diff --git a/.devcontainer/Dockerfile b/.devcontainer/Dockerfile
index 4f898b5..c88811a 100644
--- a/.devcontainer/Dockerfile
+++ b/.devcontainer/Dockerfile
@@ -1,5 +1,7 @@
 FROM ghcr.io/becksteinlab/streaming-md-docker:main-common-cpu
 
+FROM ghcr.io/becksteinlab/streaming-namd-docker:main-common-gpu
+
 COPY env.yaml env.yaml
 RUN . /opt/conda/etc/profile.d/conda.sh && \
         conda env create -n workshop --file=env.yaml
diff --git a/gromacs-demos/msd/__pycache__/dynplot.cpython-312.pyc b/gromacs-demos/msd/__pycache__/dynplot.cpython-312.pyc
new file mode 100644
index 0000000..f08f990
Binary files /dev/null and b/gromacs-demos/msd/__pycache__/dynplot.cpython-312.pyc differ
diff --git a/gromacs-demos/msd/__pycache__/vdos.cpython-312.pyc b/gromacs-demos/msd/__pycache__/vdos.cpython-312.pyc
new file mode 100644
index 0000000..70f444f
Binary files /dev/null and b/gromacs-demos/msd/__pycache__/vdos.cpython-312.pyc differ
diff --git a/gromacs-demos/msd/demo.ipynb b/gromacs-demos/msd/demo.ipynb
new file mode 100644
index 0000000..ea4aef6
--- /dev/null
+++ b/gromacs-demos/msd/demo.ipynb
@@ -0,0 +1,207 @@
+{
+ "cells": [
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "import docker\n",
+    "docker_client = docker.from_env()\n",
+    "img = docker_client.images.pull(\n",
+    "            \"ghcr.io/becksteinlab/streaming-md-docker:main-Common-CPU\"\n",
+    "        )\n",
+    "\n",
+    "container = docker_client.containers.run(\n",
+    "            img,\n",
+    "            f\"/bin/sh -c 'cd /tmp && ./run.sh'\",\n",
+    "            detach=True,\n",
+    "            volumes={\"/nfs/homes3/ljwoods2/workspace/imd-workshop-2024/gromacs-demos/distances\": {\"bind\": \"/tmp\", \"mode\": \"rw\"}},\n",
+    "            ports={\"8888/tcp\": 8888},\n",
+    "            name=\"sim\",\n",
+    "            remove=True,\n",
+    "        )"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 1,
+   "metadata": {},
+   "outputs": [
+    {
+     "name": "stderr",
+     "output_type": "stream",
+     "text": [
+      "/etc/python/sitecustomize.py:117: TqdmWarning: IProgress not found. Please update jupyter and ipywidgets. See https://ipywidgets.readthedocs.io/en/stable/user_install.html\n",
+      "  mod = _original_import(name, globals, locals, fromlist, level)\n"
+     ]
+    }
+   ],
+   "source": [
+    "import MDAnalysis as mda\n",
+    "import MDAnalysis.analysis.msd as msd\n",
+    "import MDAnalysis.transformations\n",
+    "\n",
+    "import numpy as np\n",
+    "\n",
+    "import matplotlib.pyplot as plt\n",
+    "from IPython.display import display, clear_output"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 2,
+   "metadata": {},
+   "outputs": [
+    {
+     "data": {
+      "image/png": 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",
+      "text/plain": [
+       "<Figure size 1000x600 with 1 Axes>"
+      ]
+     },
+     "metadata": {},
+     "output_type": "display_data"
+    }
+   ],
+   "source": [
+    "plt.ion()  # Turn on interactive mode\n",
+    "fig, ax = plt.subplots(figsize=(10, 6))\n",
+    "p_total, = ax.plot([], [], label='LYZ MSD')\n",
+    "ax.set_xlabel('tau (ps)', fontsize=16, fontweight='bold', color='black')\n",
+    "ax.set_ylabel('MSD (Ų)', fontsize=16, fontweight='bold', color='black')\n",
+    "#ax.set_xticklabels([])\n",
+    "#ax.set_yticklabels([])\n",
+    "ax.legend(fontsize=12)\n",
+    "plt.tight_layout()\n",
+    "#display(fig)"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "metadata": {},
+   "outputs": [
+    {
+     "data": {
+      "image/png": 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",
+      "text/plain": [
+       "<Figure size 1000x600 with 1 Axes>"
+      ]
+     },
+     "metadata": {},
+     "output_type": "display_data"
+    }
+   ],
+   "source": [
+    "try:\n",
+    "    #Connect to IMD server and set up analysis\n",
+    "    u = mda.Universe(\"mda.tpr\", \"imd://localhost:8891\")\n",
+    "    protein = u.select_atoms(\"protein\")\n",
+    "    \n",
+    "    #Create NoJump transformation\n",
+    "    nojump = mda.transformations.NoJump()\n",
+    "    \n",
+    "except Exception as e:\n",
+    "    print(f\"Error during connection: {e}\")\n",
+    "else:\n",
+    "    try:\n",
+    "        frame_count = 0\n",
+    "        dt = 5  #timestep in fs\n",
+    "        window_size = 100  #Keep exactly 100 frames\n",
+    "        \n",
+    "        # Initialize buffer as numpy array\n",
+    "        com_positions = np.zeros((window_size, 3))  #(100, 3) for x,y,z coordinates\n",
+    "        window_ready = False  #Flag to track when analysis window is ready\n",
+    "        \n",
+    "        #Pre-define tau values for plotting\n",
+    "        tau_frames = np.arange(1, window_size)\n",
+    "        tau_ps = tau_frames * dt * 1e-3  #Convert to picoseconds\n",
+    "        \n",
+    "        #Cumulative sum of MSD values for averaging\n",
+    "        msd_sum = np.zeros(window_size - 1)\n",
+    "        n_samples = 0  #Number of MSD samples collected\n",
+    "\n",
+    "        #Main analysis loop\n",
+    "        for ts in u.trajectory:\n",
+    "            try:\n",
+    "                #Apply NoJump transformation to the current timestep\n",
+    "                ts = nojump(ts)\n",
+    "                \n",
+    "                #Get center of mass of protein after NoJump\n",
+    "                com_position = protein.center_of_mass()\n",
+    "                #print(f\"Frame {frame_count}: COM position = {com_position}\")\n",
+    "                \n",
+    "                #FIFO buffer logic using np.roll\n",
+    "                com_positions = np.roll(com_positions, -1, axis=0)\n",
+    "                com_positions[-1] = com_position  #Add new position at the end\n",
+    "                #print(f\"Buffer first position: {com_positions[0]}\")\n",
+    "                #print(f\"Buffer last position: {com_positions[-1]}\")\n",
+    "                \n",
+    "                if frame_count >= window_size - 1:  #Window has enough frames\n",
+    "                    window_ready = True\n",
+    "                \n",
+    "                #Calculate MSD when window is ready\n",
+    "                if window_ready:\n",
+    "                    #Use the last frame as reference\n",
+    "                    current_pos = com_positions[-1]\n",
+    "                    \n",
+    "                    #Calculate MSD\n",
+    "                    displacements = current_pos - com_positions[:-1]  #All past positions at once\n",
+    "                    msd_values = np.sum(displacements**2, axis=1)[::-1]  #Sum across x,y,z and reverse the order of array so that MSD of lowest tau value is first\n",
+    "                    \n",
+    "                    #Add to cumulative sum\n",
+    "                    msd_sum += msd_values\n",
+    "                    n_samples += 1\n",
+    "                    \n",
+    "                    #Calculate time-averaged MSD\n",
+    "                    msd_avg = msd_sum / n_samples\n",
+    "                    \n",
+    "                    # Update plot every 100 frames\n",
+    "                    if frame_count % 100 == 0:\n",
+    "                        p_total.set_data(tau_ps, msd_avg)\n",
+    "                        ax.relim()\n",
+    "                        ax.autoscale_view()\n",
+    "                        clear_output(wait=True)\n",
+    "                        display(fig)\n",
+    "                \n",
+    "                frame_count += 1\n",
+    "                \n",
+    "            except Exception as e:\n",
+    "                print(f\"Error in frame {frame_count}: {str(e)}\")\n",
+    "                continue\n",
+    "              \n",
+    "    finally:\n",
+    "        u.trajectory.close()"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "metadata": {},
+   "outputs": [],
+   "source": []
+  }
+ ],
+ "metadata": {
+  "kernelspec": {
+   "display_name": "Python 3",
+   "language": "python",
+   "name": "python3"
+  },
+  "language_info": {
+   "codemirror_mode": {
+    "name": "ipython",
+    "version": 3
+   },
+   "file_extension": ".py",
+   "mimetype": "text/x-python",
+   "name": "python",
+   "nbconvert_exporter": "python",
+   "pygments_lexer": "ipython3",
+   "version": "3.13.7"
+  }
+ },
+ "nbformat": 4,
+ "nbformat_minor": 2
+}
diff --git a/gromacs-demos/msd/demo.py b/gromacs-demos/msd/demo.py
new file mode 100644
index 0000000..c0381f8
--- /dev/null
+++ b/gromacs-demos/msd/demo.py
@@ -0,0 +1,40 @@
+from imdclient.IMDREADER import IMDReader
+import numpy as np
+import MDAnalysis as mda
+import logging
+import dynplot as dyn
+import vdos as vd
+import time as t
+
+# %%
+logger = logging.getLogger("imdclient.IMDClient")
+file_handler = logging.FileHandler("imdreader.log")
+formatter = logging.Formatter(
+    "%(asctime)s - %(name)s - %(levelname)s - %(message)s"
+)
+file_handler.setFormatter(formatter)
+logger.addHandler(file_handler)
+logger.setLevel(logging.INFO)
+
+# %%
+u = mda.Universe("mda.tpr", "imd://localhost:8888",buffersize = 10*1024*1024)
+sel = u.select_atoms("resname SOL")
+vdos = vd.vdos(sel,200)
+
+vd.vdosLib.omp_set_num_threads(2)
+tStep = 0
+for ts in u.trajectory:
+    vdos.single_frame(tStep,ts.time)
+    if tStep == 0:
+        d = dyn.dynamicPlot([0,1000],"wavenumber (cm^-1)",[0,12000],"VDoS (arb. u.)","")
+    elif tStep % 200 == 0:
+        vdos.copyResidueList()
+        vdos.postProcess(vdos.residueListCopy,mode = "total+single")
+        total = np.array(vdos.totVDoS[0])
+        single = np.array(vdos.totVDoS[1])
+        d.update(vdos.wavenumber, total, single)
+    tStep += 1
+# %%
+logger.info(f"Parsed {tStep} frames")
+
+
diff --git a/gromacs-demos/msd/dynplot.py b/gromacs-demos/msd/dynplot.py
new file mode 100644
index 0000000..54dc731
--- /dev/null
+++ b/gromacs-demos/msd/dynplot.py
@@ -0,0 +1,35 @@
+import matplotlib.pyplot as plt
+import seaborn as sns
+sns.set_theme()
+plt.ion()
+
+class dynamicPlot:
+    def __init__(self,xRange,xLabel,yRange,yLabel,title):
+        self.xRange = xRange
+        self.xLabel = xLabel
+        self.yRange = yRange
+        self.yLabel = yLabel
+        self.title = title
+        self.prepare()
+
+    def prepare(self):
+        #Set up plot
+        self.figure, self.ax = plt.subplots()
+        self.l1, = self.ax.plot([],[], color = "red", linewidth = 2.0, label = "total")
+        self.l2, = self.ax.plot([],[], color = "blue", linewidth = 2.0, label = "single molecule")
+        self.ax.set_xlim(self.xRange[0], self.xRange[1])
+        self.ax.set_ylim(self.yRange[0], self.yRange[1])
+        self.ax.set_xlabel(self.xLabel)
+        self.ax.set_ylabel(self.yLabel)
+        self.ax.set_title(self.title)
+        self.ax.legend()
+
+    def update(self, xData, yData1, yData2):
+        #Update data (with the new _and_ the old points)
+        self.l1.set_xdata(xData)
+        self.l1.set_ydata(yData1)
+        self.l2.set_xdata(xData)
+        self.l2.set_ydata(yData2)
+        #We need to draw *and* flush
+        self.figure.canvas.draw()
+        self.figure.canvas.flush_events()
diff --git a/gromacs-demos/msd/imd.mdp b/gromacs-demos/msd/imd.mdp
new file mode 100644
index 0000000..c827627
--- /dev/null
+++ b/gromacs-demos/msd/imd.mdp
@@ -0,0 +1,57 @@
+title                   = PRODUCTION IN NPT
+; Run parameters
+integrator              = md        ; leap-frog integrator
+nsteps                  = 25000     ; 1 * 25000 = 25 ps
+dt                      = 0.001     ; 1 fs
+; Output control
+nstxout                 = 5000      ; save coordinates every 5 ps
+nstvout                 = 5000      ; save velocities every 5 ps
+nstenergy               = 5000      ; save energies every 5 ps
+nstlog                  = 5000      ; update log file every 5 ps
+; Center of mass (COM) motion
+nstcomm                 = 10        ; remove COM motion every 10 steps
+comm-mode               = Linear    ; remove only COM translation (liquids in PBC) 
+; Bond parameters
+continuation            = yes       ; first dynamics run
+constraint_algorithm    = lincs     ; holonomic constraints
+constraints             = all-bonds ; all bonds lengths are constrained
+lincs_iter              = 1         ; accuracy of LINCS
+lincs_order             = 4         ; also related to accuracy
+; Nonbonded settings
+cutoff-scheme           = Verlet    ; Buffered neighbor searching
+ns_type                 = grid      ; search neighboring grid cells
+nstlist                 = 10        ; 10 fs, largely irrelevant with Verlet
+rcoulomb                = 1.0       ; short-range electrostatic cutoff (in nm)
+rvdw                    = 1.0       ; short-range van der Waals cutoff (in nm)
+DispCorr                = EnerPres  ; account for cut-off vdW scheme
+; Electrostatics
+coulombtype             = PME       ; Particle Mesh Ewald for long-range electrostatics
+pme_order               = 4         ; cubic interpolation
+fourierspacing          = 0.12      ; grid spacing for FFT
+; Temperature coupling is on
+tcoupl                  = Nose-Hoover       ; good for production, after equilibration
+; we define separate thermostats for the solute and solvent (need to adapt)
+; see default groups defined by Gromacs for your system or define your own (make_ndx)
+tc-grps                 = Protein  non-Protein  ; the separate groups for the thermostats
+tau-t                   = 1.0      1.0      ; time constants for thermostats (ps)
+ref-t                   = 300      300      ; reference temperature for thermostats (K)
+; Pressure coupling is off
+pcoupl                  = Parrinello-Rahman ; good for production, after equilibration
+tau-p                   = 2.0               ; time constant for barostat (ps)
+compressibility         = 4.5e-5            ; compressibility (1/bar) set to water at ~300K
+ref-p                   = 1.0               ; reference pressure for barostat (bar)
+; Periodic boundary conditions
+pbc                     = xyz       ; 3-D PBC
+; Velocity generation
+gen_vel                 = no
+; IMD group
+IMD-group               = System
+IMD-version             = 3
+IMD-nst                 = 5
+IMD-time                = yes
+IMD-box                 = yes
+IMD-coords              = yes
+IMD-unwrap              = yes
+IMD-forces              = no
+IMD-vels                = yes
+IMD-energies            = no
diff --git a/gromacs-demos/msd/imdreader.log b/gromacs-demos/msd/imdreader.log
new file mode 100644
index 0000000..5154a49
--- /dev/null
+++ b/gromacs-demos/msd/imdreader.log
@@ -0,0 +1,139 @@
+2024-11-14 11:29:27,762 - imdclient.IMDClient - INFO - Parsed 63 frames
+2024-11-14 11:31:10,543 - imdclient.IMDClient - INFO - Parsed 200 frames
+2024-11-14 11:56:53,090 - imdclient.IMDClient - INFO - Parsed 1032 frames
+2024-11-14 11:56:53,090 - imdclient.IMDClient - INFO - Parsed 1032 frames
+2024-11-14 11:56:53,090 - imdclient.IMDClient - INFO - Parsed 1032 frames
+2024-11-14 12:14:45,608 - imdclient.IMDClient - INFO - Parsed 3126 frames
+2024-11-15 11:26:42,832 - imdclient.IMDClient - INFO - Parsed 242 frames
+2024-11-15 11:29:59,980 - imdclient.IMDClient - INFO - Parsed 368 frames
+2024-11-15 11:29:59,980 - imdclient.IMDClient - INFO - Parsed 368 frames
+2024-11-19 11:40:03,661 - imdclient.IMDClient - INFO - Parsed 3126 frames
+2024-11-20 11:23:33,248 - imdclient.IMDClient - INFO - Parsed 658 frames
+2024-11-20 17:47:37,419 - imdclient.IMDClient - INFO - Parsed 950 frames
+2024-11-20 17:49:17,983 - imdclient.IMDClient - INFO - Parsed 9 frames
+2024-11-20 17:49:17,983 - imdclient.IMDClient - INFO - Parsed 9 frames
+2024-11-20 17:50:29,314 - imdclient.IMDClient - INFO - Parsed 487 frames
+2024-11-20 17:50:29,314 - imdclient.IMDClient - INFO - Parsed 487 frames
+2024-11-20 17:50:29,314 - imdclient.IMDClient - INFO - Parsed 487 frames
+2024-11-20 17:51:10,677 - imdclient.IMDClient - INFO - Parsed 287 frames
+2024-11-20 17:51:10,677 - imdclient.IMDClient - INFO - Parsed 287 frames
+2024-11-20 17:51:10,677 - imdclient.IMDClient - INFO - Parsed 287 frames
+2024-11-20 17:51:10,677 - imdclient.IMDClient - INFO - Parsed 287 frames
+2024-11-20 17:51:47,083 - imdclient.IMDClient - INFO - Parsed 259 frames
+2024-11-20 17:51:47,083 - imdclient.IMDClient - INFO - Parsed 259 frames
+2024-11-20 17:51:47,083 - imdclient.IMDClient - INFO - Parsed 259 frames
+2024-11-20 17:51:47,083 - imdclient.IMDClient - INFO - Parsed 259 frames
+2024-11-20 17:51:47,083 - imdclient.IMDClient - INFO - Parsed 259 frames
+2024-11-20 17:58:52,086 - imdclient.IMDClient - INFO - Parsed 118 frames
+2024-11-20 18:00:27,665 - imdclient.IMDClient - INFO - Parsed 255 frames
+2024-11-20 18:00:27,665 - imdclient.IMDClient - INFO - Parsed 255 frames
+2024-11-20 18:09:20,440 - imdclient.IMDClient - INFO - Parsed 1 frames
+2024-11-20 18:09:47,407 - imdclient.IMDClient - INFO - Parsed 3 frames
+2024-11-20 18:09:47,407 - imdclient.IMDClient - INFO - Parsed 3 frames
+2024-11-20 18:39:34,249 - imdclient.IMDClient - INFO - Parsed 138 frames
+2024-11-20 18:41:00,368 - imdclient.IMDClient - INFO - Parsed 309 frames
+2024-11-20 18:41:00,368 - imdclient.IMDClient - INFO - Parsed 309 frames
+2024-11-20 18:41:53,435 - imdclient.IMDClient - INFO - Parsed 178 frames
+2024-11-20 18:41:53,435 - imdclient.IMDClient - INFO - Parsed 178 frames
+2024-11-20 18:41:53,435 - imdclient.IMDClient - INFO - Parsed 178 frames
+2024-11-20 18:43:04,857 - imdclient.IMDClient - INFO - Parsed 208 frames
+2024-11-20 18:43:04,857 - imdclient.IMDClient - INFO - Parsed 208 frames
+2024-11-20 18:43:04,857 - imdclient.IMDClient - INFO - Parsed 208 frames
+2024-11-20 18:43:04,857 - imdclient.IMDClient - INFO - Parsed 208 frames
+2024-11-20 18:54:00,943 - imdclient.IMDClient - INFO - Parsed 778 frames
+2024-11-20 18:56:25,123 - imdclient.IMDClient - INFO - Parsed 373 frames
+2024-11-20 18:56:25,123 - imdclient.IMDClient - INFO - Parsed 373 frames
+2024-11-20 18:57:46,316 - imdclient.IMDClient - INFO - Parsed 26 frames
+2024-11-20 18:57:46,316 - imdclient.IMDClient - INFO - Parsed 26 frames
+2024-11-20 18:57:46,316 - imdclient.IMDClient - INFO - Parsed 26 frames
+2024-11-20 18:58:58,910 - imdclient.IMDClient - INFO - Parsed 247 frames
+2024-11-20 18:58:58,910 - imdclient.IMDClient - INFO - Parsed 247 frames
+2024-11-20 18:58:58,910 - imdclient.IMDClient - INFO - Parsed 247 frames
+2024-11-20 18:58:58,910 - imdclient.IMDClient - INFO - Parsed 247 frames
+2024-11-20 19:10:17,605 - imdclient.IMDClient - INFO - Parsed 3126 frames
+2024-11-20 19:10:17,605 - imdclient.IMDClient - INFO - Parsed 3126 frames
+2024-11-20 19:10:17,605 - imdclient.IMDClient - INFO - Parsed 3126 frames
+2024-11-20 19:10:17,605 - imdclient.IMDClient - INFO - Parsed 3126 frames
+2024-11-20 19:10:17,605 - imdclient.IMDClient - INFO - Parsed 3126 frames
+2024-11-20 19:11:29,729 - imdclient.IMDClient - INFO - Parsed 44 frames
+2024-11-20 19:11:29,729 - imdclient.IMDClient - INFO - Parsed 44 frames
+2024-11-20 19:11:29,729 - imdclient.IMDClient - INFO - Parsed 44 frames
+2024-11-20 19:11:29,729 - imdclient.IMDClient - INFO - Parsed 44 frames
+2024-11-20 19:11:29,729 - imdclient.IMDClient - INFO - Parsed 44 frames
+2024-11-20 19:11:29,729 - imdclient.IMDClient - INFO - Parsed 44 frames
+2024-11-20 19:20:41,617 - imdclient.IMDClient - INFO - Parsed 3082 frames
+2024-11-20 19:20:41,617 - imdclient.IMDClient - INFO - Parsed 3082 frames
+2024-11-20 19:20:41,617 - imdclient.IMDClient - INFO - Parsed 3082 frames
+2024-11-20 19:20:41,617 - imdclient.IMDClient - INFO - Parsed 3082 frames
+2024-11-20 19:20:41,617 - imdclient.IMDClient - INFO - Parsed 3082 frames
+2024-11-20 19:20:41,617 - imdclient.IMDClient - INFO - Parsed 3082 frames
+2024-11-20 19:20:41,617 - imdclient.IMDClient - INFO - Parsed 3082 frames
+2024-11-20 20:14:15,389 - imdclient.IMDClient - INFO - Parsed 303 frames
+2024-11-20 20:14:15,389 - imdclient.IMDClient - INFO - Parsed 303 frames
+2024-11-20 20:14:15,389 - imdclient.IMDClient - INFO - Parsed 303 frames
+2024-11-20 20:14:15,389 - imdclient.IMDClient - INFO - Parsed 303 frames
+2024-11-20 20:14:15,389 - imdclient.IMDClient - INFO - Parsed 303 frames
+2024-11-20 20:20:25,324 - imdclient.IMDClient - INFO - Parsed 337 frames
+2024-11-20 20:23:04,235 - imdclient.IMDClient - INFO - Parsed 105 frames
+2024-11-20 20:23:04,235 - imdclient.IMDClient - INFO - Parsed 105 frames
+2024-11-20 20:25:14,369 - imdclient.IMDClient - INFO - Parsed 106 frames
+2024-11-20 20:25:14,369 - imdclient.IMDClient - INFO - Parsed 106 frames
+2024-11-20 20:25:14,369 - imdclient.IMDClient - INFO - Parsed 106 frames
+2024-11-20 20:26:32,546 - imdclient.IMDClient - INFO - Parsed 76 frames
+2024-11-20 20:26:32,546 - imdclient.IMDClient - INFO - Parsed 76 frames
+2024-11-20 20:26:32,546 - imdclient.IMDClient - INFO - Parsed 76 frames
+2024-11-20 20:26:32,546 - imdclient.IMDClient - INFO - Parsed 76 frames
+2024-11-20 20:32:05,845 - imdclient.IMDClient - INFO - Parsed 608 frames
+2024-11-20 20:32:43,482 - imdclient.IMDClient - INFO - Parsed 455 frames
+2024-11-20 20:32:43,482 - imdclient.IMDClient - INFO - Parsed 455 frames
+2024-11-20 20:33:42,577 - imdclient.IMDClient - INFO - Parsed 446 frames
+2024-11-20 20:33:42,577 - imdclient.IMDClient - INFO - Parsed 446 frames
+2024-11-20 20:33:42,577 - imdclient.IMDClient - INFO - Parsed 446 frames
+2024-11-20 20:39:16,276 - imdclient.IMDClient - INFO - Parsed 522 frames
+2024-11-20 20:39:42,412 - imdclient.IMDClient - INFO - Parsed 260 frames
+2024-11-20 20:39:42,412 - imdclient.IMDClient - INFO - Parsed 260 frames
+2024-11-21 06:49:48,501 - imdclient.IMDClient - INFO - Parsed 1913 frames
+2024-11-21 06:55:35,490 - imdclient.IMDClient - INFO - Parsed 844 frames
+2024-11-21 06:56:13,066 - imdclient.IMDClient - INFO - Parsed 103 frames
+2024-11-21 06:56:13,066 - imdclient.IMDClient - INFO - Parsed 103 frames
+2024-11-21 06:57:09,594 - imdclient.IMDClient - INFO - Parsed 604 frames
+2024-11-21 06:57:09,594 - imdclient.IMDClient - INFO - Parsed 604 frames
+2024-11-21 06:57:09,594 - imdclient.IMDClient - INFO - Parsed 604 frames
+2024-11-21 06:57:09,594 - imdclient.IMDClient - INFO - Parsed 604 frames
+2024-11-21 07:13:06,546 - imdclient.IMDClient - INFO - Parsed 171 frames
+2024-11-21 07:13:06,546 - imdclient.IMDClient - INFO - Parsed 171 frames
+2024-11-21 07:13:06,546 - imdclient.IMDClient - INFO - Parsed 171 frames
+2024-11-21 07:13:06,546 - imdclient.IMDClient - INFO - Parsed 171 frames
+2024-11-21 07:13:06,546 - imdclient.IMDClient - INFO - Parsed 171 frames
+2024-11-21 07:32:22,935 - imdclient.IMDClient - INFO - Parsed 448 frames
+2024-11-21 07:32:22,935 - imdclient.IMDClient - INFO - Parsed 448 frames
+2024-11-21 07:32:22,935 - imdclient.IMDClient - INFO - Parsed 448 frames
+2024-11-21 07:32:22,935 - imdclient.IMDClient - INFO - Parsed 448 frames
+2024-11-21 07:32:22,935 - imdclient.IMDClient - INFO - Parsed 448 frames
+2024-11-21 07:32:22,935 - imdclient.IMDClient - INFO - Parsed 448 frames
+2024-11-21 07:43:08,295 - imdclient.IMDClient - INFO - Parsed 104 frames
+2024-11-21 07:43:08,295 - imdclient.IMDClient - INFO - Parsed 104 frames
+2024-11-21 07:43:08,295 - imdclient.IMDClient - INFO - Parsed 104 frames
+2024-11-21 07:43:08,295 - imdclient.IMDClient - INFO - Parsed 104 frames
+2024-11-21 07:43:08,295 - imdclient.IMDClient - INFO - Parsed 104 frames
+2024-11-21 07:43:08,295 - imdclient.IMDClient - INFO - Parsed 104 frames
+2024-11-21 07:43:08,295 - imdclient.IMDClient - INFO - Parsed 104 frames
+2024-11-21 07:43:41,155 - imdclient.IMDClient - INFO - Parsed 281 frames
+2024-11-21 07:43:41,155 - imdclient.IMDClient - INFO - Parsed 281 frames
+2024-11-21 07:43:41,155 - imdclient.IMDClient - INFO - Parsed 281 frames
+2024-11-21 07:43:41,155 - imdclient.IMDClient - INFO - Parsed 281 frames
+2024-11-21 07:43:41,155 - imdclient.IMDClient - INFO - Parsed 281 frames
+2024-11-21 07:43:41,155 - imdclient.IMDClient - INFO - Parsed 281 frames
+2024-11-21 07:43:41,155 - imdclient.IMDClient - INFO - Parsed 281 frames
+2024-11-21 07:43:41,155 - imdclient.IMDClient - INFO - Parsed 281 frames
+2024-11-21 08:08:23,598 - imdclient.IMDClient - INFO - Parsed 794 frames
+2024-11-21 08:08:23,598 - imdclient.IMDClient - INFO - Parsed 794 frames
+2024-11-21 08:08:23,598 - imdclient.IMDClient - INFO - Parsed 794 frames
+2024-11-21 08:08:23,598 - imdclient.IMDClient - INFO - Parsed 794 frames
+2024-11-21 08:08:23,598 - imdclient.IMDClient - INFO - Parsed 794 frames
+2024-11-21 08:08:23,598 - imdclient.IMDClient - INFO - Parsed 794 frames
+2024-11-21 08:08:23,598 - imdclient.IMDClient - INFO - Parsed 794 frames
+2024-11-21 08:08:23,598 - imdclient.IMDClient - INFO - Parsed 794 frames
+2024-11-21 08:08:23,598 - imdclient.IMDClient - INFO - Parsed 794 frames
+2024-11-21 08:23:24,180 - imdclient.IMDClient - INFO - Parsed 3126 frames
+2024-11-21 08:37:03,919 - imdclient.IMDClient - INFO - Parsed 3126 frames
diff --git a/gromacs-demos/msd/mda.tpr b/gromacs-demos/msd/mda.tpr
new file mode 100644
index 0000000..5ccebca
Binary files /dev/null and b/gromacs-demos/msd/mda.tpr differ
diff --git a/gromacs-demos/msd/run.sh b/gromacs-demos/msd/run.sh
new file mode 100644
index 0000000..d1db02d
--- /dev/null
+++ b/gromacs-demos/msd/run.sh
@@ -0,0 +1,30 @@
+#!/bin/bash
+
+echo "setting GROMACS version"
+source /scratch/hcho96/Research/imd-v3/gromacs-imd-v3/bin/GMXRC
+
+#if [ ! -f libvdos.so ]; then
+#echo "compiling C libraries"
+#gcc -O3 -fopenmp -fpic -lgsl -lgslcblas -c vdos.c
+#gcc -L/home/hcho96/.conda/envs/imdreader-test/lib -I/home/hcho96/.conda/envs/imdreader-test/include -O3 -fopenmp -fpic -lgsl -lgslcblas -c vdos.c
+#gcc -shared -lgomp -lgsl -lgslcblas vdos.o -o libvdos.so
+#gcc -L/home/hcho96/.conda/envs/imdreader-test/lib -I/home/hcho96/.conda/envs/imdreader-test/include -shared -lgomp -lgsl -lgslcblas vdos.o -o libvdos.so
+#fi
+
+mkdir -p imd
+cd imd
+if [ ! -f topol.tpr ]; then
+echo "running grompp"
+gmx grompp -f ../imd.mdp -c ../start.gro -p ../topol.top -o >& grompp.out
+fi
+echo "starting mdrun"
+echo ""
+echo "**************************************************************"
+echo "wait a few seconds, then:"
+echo "run (in separate terminal): python demo.py"
+echo "**************************************************************"
+echo ""
+# modify gromacs execution string according to available resources
+# here we use 2 parallel threads
+gmx mdrun -v -nt 12 -imdwait -imdport 8891
+cd ..
diff --git a/gromacs-demos/msd/start.gro b/gromacs-demos/msd/start.gro
new file mode 100644
index 0000000..40a9dec
--- /dev/null
+++ b/gromacs-demos/msd/start.gro
@@ -0,0 +1,50789 @@
+HEN EGG WHITE LYSOZYME in water
+50786
+    1LYS      N    1   4.400   2.940   3.103 -0.0153 -0.5436 -0.3946
+    1LYS     H1    2   4.385   2.979   3.194 -0.3971 -0.7385 -0.3734
+    1LYS     H2    3   4.405   2.839   3.098  0.4195 -0.5513  0.2184
+    1LYS     H3    4   4.486   2.978   3.065 -1.4100  1.4715 -1.6256
+    1LYS     CA    5   4.305   2.988   3.002 -0.2475  0.1503  0.1539
+    1LYS     HA    6   4.318   2.933   2.909  1.4005 -2.0418  1.6538
+    1LYS     CB    7   4.168   2.951   3.059 -0.1617  0.4389  0.5488
+    1LYS    HB1    8   4.156   2.993   3.159  0.3583  0.0112  0.7925
+    1LYS    HB2    9   4.154   2.844   3.070  0.2590  0.4387  1.0637
+    1LYS     CG   10   4.054   3.000   2.969  0.0376  0.0612  0.0877
+    1LYS    HG1   11   4.081   2.973   2.867  2.5582 -1.8496  1.1877
+    1LYS    HG2   12   4.042   3.107   2.983 -0.7496  0.2703 -2.1137
+    1LYS     CD   13   3.912   2.946   2.987  0.0448 -0.1312 -0.4205
+    1LYS    HD1   14   3.877   2.969   3.088 -1.3276 -0.1073 -0.8935
+    1LYS    HD2   15   3.902   2.839   2.975 -1.5282 -0.0075 -0.3181
+    1LYS     CE   16   3.818   2.997   2.878 -0.1378 -0.3268 -0.3541
+    1LYS    HE1   17   3.845   2.950   2.784  0.4382  0.1159 -0.4135
+    1LYS    HE2   18   3.842   3.102   2.865 -2.4036 -0.0489 -2.4163
+    1LYS     NZ   19   3.677   2.976   2.913  0.0140 -0.2736  0.2921
+    1LYS    HZ1   20   3.664   2.877   2.900  0.6212 -0.4987  1.2738
+    1LYS    HZ2   21   3.658   2.997   3.010 -0.1461 -0.8465  0.3879
+    1LYS    HZ3   22   3.611   3.018   2.849 -0.4183  0.2144  1.0493
+    1LYS      C   23   4.328   3.137   2.979  0.2817 -0.0215 -0.4537
+    1LYS      O   24   4.324   3.214   3.075 -0.2122 -0.0561 -0.4440
+    2VAL      N   25   4.329   3.181   2.853  0.3383  0.1731 -0.3868
+    2VAL      H   26   4.292   3.114   2.787 -0.1627  2.7018 -2.7286
+    2VAL     CA   27   4.310   3.322   2.824 -0.0137  0.1851 -0.1089
+    2VAL     HA   28   4.328   3.373   2.919 -0.2503  2.0987 -1.0711
+    2VAL     CB   29   4.415   3.380   2.729 -0.0421  0.0907 -0.1974
+    2VAL     HB   30   4.394   3.347   2.628 -0.1365  0.2757 -0.2376
+    2VAL    CG1   31   4.417   3.532   2.729  0.6542  0.0818 -0.5473
+    2VAL   HG11   32   4.485   3.568   2.653 -0.7550  2.2094 -0.8400
+    2VAL   HG12   33   4.323   3.574   2.693 -0.9964 -2.4867  0.5753
+    2VAL   HG13   34   4.451   3.583   2.820 -0.0390  0.9143 -0.7489
+    2VAL    CG2   35   4.554   3.328   2.764  0.1727  0.4443 -0.5238
+    2VAL   HG21   36   4.570   3.345   2.870  0.9195 -0.3801 -0.4945
+    2VAL   HG22   37   4.563   3.220   2.748 -1.4336 -0.1510  2.2182
+    2VAL   HG23   38   4.627   3.381   2.703  1.3474 -1.9061 -1.2107
+    2VAL      C   39   4.168   3.348   2.778  0.2373  0.6156 -0.6431
+    2VAL      O   40   4.125   3.302   2.672  0.3254 -0.3351 -0.2728
+    3PHE      N   41   4.088   3.412   2.864 -0.3054 -0.3490 -0.4190
+    3PHE      H   42   4.133   3.446   2.949 -2.4168  1.7973 -0.1164
+    3PHE     CA   43   3.957   3.460   2.828 -0.3999 -0.5409 -0.3308
+    3PHE     HA   44   3.899   3.375   2.790 -1.3298 -0.0495 -0.0380
+    3PHE     CB   45   3.885   3.509   2.953  0.1360 -0.2664 -0.1316
+    3PHE    HB1   46   3.805   3.573   2.917  0.1714 -0.0111  0.2442
+    3PHE    HB2   47   3.949   3.566   3.021 -1.7502  1.0564  0.5516
+    3PHE     CG   48   3.832   3.403   3.047  0.0059 -0.4895 -0.4568
+    3PHE    CD1   49   3.912   3.342   3.145 -0.1819 -0.1908 -0.1157
+    3PHE    HD1   50   4.012   3.379   3.164 -1.0463  1.7860  0.6851
+    3PHE    CE1   51   3.865   3.236   3.223 -0.3358 -0.2256 -0.2547
+    3PHE    HE1   52   3.917   3.197   3.310 -1.2275  4.3463  2.5066
+    3PHE     CZ   53   3.731   3.201   3.204 -0.4810  0.0538  0.2468
+    3PHE     HZ   54   3.687   3.117   3.256 -0.7658 -0.6486 -1.1119
+    3PHE    CE2   55   3.641   3.269   3.121 -0.3132 -0.1609 -0.1094
+    3PHE    HE2   56   3.538   3.243   3.103 -0.5208  0.6341 -0.0515
+    3PHE    CD2   57   3.697   3.368   3.039 -0.0493 -0.3497 -0.1579
+    3PHE    HD2   58   3.638   3.397   2.954 -1.1031 -0.5093  0.5136
+    3PHE      C   59   3.959   3.571   2.724 -0.2368 -0.0961  0.1484
+    3PHE      O   60   4.046   3.658   2.720 -0.6147  0.2700 -0.2340
+    4GLY      N   61   3.861   3.565   2.634  0.0546 -0.2022 -0.1649
+    4GLY      H   62   3.808   3.479   2.644  4.0068 -2.5730  1.3760
+    4GLY     CA   63   3.799   3.672   2.559  0.0608  0.3000  0.5415
+    4GLY    HA1   64   3.726   3.634   2.487  0.4735  0.5924 -0.0280
+    4GLY    HA2   65   3.874   3.728   2.504 -0.3253  1.7648  1.4611
+    4GLY      C   66   3.727   3.774   2.647 -0.3811  0.0416  0.4807
+    4GLY      O   67   3.693   3.744   2.761 -0.3006  0.3149  0.5770
+    5ARG      N   68   3.705   3.895   2.597  0.8462  0.0735 -0.0084
+    5ARG      H   69   3.744   3.916   2.506 -0.3535  1.8770 -0.1319
+    5ARG     CA   70   3.652   4.009   2.670  0.0709 -0.3544  0.1070
+    5ARG     HA   71   3.702   4.006   2.767  0.7226  1.4626 -0.1462
+    5ARG     CB   72   3.681   4.134   2.588  0.3171  0.0517  0.8074
+    5ARG    HB1   73   3.622   4.119   2.497  2.2519  0.1621 -0.4961
+    5ARG    HB2   74   3.787   4.133   2.561  0.2173 -0.0613  0.4114
+    5ARG     CG   75   3.641   4.268   2.649  0.0715  0.3818 -0.0625
+    5ARG    HG1   76   3.711   4.298   2.727 -1.8237  0.1618  1.7651
+    5ARG    HG2   77   3.545   4.256   2.698 -0.0406  3.0078  0.4380
+    5ARG     CD   78   3.644   4.395   2.566  0.2876  0.2479 -0.2601
+    5ARG    HD1   79   3.745   4.418   2.531 -0.0852 -1.3973 -2.5864
+    5ARG    HD2   80   3.605   4.481   2.621  1.7857  0.3001  0.7475
+    5ARG     NE   81   3.574   4.379   2.438 -0.1642  0.4140 -0.0340
+    5ARG     HE   82   3.624   4.355   2.354 -0.2229 -1.1533  0.3791
+    5ARG     CZ   83   3.446   4.412   2.416 -0.3189 -0.1040  0.0888
+    5ARG    NH1   84   3.368   4.449   2.518 -0.3066  0.4119 -0.0861
+    5ARG   HH11   85   3.391   4.454   2.616  0.5067  1.3180 -0.3141
+    5ARG   HH12   86   3.275   4.474   2.487 -0.7419 -1.2641 -0.1557
+    5ARG    NH2   87   3.376   4.402   2.302 -0.0344 -0.1642 -0.0800
+    5ARG   HH21   88   3.400   4.340   2.226 -1.7485 -1.9825  0.8309
+    5ARG   HH22   89   3.281   4.436   2.298 -1.6029 -4.0158  1.7882
+    5ARG      C   90   3.505   3.986   2.703  0.0334 -0.3488 -0.0527
+    5ARG      O   91   3.471   4.004   2.820  0.0514  0.3415 -0.1572
+    6CYS      N   92   3.420   3.943   2.609  0.1598 -0.5139 -0.0925
+    6CYS      H   93   3.467   3.911   2.526 -1.5685  2.2086 -2.1713
+    6CYS     CA   94   3.279   3.914   2.620  0.0983 -0.1142  0.2121
+    6CYS     HA   95   3.227   3.990   2.678 -1.2091 -0.7151 -0.1507
+    6CYS     CB   96   3.213   3.910   2.482 -0.3425  0.7277  0.3950
+    6CYS    HB1   97   3.120   3.854   2.485  0.1384 -0.0290  2.2071
+    6CYS    HB2   98   3.268   3.834   2.425 -1.0900  1.8741 -1.9093
+    6CYS     SG   99   3.214   4.063   2.386 -0.3474  0.3204 -0.2559
+    6CYS      C  100   3.258   3.783   2.695  0.3075  0.1945  0.8084
+    6CYS      O  101   3.166   3.776   2.777 -0.4068  0.1936  0.0201
+    7GLU      N  102   3.340   3.682   2.669 -0.8719 -0.6373  0.2639
+    7GLU      H  103   3.402   3.697   2.590 -1.0084 -2.3151 -0.1819
+    7GLU     CA  104   3.343   3.551   2.731  0.0382 -0.5604  0.3907
+    7GLU     HA  105   3.245   3.508   2.713  0.4858 -1.0268 -0.9857
+    7GLU     CB  106   3.453   3.466   2.666  0.2286  0.0578 -0.1028
+    7GLU    HB1  107   3.549   3.515   2.679  0.8621 -1.1130 -0.3874
+    7GLU    HB2  108   3.434   3.449   2.560  2.8302  0.8082 -0.7099
+    7GLU     CG  109   3.464   3.332   2.738  0.2305  0.3471  0.4460
+    7GLU    HG1  110   3.369   3.278   2.734 -2.0013  4.0033  1.4718
+    7GLU    HG2  111   3.478   3.341   2.845  1.2923  1.0800  0.2495
+    7GLU     CD  112   3.575   3.242   2.686 -0.2392 -0.1589  0.3125
+    7GLU    OE1  113   3.677   3.290   2.633 -0.3118 -0.3528 -0.0017
+    7GLU    OE2  114   3.562   3.119   2.705  0.1283 -0.1475  0.6531
+    7GLU      C  115   3.358   3.572   2.881 -0.5349  0.4017  0.3171
+    7GLU      O  116   3.285   3.512   2.959 -0.2971 -0.3644 -0.0421
+    8LEU      N  117   3.449   3.660   2.923 -0.6362  0.6184  0.0822
+    8LEU      H  118   3.506   3.714   2.860 -2.1850  2.3235  0.0966
+    8LEU     CA  119   3.463   3.681   3.066 -0.3798  0.1582  0.1247
+    8LEU     HA  120   3.464   3.580   3.108 -0.5826 -0.6337 -1.7433
+    8LEU     CB  121   3.599   3.748   3.080 -0.3704  0.1536  0.0565
+    8LEU    HB1  122   3.614   3.841   3.026 -0.2073 -0.9842 -1.8879
+    8LEU    HB2  123   3.675   3.680   3.040 -0.9640 -0.5288  0.0798
+    8LEU     CG  124   3.642   3.772   3.225  0.7125  0.2420 -0.2728
+    8LEU     HG  125   3.573   3.844   3.269  0.0292  0.2922 -1.4098
+    8LEU    CD1  126   3.629   3.640   3.300  0.6878  0.1361 -0.4632
+    8LEU   HD11  127   3.686   3.655   3.392 -1.3270 -0.1427  0.8660
+    8LEU   HD12  128   3.524   3.625   3.326  0.4519  0.7517 -1.0614
+    8LEU   HD13  129   3.678   3.560   3.244  1.9469  0.8947 -0.4573
+    8LEU    CD2  130   3.785   3.823   3.238  0.7629 -0.1308  0.6750
+    8LEU   HD21  131   3.797   3.910   3.173  0.9989 -0.2074  0.6158
+    8LEU   HD22  132   3.808   3.857   3.339  0.3293  0.6010  0.5294
+    8LEU   HD23  133   3.860   3.752   3.203  2.2730  1.9621 -0.4492
+    8LEU      C  134   3.351   3.762   3.130 -0.5111 -0.0868  0.2065
+    8LEU      O  135   3.318   3.734   3.245  0.1788  0.0315  0.4348
+    9ALA      N  136   3.306   3.864   3.057  0.1209 -0.1046 -0.2103
+    9ALA      H  137   3.344   3.883   2.965  0.6812 -0.8574 -0.1427
+    9ALA     CA  138   3.188   3.932   3.107  0.0015  0.0825 -0.7442
+    9ALA     HA  139   3.220   3.989   3.194  2.1405 -0.2774 -1.2532
+    9ALA     CB  140   3.137   4.033   3.005 -0.6063  0.5010 -0.0282
+    9ALA    HB1  141   3.214   4.110   2.994 -0.4613  0.8101  2.7628
+    9ALA    HB2  142   3.108   3.985   2.911 -1.5293  0.4806  0.2704
+    9ALA    HB3  143   3.047   4.083   3.040  0.1717  1.5658  0.4869
+    9ALA      C  144   3.074   3.836   3.136  0.2271  0.0678  0.0965
+    9ALA      O  145   3.035   3.833   3.253  0.0158  0.1564  0.0298
+   10ALA      N  146   3.032   3.759   3.035 -0.4732  0.0903  0.3674
+   10ALA      H  147   3.074   3.766   2.944 -1.0787  0.3577  0.1006
+   10ALA     CA  148   2.930   3.657   3.044 -0.4764  0.0618  0.0179
+   10ALA     HA  149   2.842   3.713   3.078 -0.6932 -0.4615  0.3271
+   10ALA     CB  150   2.900   3.601   2.905 -0.3251  0.2917 -0.1064
+   10ALA    HB1  151   2.846   3.672   2.843 -0.4092 -0.1142 -0.4964
+   10ALA    HB2  152   2.992   3.561   2.862 -1.0289  0.6903 -2.0011
+   10ALA    HB3  153   2.832   3.518   2.923  0.3492 -0.0648  0.8734
+   10ALA      C  154   2.959   3.565   3.162  0.1999  0.4399  0.1443
+   10ALA      O  155   2.869   3.555   3.245 -0.3606  0.0775 -0.5109
+   11ALA      N  156   3.081   3.519   3.193  0.0371 -0.0768  0.0064
+   11ALA      H  157   3.153   3.546   3.128  0.1554  1.6309  0.8203
+   11ALA     CA  158   3.109   3.440   3.312 -0.3264 -0.4081 -0.1236
+   11ALA     HA  159   3.038   3.358   3.315 -1.7611  0.8372  0.7496
+   11ALA     CB  160   3.240   3.363   3.300 -0.1247 -0.1664  0.5357
+   11ALA    HB1  161   3.246   3.306   3.393  2.1969  0.5314  0.8637
+   11ALA    HB2  162   3.234   3.284   3.225 -0.1931 -1.0354  1.4429
+   11ALA    HB3  163   3.330   3.424   3.290 -1.2211  1.6294  1.4936
+   11ALA      C  164   3.109   3.512   3.446  0.5884 -0.1233 -0.2684
+   11ALA      O  165   3.035   3.467   3.533  0.1791  0.1143 -0.4912
+   12MET      N  166   3.162   3.634   3.460 -0.4057  0.3106 -0.2459
+   12MET      H  167   3.224   3.664   3.387 -0.0566  0.6171  0.1728
+   12MET     CA  168   3.149   3.718   3.577  0.0827  0.3407 -0.2117
+   12MET     HA  169   3.189   3.670   3.666  1.2662  1.8297  0.0828
+   12MET     CB  170   3.231   3.845   3.557  0.3316  0.2257  0.0849
+   12MET    HB1  171   3.220   3.912   3.642  3.5055  2.2184 -0.9974
+   12MET    HB2  172   3.206   3.912   3.475  1.3794 -0.3085 -0.6800
+   12MET     CG  173   3.382   3.830   3.541  0.4104  0.4593  0.5775
+   12MET    HG1  174   3.403   3.740   3.483  1.6985  0.4096  1.1006
+   12MET    HG2  175   3.428   3.831   3.640 -0.9279  2.4448  1.2200
+   12MET     SD  176   3.449   3.987   3.479  0.1679  0.4276  0.2311
+   12MET     CE  177   3.622   3.984   3.531  0.2083 -0.5428  0.0433
+   12MET    HE1  178   3.622   3.999   3.639 -0.3467  2.1556 -0.2980
+   12MET    HE2  179   3.674   3.888   3.524 -3.3394 -2.4799 -0.7378
+   12MET    HE3  180   3.668   4.067   3.478 -0.1742 -0.1081  0.3913
+   12MET      C  181   3.001   3.747   3.605 -0.2601 -1.7012  0.1432
+   12MET      O  182   2.961   3.743   3.720  0.6616  0.0377  0.5351
+   13LYS      N  183   2.918   3.767   3.502 -0.2524 -0.3232  0.3959
+   13LYS      H  184   2.959   3.763   3.410 -0.1505  1.0340  0.3772
+   13LYS     CA  185   2.774   3.785   3.510 -0.2830 -0.3113 -0.1823
+   13LYS     HA  186   2.754   3.873   3.572  0.5380 -0.0273 -0.3038
+   13LYS     CB  187   2.710   3.813   3.375  0.0596  0.4840 -0.1828
+   13LYS    HB1  188   2.680   3.728   3.314 -0.5734  0.2346  0.4785
+   13LYS    HB2  189   2.773   3.884   3.322  3.2411 -2.2172 -0.1663
+   13LYS     CG  190   2.579   3.884   3.406 -0.3502 -0.3888  0.0995
+   13LYS    HG1  191   2.583   3.975   3.466 -1.7273 -1.0558  1.2466
+   13LYS    HG2  192   2.507   3.820   3.457  0.4226 -0.8978  0.5485
+   13LYS     CD  193   2.512   3.939   3.280 -0.0385 -0.4979 -0.1136
+   13LYS    HD1  194   2.506   3.861   3.204 -1.2826 -1.0859  0.5759
+   13LYS    HD2  195   2.569   4.024   3.242  0.1315 -0.3699  0.4246
+   13LYS     CE  196   2.369   3.971   3.322  0.0067 -0.1571 -0.2117
+   13LYS    HE1  197   2.372   4.051   3.395 -4.0513 -1.6669  1.7787
+   13LYS    HE2  198   2.315   3.892   3.375 -0.8169 -0.2310 -1.1497
+   13LYS     NZ  199   2.295   4.015   3.203  0.1623  0.1140 -0.2083
+   13LYS    HZ1  200   2.327   4.107   3.176  0.7177  0.3064  1.0689
+   13LYS    HZ2  201   2.311   3.952   3.126 -1.6758  1.0804 -1.4313
+   13LYS    HZ3  202   2.195   4.017   3.219  0.4335  1.2078  1.5652
+   13LYS      C  203   2.700   3.670   3.577 -0.4881 -0.1103 -0.0647
+   13LYS      O  204   2.625   3.695   3.671  0.3470  0.8223  0.3538
+   14ARG      N  205   2.725   3.551   3.522  0.3794  0.1275 -0.1899
+   14ARG      H  206   2.786   3.543   3.442 -1.3619  0.7921 -1.6279
+   14ARG     CA  207   2.668   3.428   3.573  0.3285  0.5223  0.7197
+   14ARG     HA  208   2.560   3.430   3.581  0.1794  0.5897 -1.0898
+   14ARG     CB  209   2.705   3.308   3.485 -0.5950  0.5139  0.3388
+   14ARG    HB1  210   2.813   3.302   3.473 -0.7400 -2.1656  0.2316
+   14ARG    HB2  211   2.664   3.330   3.387  2.8529 -1.6894 -1.6589
+   14ARG     CG  212   2.644   3.177   3.532 -0.3852  0.2869 -0.0243
+   14ARG    HG1  213   2.536   3.191   3.538 -0.3799 -0.1865  1.5321
+   14ARG    HG2  214   2.687   3.151   3.629  1.1162  2.5782 -0.0545
+   14ARG     CD  215   2.674   3.062   3.437  0.3476  0.1652  0.3482
+   14ARG    HD1  216   2.676   3.106   3.337 -0.6981  0.9421  0.6535
+   14ARG    HD2  217   2.606   2.978   3.454  0.5226  0.4928  2.8326
+   14ARG     NE  218   2.810   3.011   3.455  0.4001  0.3234  0.4008
+   14ARG     HE  219   2.884   3.064   3.412  0.1191  2.2632  2.2157
+   14ARG     CZ  220   2.846   2.893   3.509  0.2039 -0.1271 -0.4406
+   14ARG    NH1  221   2.764   2.816   3.581  0.4519  0.4271  0.4477
+   14ARG   HH11  222   2.682   2.864   3.614 -0.5914 -1.4793  0.7371
+   14ARG   HH12  223   2.798   2.731   3.623  2.2110  0.8048 -0.1634
+   14ARG    NH2  224   2.975   2.862   3.488  0.1807 -0.7207  0.2841
+   14ARG   HH21  225   3.016   2.919   3.415 -3.2723 -0.0368 -1.2488
+   14ARG   HH22  226   3.018   2.778   3.524 -0.5867 -0.1225  2.6621
+   14ARG      C  227   2.706   3.398   3.718  0.4838 -1.4300  0.2947
+   14ARG      O  228   2.614   3.360   3.789 -0.5361  0.1510 -0.1529
+   15HIS      N  229   2.830   3.424   3.761  0.1156  0.3286  0.3341
+   15HIS      H  230   2.891   3.470   3.695  2.2571  0.6485  2.4684
+   15HIS     CA  231   2.882   3.430   3.896  0.1059  0.4694  0.3314
+   15HIS     HA  232   2.835   3.349   3.952  0.5859  1.5152  2.3004
+   15HIS     CB  233   3.032   3.404   3.903 -0.0199 -0.2538  0.3549
+   15HIS    HB1  234   3.066   3.404   4.007 -2.1812 -0.4943  1.0995
+   15HIS    HB2  235   3.085   3.484   3.852 -0.1371 -0.0644  0.5316
+   15HIS     CG  236   3.086   3.280   3.837 -0.3771 -0.2084 -0.0296
+   15HIS    ND1  237   3.094   3.251   3.702 -0.0870  0.2029 -0.0990
+   15HIS    HD1  238   3.100   3.327   3.636 -1.4308  1.5243  1.2437
+   15HIS    CE1  239   3.129   3.123   3.685 -0.4387  0.1450 -0.3896
+   15HIS    HE1  240   3.161   3.070   3.597  1.7215 -0.6146  0.7929
+   15HIS    NE2  241   3.124   3.057   3.801 -0.0933  0.0354 -0.4351
+   15HIS    CD2  242   3.104   3.157   3.897  0.4578 -0.1394 -0.1352
+   15HIS    HD2  243   3.098   3.143   4.004 -0.6621  0.9610 -0.0436
+   15HIS      C  244   2.849   3.555   3.977 -0.0386  0.6895 -0.0681
+   15HIS      O  245   2.902   3.569   4.086  0.1808 -0.2813 -0.0499
+   16GLY      N  246   2.765   3.649   3.933 -0.2760  0.2655 -0.5272
+   16GLY      H  247   2.727   3.640   3.840  0.1383 -1.1344 -0.5626
+   16GLY     CA  248   2.697   3.741   4.023 -0.2852  0.0202 -0.2849
+   16GLY    HA1  249   2.672   3.680   4.110 -0.5860 -1.2473 -1.2337
+   16GLY    HA2  250   2.606   3.786   3.984  0.7158  1.3229 -1.1511
+   16GLY      C  251   2.783   3.860   4.063 -0.0521 -0.1849 -0.1688
+   16GLY      O  252   2.784   3.901   4.178 -0.0685 -0.1049 -0.1967
+   17LEU      N  253   2.855   3.919   3.967  0.1667  0.3662  0.3291
+   17LEU      H  254   2.855   3.861   3.884  2.3271  0.5611  0.1807
+   17LEU     CA  255   2.944   4.031   3.988  0.4956  0.0899  0.4075
+   17LEU     HA  256   2.966   4.054   4.093 -0.7738  0.3238  0.6273
+   17LEU     CB  257   3.082   4.004   3.928  0.1843 -0.0718 -0.2372
+   17LEU    HB1  258   3.144   4.093   3.941  2.6400 -1.9555  1.4203
+   17LEU    HB2  259   3.081   3.977   3.822  0.5205  1.6105 -0.6914
+   17LEU     CG  260   3.177   3.908   3.998 -0.3507 -0.2306  0.2729
+   17LEU     HG  261   3.130   3.810   3.996 -1.3043  0.2194  0.4358
+   17LEU    CD1  262   3.314   3.887   3.934 -0.1873  0.1508  0.4928
+   17LEU   HD11  263   3.360   3.981   3.904 -0.7511  0.4353  0.4935
+   17LEU   HD12  264   3.380   3.833   4.001 -2.4926 -0.5712  2.2448
+   17LEU   HD13  265   3.299   3.824   3.846  2.0524  0.4762 -0.1331
+   17LEU    CD2  266   3.212   3.956   4.139 -0.0450 -0.4396  0.2689
+   17LEU   HD21  267   3.300   3.913   4.186 -0.1694 -1.0908 -0.0862
+   17LEU   HD22  268   3.227   4.064   4.138  1.5668 -0.6584 -0.9455
+   17LEU   HD23  269   3.131   3.942   4.211  0.3615 -0.0259  0.8146
+   17LEU      C  270   2.894   4.162   3.929 -0.5567 -0.2039  0.6331
+   17LEU      O  271   2.941   4.266   3.975 -0.2339  0.1834 -0.5566
+   18ASP      N  272   2.800   4.167   3.835  0.3194  0.1612 -0.2345
+   18ASP      H  273   2.748   4.081   3.823 -0.7627  0.6856  0.6485
+   18ASP     CA  274   2.749   4.289   3.777 -0.2638  0.0643  0.0757
+   18ASP     HA  275   2.830   4.352   3.739  0.7167 -0.6118  1.0294
+   18ASP     CB  276   2.660   4.258   3.657  0.3607  0.3107 -0.4481
+   18ASP    HB1  277   2.568   4.213   3.693  0.3547 -0.4280 -1.3667
+   18ASP    HB2  278   2.713   4.185   3.595  0.9402  0.5305 -0.2218
+   18ASP     CG  279   2.611   4.383   3.585 -0.2434  0.2631 -0.1134
+   18ASP    OD1  280   2.669   4.492   3.604  0.2610 -0.0687  0.2734
+   18ASP    OD2  281   2.507   4.377   3.516 -0.0393 -0.1442 -0.3877
+   18ASP      C  282   2.666   4.361   3.883 -0.0545 -0.1013  0.3521
+   18ASP      O  283   2.571   4.304   3.935  0.1172 -0.2510  0.5025
+   19ASN      N  284   2.707   4.481   3.926 -0.1559  0.1707 -0.2990
+   19ASN      H  285   2.790   4.510   3.876 -0.5231 -1.3662 -1.8799
+   19ASN     CA  286   2.659   4.565   4.033  0.1094  0.1091 -0.1311
+   19ASN     HA  287   2.728   4.649   4.021  1.3200 -0.7320  0.7553
+   19ASN     CB  288   2.516   4.618   4.025  0.1209  0.2419  0.4967
+   19ASN    HB1  289   2.508   4.703   4.093 -1.1419  0.9830 -0.5662
+   19ASN    HB2  290   2.442   4.546   4.059  1.7007 -1.6218  0.0525
+   19ASN     CG  291   2.487   4.671   3.886 -0.0883 -0.4385  0.2804
+   19ASN    OD1  292   2.534   4.780   3.852  0.2080 -0.5915  0.1965
+   19ASN    ND2  293   2.417   4.592   3.804 -0.4279 -0.4415  0.5762
+   19ASN   HD21  294   2.345   4.532   3.843 -0.4449 -1.4723 -1.0021
+   19ASN   HD22  295   2.430   4.609   3.706  0.7945 -1.9984  0.4470
+   19ASN      C  296   2.697   4.508   4.169  0.2279  0.1571 -0.1448
+   19ASN      O  297   2.647   4.562   4.267  0.2986 -0.5189  0.2725
+   20TYR      N  298   2.782   4.406   4.184 -0.2651 -0.2495 -0.0990
+   20TYR      H  299   2.841   4.371   4.109  1.2193  0.9489  0.4739
+   20TYR     CA  300   2.815   4.359   4.317  0.0514  0.1304 -0.0422
+   20TYR     HA  301   2.721   4.335   4.365 -0.2335 -2.3442 -1.7158
+   20TYR     CB  302   2.906   4.236   4.314  0.4619  0.4212  0.4476
+   20TYR    HB1  303   3.005   4.255   4.270  0.9878 -0.6749  1.1476
+   20TYR    HB2  304   2.865   4.162   4.246 -1.9602  1.1532  1.0794
+   20TYR     CG  305   2.912   4.181   4.454 -0.1987  0.4266  0.4790
+   20TYR    CD1  306   2.809   4.102   4.506 -0.2120  0.0964 -0.0568
+   20TYR    HD1  307   2.719   4.100   4.447 -1.3266 -0.7096  1.6559
+   20TYR    CE1  308   2.823   4.050   4.635 -0.0259  0.1687 -0.0468
+   20TYR    HE1  309   2.746   3.988   4.679 -0.7264  0.5942 -0.6617
+   20TYR     CZ  310   2.933   4.080   4.717 -0.1433 -0.3574  0.3086
+   20TYR     OH  311   2.943   4.029   4.843  0.0163 -0.5626  0.2128
+   20TYR     HH  312   3.024   4.067   4.877  0.3716 -0.0566 -1.1734
+   20TYR    CE2  313   3.037   4.162   4.668 -0.2279 -0.1892  0.4113
+   20TYR    HE2  314   3.126   4.186   4.724  0.1907  1.1816 -0.8155
+   20TYR    CD2  315   3.022   4.210   4.537  0.5157 -0.9849  0.0321
+   20TYR    HD2  316   3.101   4.267   4.491  0.8060  1.0926  3.0003
+   20TYR      C  317   2.880   4.471   4.396  0.4008 -0.2780  0.2505
+   20TYR      O  318   2.976   4.532   4.348 -0.1442  0.0484 -0.4221
+   21ARG      N  319   2.832   4.504   4.516  0.0259 -0.4384  0.1443
+   21ARG      H  320   2.752   4.454   4.552  1.0679 -1.6548  0.7740
+   21ARG     CA  321   2.873   4.626   4.583 -0.1425 -0.2405 -0.1121
+   21ARG     HA  322   2.795   4.638   4.658 -0.3341 -1.0193 -0.1786
+   21ARG     CB  323   3.005   4.599   4.655 -0.0654  0.4755  0.0241
+   21ARG    HB1  324   3.049   4.696   4.675  0.9776 -0.0369  0.2622
+   21ARG    HB2  325   3.079   4.558   4.586  0.5655 -0.4257  1.2003
+   21ARG     CG  326   3.013   4.499   4.771 -0.3098  0.0141 -0.3521
+   21ARG    HG1  327   3.116   4.495   4.805 -0.2380  0.9125 -0.4351
+   21ARG    HG2  328   2.981   4.399   4.744  0.0817 -0.9329  2.5291
+   21ARG     CD  329   2.920   4.535   4.886 -0.5406 -0.2655 -0.4488
+   21ARG    HD1  330   2.818   4.526   4.850 -0.0653  0.2337 -1.9254
+   21ARG    HD2  331   2.932   4.641   4.913 -2.1027 -0.0500 -0.5437
+   21ARG     NE  332   2.925   4.453   5.007  0.9171  0.0697 -0.2607
+   21ARG     HE  333   2.903   4.355   5.000  0.3668  0.1339  0.5038
+   21ARG     CZ  334   2.946   4.487   5.135  0.5539 -0.0042 -0.1807
+   21ARG    NH1  335   2.981   4.612   5.166 -0.7119  0.2261  0.3759
+   21ARG   HH11  336   2.998   4.686   5.099  2.0537  0.6884  1.4985
+   21ARG   HH12  337   2.999   4.628   5.265 -0.9040 -2.2635  0.8298
+   21ARG    NH2  338   2.938   4.399   5.236  0.0341 -0.0669 -0.2751
+   21ARG   HH21  339   2.912   4.306   5.208  1.3943 -0.7698  0.7395
+   21ARG   HH22  340   2.944   4.437   5.329  0.6341  2.3951 -1.2730
+   21ARG      C  341   2.863   4.755   4.502  0.2276 -0.3769 -0.3812
+   21ARG      O  342   2.931   4.851   4.537  0.0385 -0.5617  0.5024
+   22GLY      N  343   2.768   4.759   4.408  0.2709  0.1224 -0.4018
+   22GLY      H  344   2.711   4.678   4.391 -0.1193  0.0219  1.2669
+   22GLY     CA  345   2.740   4.871   4.321  0.2197  0.3540 -0.0892
+   22GLY    HA1  346   2.745   4.962   4.380  0.2939  0.2498  0.0650
+   22GLY    HA2  347   2.649   4.852   4.263 -1.7674 -1.3713  3.3984
+   22GLY      C  348   2.841   4.891   4.209  0.2008  0.3359 -0.1093
+   22GLY      O  349   2.835   4.996   4.146 -0.4998 -0.1429 -0.8554
+   23TYR      N  350   2.927   4.792   4.182  0.2034  0.2198  0.3157
+   23TYR      H  351   2.926   4.705   4.232 -3.0454 -0.4841 -0.8554
+   23TYR     CA  352   3.018   4.790   4.069 -0.3818  0.1216 -0.1540
+   23TYR     HA  353   3.037   4.894   4.043 -1.2295 -0.1689 -2.0155
+   23TYR     CB  354   3.158   4.745   4.110 -0.3271  0.2890 -0.1600
+   23TYR    HB1  355   3.222   4.746   4.022 -0.7586  1.7539 -0.4708
+   23TYR    HB2  356   3.156   4.641   4.145  0.3718  0.2254 -0.3054
+   23TYR     CG  357   3.218   4.825   4.223 -0.0062  0.0120 -0.1322
+   23TYR    CD1  358   3.308   4.929   4.197 -0.7850  0.6607 -0.2883
+   23TYR    HD1  359   3.332   4.951   4.094 -0.9795 -0.7942 -0.6556
+   23TYR    CE1  360   3.370   5.001   4.300 -0.0379 -0.2821 -0.0685
+   23TYR    HE1  361   3.442   5.077   4.273 -0.8978  0.2652 -0.8427
+   23TYR     CZ  362   3.335   4.969   4.432 -0.2989  0.2645 -0.0026
+   23TYR     OH  363   3.369   5.059   4.529  0.2888  0.3436 -0.2865
+   23TYR     HH  364   3.321   5.046   4.611  1.8785 -1.9603  0.3550
+   23TYR    CE2  365   3.248   4.861   4.462 -0.3034  0.1818 -0.3160
+   23TYR    HE2  366   3.228   4.831   4.563 -2.0145 -2.8583 -1.4989
+   23TYR    CD2  367   3.199   4.785   4.355 -0.2255 -0.0520 -0.1824
+   23TYR    HD2  368   3.138   4.698   4.376  0.1526 -0.4033 -0.5469
+   23TYR      C  369   2.981   4.716   3.941  0.0461 -0.2904 -0.0446
+   23TYR      O  370   2.973   4.594   3.944  0.2486 -0.2919  0.4359
+   24SER      N  371   2.954   4.793   3.835  0.4541 -0.3038 -0.1566
+   24SER      H  372   2.937   4.892   3.846  3.2259 -0.0027  2.2966
+   24SER     CA  373   2.912   4.732   3.711  0.4686 -0.0996 -0.2612
+   24SER     HA  374   2.818   4.681   3.731 -0.9099  1.9350 -1.2663
+   24SER     CB  375   2.871   4.844   3.614 -0.4754  0.1561  0.4227
+   24SER    HB1  376   2.799   4.911   3.660  1.9410  2.5796  0.8032
+   24SER    HB2  377   2.823   4.790   3.532  1.3483  0.3357 -0.7895
+   24SER     OG  378   2.975   4.930   3.575 -0.5482  0.1767  0.2769
+   24SER     HG  379   2.935   4.976   3.500 -1.1561 -1.7178 -0.5795
+   24SER      C  380   3.012   4.633   3.654  0.3667 -0.1475 -0.3611
+   24SER      O  381   3.132   4.649   3.675  0.2855  0.1404 -0.1162
+   25LEU      N  382   2.965   4.534   3.578 -0.3074  0.0327 -0.1835
+   25LEU      H  383   2.866   4.522   3.564 -0.2379 -1.3960  0.3822
+   25LEU     CA  384   3.046   4.446   3.496 -0.1894 -0.0412  0.0112
+   25LEU     HA  385   3.098   4.378   3.564 -1.8918 -0.0553  1.3333
+   25LEU     CB  386   2.944   4.364   3.417 -0.1443  0.0032 -0.0935
+   25LEU    HB1  387   2.920   4.420   3.327 -0.4373  1.1777  0.6985
+   25LEU    HB2  388   2.846   4.369   3.464 -0.3935  1.8469 -0.7650
+   25LEU     CG  389   2.978   4.227   3.359 -0.7661 -0.0847 -0.2457
+   25LEU     HG  390   3.067   4.243   3.299 -0.3053 -0.9780  0.1848
+   25LEU    CD1  391   3.014   4.131   3.472 -0.4571  0.1345 -0.1580
+   25LEU   HD11  392   3.031   4.031   3.431  0.5341 -0.3237  1.3335
+   25LEU   HD12  393   3.101   4.165   3.529  0.0793 -0.0195 -0.8685
+   25LEU   HD13  394   2.932   4.116   3.542 -2.0005  1.6615 -1.5715
+   25LEU    CD2  395   2.860   4.170   3.282 -1.0018  0.2164 -0.1120
+   25LEU   HD21  396   2.891   4.082   3.225  0.4982  0.4105  0.3906
+   25LEU   HD22  397   2.770   4.151   3.341 -1.1890 -0.0462 -0.4718
+   25LEU   HD23  398   2.834   4.243   3.205 -0.4028 -0.5055 -1.0118
+   25LEU      C  399   3.154   4.505   3.406 -0.0207 -0.2825  0.0557
+   25LEU      O  400   3.260   4.442   3.404 -0.4496 -0.9973 -0.1594
+   26GLY      N  401   3.144   4.632   3.367  0.4332 -0.2311  0.0958
+   26GLY      H  402   3.051   4.673   3.371  0.2495 -0.6326 -0.0625
+   26GLY     CA  403   3.255   4.697   3.302  0.0821  0.7223  0.4393
+   26GLY    HA1  404   3.216   4.792   3.264  0.3993 -0.0673 -1.9703
+   26GLY    HA2  405   3.291   4.634   3.220 -1.3092  1.3589 -0.6895
+   26GLY      C  406   3.376   4.721   3.391  0.1727  0.8449  0.2857
+   26GLY      O  407   3.492   4.723   3.351  0.1970 -0.9359  0.2140
+   27ASN      N  408   3.351   4.739   3.521 -0.0098  0.2846  0.3290
+   27ASN      H  409   3.257   4.715   3.551 -1.7856  3.5607 -2.2538
+   27ASN     CA  410   3.454   4.763   3.619 -0.0593 -0.2262  0.5078
+   27ASN     HA  411   3.523   4.834   3.573 -2.2425  2.3417  1.0664
+   27ASN     CB  412   3.408   4.806   3.758  0.0574 -0.1858  0.5348
+   27ASN    HB1  413   3.482   4.818   3.837 -2.5457  0.0117  3.0415
+   27ASN    HB2  414   3.334   4.735   3.794 -1.6368  1.4436  0.3527
+   27ASN     CG  415   3.341   4.943   3.757  0.4702  0.0157 -0.5205
+   27ASN    OD1  416   3.408   5.046   3.767  0.4252 -0.0174  0.1437
+   27ASN    ND2  417   3.208   4.948   3.753  0.4619  0.3963  0.0479
+   27ASN   HD21  418   3.151   4.867   3.731  1.6797 -0.6588  0.7311
+   27ASN   HD22  419   3.168   5.040   3.743 -0.8766 -0.0968  0.6428
+   27ASN      C  420   3.535   4.635   3.637  0.3321 -0.0162  0.2558
+   27ASN      O  421   3.658   4.638   3.644  0.3008  0.1434  0.7465
+   28TRP      N  422   3.466   4.521   3.652  0.1212  0.1422  0.4988
+   28TRP      H  423   3.367   4.521   3.633  0.0179  1.2137  0.9892
+   28TRP     CA  424   3.531   4.393   3.667 -0.2788 -0.1389 -0.1638
+   28TRP     HA  425   3.609   4.407   3.742  0.1060 -0.8063 -0.4358
+   28TRP     CB  426   3.438   4.284   3.720  0.0020 -0.3375 -0.0724
+   28TRP    HB1  427   3.494   4.191   3.724 -1.7089 -1.3610  0.8732
+   28TRP    HB2  428   3.362   4.257   3.647  0.2429 -1.0779 -0.0478
+   28TRP     CG  429   3.363   4.307   3.848 -0.0197 -0.6917 -0.0203
+   28TRP    CD1  430   3.253   4.385   3.854  0.5606  0.1262  0.1495
+   28TRP    HD1  431   3.191   4.408   3.769  0.8052  1.5592  0.3453
+   28TRP    NE1  432   3.209   4.383   3.985 -0.5446  0.0443 -0.2160
+   28TRP    HE1  433   3.116   4.401   4.021 -0.0978  0.3689  0.7775
+   28TRP    CE2  434   3.312   4.349   4.071 -0.7607  0.2485  0.1257
+   28TRP    CZ2  435   3.332   4.355   4.209 -0.1928 -0.5959  0.0822
+   28TRP    HZ2  436   3.260   4.400   4.275 -1.4304  1.0271 -2.2851
+   28TRP    CH2  437   3.457   4.323   4.263  0.1309  0.6355  0.0786
+   28TRP    HH2  438   3.471   4.332   4.369 -0.8730 -0.2936  0.2886
+   28TRP    CZ3  439   3.551   4.258   4.181 -0.4111  0.1859 -0.1947
+   28TRP    HZ3  440   3.651   4.239   4.219 -0.3216  1.7682  0.4392
+   28TRP    CE3  441   3.528   4.244   4.044 -0.5152  0.0634 -0.1643
+   28TRP    HE3  442   3.612   4.204   3.990  0.8068 -0.0149  1.8711
+   28TRP    CD2  443   3.410   4.293   3.985 -1.2106 -0.9411  0.3692
+   28TRP      C  444   3.600   4.345   3.540  0.0134 -0.1381 -0.0080
+   28TRP      O  445   3.713   4.297   3.541  0.4302  0.8518  0.2855
+   29VAL      N  446   3.548   4.374   3.420 -0.1275 -0.0169  0.0812
+   29VAL      H  447   3.455   4.412   3.412  0.2420  1.3441  1.8843
+   29VAL     CA  448   3.618   4.339   3.298  0.1009  0.4435  0.0779
+   29VAL     HA  449   3.652   4.235   3.297 -1.5515 -0.1151 -0.3630
+   29VAL     CB  450   3.527   4.338   3.175  0.2763 -0.7590 -0.0448
+   29VAL     HB  451   3.477   4.435   3.176  1.2532 -0.2526  0.0083
+   29VAL    CG1  452   3.612   4.315   3.050 -0.0552  0.1892 -0.4459
+   29VAL   HG11  453   3.543   4.295   2.967  0.2686  0.4135 -0.7679
+   29VAL   HG12  454   3.674   4.399   3.019 -0.3578  1.0324  1.1799
+   29VAL   HG13  455   3.670   4.225   3.066  1.8988  1.4776 -0.2064
+   29VAL    CG2  456   3.414   4.235   3.186 -0.4612  0.1572  1.0187
+   29VAL   HG21  457   3.354   4.251   3.097  1.1109 -0.7196 -0.2268
+   29VAL   HG22  458   3.453   4.134   3.190  0.3584  0.4701  1.1456
+   29VAL   HG23  459   3.351   4.254   3.272 -1.8883 -0.0794  0.0364
+   29VAL      C  460   3.742   4.427   3.292  0.4169  0.0154  0.3251
+   29VAL      O  461   3.854   4.382   3.268  0.3553  0.1115 -0.1565
+   30CYS      N  462   3.722   4.558   3.306  0.3649  0.0767 -0.3095
+   30CYS      H  463   3.626   4.588   3.313 -0.2132 -1.5736 -0.8114
+   30CYS     CA  464   3.832   4.652   3.300  0.1795  0.3217  0.1222
+   30CYS     HA  465   3.873   4.638   3.200  1.0267  0.9297  0.3789
+   30CYS     CB  466   3.784   4.795   3.323  0.1096  0.1305  1.1969
+   30CYS    HB1  467   3.726   4.806   3.414 -2.1264  0.9295 -0.2876
+   30CYS    HB2  468   3.721   4.819   3.238  0.8348  1.5895  1.0426
+   30CYS     SG  469   3.923   4.911   3.326  0.2471  0.0019  0.1522
+   30CYS      C  470   3.941   4.616   3.400  0.1390  0.3234  0.1669
+   30CYS      O  471   4.060   4.615   3.370  0.1445  0.1230  0.1931
+   31ALA      N  472   3.906   4.586   3.525 -0.2064 -0.7306 -0.1772
+   31ALA      H  473   3.808   4.586   3.549  0.2924  1.5570  2.0441
+   31ALA     CA  474   3.990   4.533   3.631  0.0516 -0.1230 -0.0798
+   31ALA     HA  475   4.066   4.604   3.664  0.2131 -1.0941  1.6923
+   31ALA     CB  476   3.904   4.503   3.754 -0.3842  0.1508 -0.3158
+   31ALA    HB1  477   3.809   4.453   3.734 -1.8019  1.8863  1.8781
+   31ALA    HB2  478   3.962   4.448   3.828 -0.8793 -1.5513 -1.1509
+   31ALA    HB3  479   3.878   4.599   3.796  0.3176  0.3443 -0.3249
+   31ALA      C  480   4.075   4.414   3.590 -0.0831 -0.3240  0.2195
+   31ALA      O  481   4.198   4.415   3.593 -0.0767 -0.1410 -0.1174
+   32ALA      N  482   4.007   4.307   3.548  0.3147 -0.3966 -0.2460
+   32ALA      H  483   3.908   4.312   3.564  0.5612 -1.1520  1.7218
+   32ALA     CA  484   4.069   4.190   3.488  0.2701 -0.6823  0.2582
+   32ALA     HA  485   4.128   4.135   3.561 -1.0507 -2.5398 -0.0363
+   32ALA     CB  486   3.951   4.103   3.447 -0.3160  0.1510  0.1560
+   32ALA    HB1  487   3.893   4.154   3.370 -0.8582 -1.7898 -0.7720
+   32ALA    HB2  488   3.983   4.005   3.410 -0.3273  0.0478  0.4185
+   32ALA    HB3  489   3.893   4.095   3.538 -1.1641  2.7619 -0.1110
+   32ALA      C  490   4.158   4.214   3.367 -0.7743 -0.4926 -0.4871
+   32ALA      O  491   4.259   4.145   3.352 -0.2057  0.2237  0.0070
+   33LYS      N  492   4.134   4.317   3.286 -0.4409 -0.1956 -0.2123
+   33LYS      H  493   4.051   4.375   3.296 -0.8920 -0.8814  0.0325
+   33LYS     CA  494   4.225   4.343   3.176 -0.1309 -0.5285 -0.0355
+   33LYS     HA  495   4.258   4.253   3.124 -0.0447 -0.2746 -0.4209
+   33LYS     CB  496   4.163   4.433   3.070  0.2171 -0.4437 -0.1657
+   33LYS    HB1  497   4.138   4.529   3.115 -1.2253 -1.1229  0.4924
+   33LYS    HB2  498   4.066   4.396   3.036 -0.3771  1.5564 -0.7460
+   33LYS     CG  499   4.256   4.477   2.957  0.2303  0.3099  0.1344
+   33LYS    HG1  500   4.342   4.529   3.000  0.8771  0.6350 -1.5166
+   33LYS    HG2  501   4.203   4.550   2.895 -1.2010 -0.8564 -0.0279
+   33LYS     CD  502   4.298   4.373   2.854 -0.0959  0.1294  0.1824
+   33LYS    HD1  503   4.210   4.344   2.796  0.2106 -1.1282  0.3381
+   33LYS    HD2  504   4.342   4.288   2.905 -0.1927 -0.1628 -0.2101
+   33LYS     CE  505   4.400   4.424   2.752  0.2432 -0.0227  0.4468
+   33LYS    HE1  506   4.485   4.467   2.805  1.2119 -1.1205 -0.2031
+   33LYS    HE2  507   4.360   4.513   2.704  0.8690  0.1870  0.3063
+   33LYS     NZ  508   4.451   4.319   2.662 -0.1243 -0.3250  0.5909
+   33LYS    HZ1  509   4.527   4.271   2.707 -1.3944 -2.1389  0.8656
+   33LYS    HZ2  510   4.378   4.254   2.637 -1.3309  0.4610  1.9947
+   33LYS    HZ3  511   4.493   4.357   2.578 -0.6073  0.9211  0.8982
+   33LYS      C  512   4.360   4.386   3.230 -0.2183  0.3216 -0.4885
+   33LYS      O  513   4.464   4.339   3.184 -0.1536 -0.0477  0.0322
+   34PHE      N  514   4.362   4.481   3.325  0.1883 -0.2436  0.0712
+   34PHE      H  515   4.272   4.520   3.346 -0.2286  0.1068 -2.1959
+   34PHE     CA  516   4.490   4.535   3.367  0.2086  0.0407 -0.3533
+   34PHE     HA  517   4.558   4.518   3.283 -0.4534 -3.4425 -0.2738
+   34PHE     CB  518   4.472   4.686   3.378  0.0107  0.0206 -0.3781
+   34PHE    HB1  519   4.568   4.730   3.405  0.7626 -1.6619 -0.2347
+   34PHE    HB2  520   4.393   4.706   3.450 -0.2184 -0.9701 -0.3560
+   34PHE     CG  521   4.425   4.751   3.250 -0.4167  0.0194 -0.2209
+   34PHE    CD1  522   4.507   4.737   3.138 -0.4069 -0.9211 -0.1000
+   34PHE    HD1  523   4.600   4.681   3.137  0.1882  0.0571 -1.1010
+   34PHE    CE1  524   4.462   4.778   3.012  0.3117  0.5153  0.0989
+   34PHE    HE1  525   4.520   4.778   2.921 -1.3604 -2.0344 -1.0140
+   34PHE     CZ  526   4.345   4.855   3.012 -0.4273 -0.5902  0.6913
+   34PHE     HZ  527   4.312   4.907   2.923  1.4290 -1.2380 -0.4133
+   34PHE    CE2  528   4.266   4.873   3.126 -0.9023  0.1337  0.2548
+   34PHE    HE2  529   4.194   4.953   3.122 -2.6070 -1.3689  0.3818
+   34PHE    CD2  530   4.301   4.816   3.249 -0.1958  0.4584  0.2056
+   34PHE    HD2  531   4.245   4.829   3.340  2.2262  0.4521  1.7310
+   34PHE      C  532   4.564   4.456   3.474  0.2360  0.0522 -0.3641
+   34PHE      O  533   4.686   4.466   3.481  0.1730  0.1390  0.5690
+   35GLU      N  534   4.501   4.362   3.545  0.3365  0.2857  0.0319
+   35GLU      H  535   4.400   4.354   3.546  0.2453  0.6433 -3.0556
+   35GLU     CA  536   4.570   4.274   3.637  0.0342  0.0294  0.0170
+   35GLU     HA  537   4.637   4.337   3.697  0.9412 -0.1284 -0.8177
+   35GLU     CB  538   4.468   4.215   3.733 -0.0489 -0.2635 -0.2525
+   35GLU    HB1  539   4.510   4.125   3.779 -1.4151 -1.3809 -1.1408
+   35GLU    HB2  540   4.379   4.172   3.687 -0.0765 -0.3184 -0.1491
+   35GLU     CG  541   4.422   4.315   3.839  0.3718 -0.4897  0.1488
+   35GLU    HG1  542   4.357   4.266   3.912  0.1498  1.1711  1.0752
+   35GLU    HG2  543   4.358   4.381   3.781  1.2713 -0.2664 -0.5958
+   35GLU     CD  544   4.520   4.397   3.920  0.4055  0.1646 -0.5496
+   35GLU    OE1  545   4.636   4.359   3.948  0.3813  0.3137 -0.2453
+   35GLU    OE2  546   4.483   4.507   3.967  0.2152 -0.1606  0.0681
+   35GLU      C  547   4.652   4.160   3.578  0.5623  0.5866 -0.3416
+   35GLU      O  548   4.766   4.134   3.615 -0.0260 -0.5617  0.7302
+   36SER      N  549   4.593   4.090   3.481  0.2529 -0.1784  0.3876
+   36SER      H  550   4.504   4.115   3.441  0.2180 -0.2200  0.4384
+   36SER     CA  551   4.639   3.963   3.430  0.4313  0.0704 -0.0799
+   36SER     HA  552   4.741   3.940   3.463  0.0251  0.2028  1.3037
+   36SER     CB  553   4.540   3.868   3.497  0.0076  0.3342 -0.3393
+   36SER    HB1  554   4.528   3.886   3.604 -1.1896 -2.5795  0.0375
+   36SER    HB2  555   4.565   3.764   3.479  3.1416  1.2570 -1.6603
+   36SER     OG  556   4.420   3.897   3.428 -0.3669 -0.0217  0.1566
+   36SER     HG  557   4.355   3.924   3.493 -2.2368  0.4696 -1.8514
+   36SER      C  558   4.644   3.952   3.279  0.2720 -0.0228 -0.0775
+   36SER      O  559   4.680   3.848   3.224  0.2278  0.0515 -0.2495
+   37ASN      N  560   4.595   4.051   3.204  0.2911  0.0628  0.0235
+   37ASN      H  561   4.584   4.140   3.250  0.8341 -0.0731  0.4098
+   37ASN     CA  562   4.566   4.044   3.062  0.1741  0.0203  0.0486
+   37ASN     HA  563   4.516   4.136   3.034  1.0954  0.4824 -0.0996
+   37ASN     CB  564   4.699   4.036   2.987  0.2512 -0.3152  0.2206
+   37ASN    HB1  565   4.754   3.944   3.009  1.4422  0.2725 -0.2635
+   37ASN    HB2  566   4.767   4.110   3.030  0.3432 -1.8926  2.9257
+   37ASN     CG  567   4.690   4.052   2.836 -0.4730 -0.7931  0.2128
+   37ASN    OD1  568   4.603   4.123   2.785  0.3238 -0.1862 -0.3042
+   37ASN    ND2  569   4.784   3.991   2.765 -0.6743 -0.4948 -0.3132
+   37ASN   HD21  570   4.857   3.941   2.813  0.6711 -0.8163 -2.6266
+   37ASN   HD22  571   4.786   4.009   2.665  0.0355 -0.6135 -0.3249
+   37ASN      C  572   4.468   3.934   3.024 -0.2077  0.4614 -0.2473
+   37ASN      O  573   4.478   3.870   2.920  0.1982 -0.1213  0.1469
+   38PHE      N  574   4.359   3.923   3.100 -0.1290  0.1125 -0.1826
+   38PHE      H  575   4.353   3.975   3.187  1.2343 -1.3530  0.8118
+   38PHE     CA  576   4.257   3.820   3.093  0.2926 -0.3079 -0.1808
+   38PHE     HA  577   4.196   3.830   3.182  0.2899 -1.8048 -0.0017
+   38PHE     CB  578   4.169   3.838   2.969  0.5571  0.2803 -0.2887
+   38PHE    HB1  579   4.096   3.757   2.971 -0.8994  1.5515 -1.4398
+   38PHE    HB2  580   4.219   3.830   2.873 -1.8713 -0.0913 -1.5537
+   38PHE     CG  581   4.080   3.960   2.958 -0.2670 -0.3064 -0.2105
+   38PHE    CD1  582   4.035   4.034   3.068  0.6316  0.4489 -0.3442
+   38PHE    HD1  583   4.061   3.996   3.166 -0.7446  1.1586  0.3120
+   38PHE    CE1  584   3.954   4.146   3.048  0.0699  0.0490 -0.3241
+   38PHE    HE1  585   3.916   4.206   3.130 -1.3587 -0.6899 -0.4215
+   38PHE     CZ  586   3.933   4.192   2.917 -0.0855  0.8124 -0.0336
+   38PHE     HZ  587   3.894   4.292   2.902  0.5679  1.0287 -0.3043
+   38PHE    CE2  588   3.977   4.113   2.811 -0.2657  0.2929  0.2783
+   38PHE    HE2  589   3.957   4.141   2.708  0.5804 -1.2016 -0.3180
+   38PHE    CD2  590   4.053   3.997   2.826  0.4130  0.6903 -0.0750
+   38PHE    HD2  591   4.092   3.945   2.740 -0.3640  2.2493 -1.3815
+   38PHE      C  592   4.304   3.676   3.100  0.3902 -0.3130 -0.9118
+   38PHE      O  593   4.229   3.589   3.056 -0.8616  0.3351 -0.0681
+   39ASN      N  594   4.423   3.655   3.156  0.0652 -0.0835 -0.1357
+   39ASN      H  595   4.476   3.726   3.205  0.0684 -0.5872  0.6055
+   39ASN     CA  596   4.482   3.523   3.166  0.0266 -0.1318 -0.5293
+   39ASN     HA  597   4.419   3.453   3.110 -0.7477 -1.3674  1.7878
+   39ASN     CB  598   4.617   3.528   3.096  0.1010  0.0776 -0.3699
+   39ASN    HB1  599   4.664   3.618   3.136  1.1553 -0.5661 -0.1134
+   39ASN    HB2  600   4.609   3.553   2.990  1.0194 -1.0247 -0.7172
+   39ASN     CG  601   4.697   3.401   3.121  0.0296  0.0674 -0.1977
+   39ASN    OD1  602   4.654   3.291   3.155 -0.2629  0.3150  0.2345
+   39ASN    ND2  603   4.830   3.418   3.120  0.1525 -0.8465 -0.1038
+   39ASN   HD21  604   4.867   3.512   3.116  0.0097 -0.8350 -1.3673
+   39ASN   HD22  605   4.894   3.346   3.147  0.2134 -0.7032  0.1268
+   39ASN      C  606   4.484   3.474   3.310  0.3371 -0.1958 -0.5554
+   39ASN      O  607   4.530   3.542   3.402  0.2120 -0.7393 -0.0898
+   40THR      N  608   4.415   3.362   3.329 -0.1000  0.2108  0.3136
+   40THR      H  609   4.380   3.303   3.254  1.5366 -0.4199  0.0235
+   40THR     CA  610   4.404   3.295   3.457  0.0565 -0.2239  0.1007
+   40THR     HA  611   4.353   3.365   3.522  1.0984  1.0297 -0.4065
+   40THR     CB  612   4.317   3.170   3.452 -0.1068 -0.1022 -0.0934
+   40THR     HB  613   4.321   3.106   3.540  0.8163  0.1635  0.0645
+   40THR    CG2  614   4.173   3.204   3.412  0.0389  0.0691 -0.4697
+   40THR   HG21  615   4.160   3.240   3.310  2.2215 -1.1909 -1.2442
+   40THR   HG22  616   4.113   3.114   3.422 -1.1086  0.8168 -0.6088
+   40THR   HG23  617   4.140   3.278   3.485 -1.8722 -0.3083 -0.9384
+   40THR    OG1  618   4.356   3.075   3.356  0.1551  0.3622 -0.4447
+   40THR    HG1  619   4.404   3.008   3.405 -2.2555 -0.8093  0.3744
+   40THR      C  620   4.538   3.258   3.520  0.1801  0.0208 -0.0182
+   40THR      O  621   4.547   3.248   3.642 -0.1550  0.6488  0.0626
+   41GLN      N  622   4.642   3.237   3.438  0.1937  0.3669 -0.0920
+   41GLN      H  623   4.627   3.245   3.339  0.6099 -0.5739 -0.2400
+   41GLN     CA  624   4.766   3.186   3.492 -0.0219  0.1899  0.2452
+   41GLN     HA  625   4.748   3.139   3.588 -0.0158  1.8748  1.0789
+   41GLN     CB  626   4.822   3.084   3.392 -0.2347 -0.0133  0.3340
+   41GLN    HB1  627   4.909   3.037   3.437  2.5328  1.2639 -3.4210
+   41GLN    HB2  628   4.838   3.142   3.301  1.1032  0.5248  0.9037
+   41GLN     CG  629   4.722   2.972   3.368 -0.5310  0.2347  0.3993
+   41GLN    HG1  630   4.632   2.996   3.311 -2.9865 -2.6964  2.8463
+   41GLN    HG2  631   4.681   2.937   3.463 -0.4444 -1.6790 -0.2420
+   41GLN     CD  632   4.795   2.857   3.300 -0.4192  0.5274  0.0240
+   41GLN    OE1  633   4.854   2.776   3.372 -0.1512  0.3745 -0.3655
+   41GLN    NE2  634   4.811   2.856   3.168  0.3197 -0.4256  0.1109
+   41GLN   HE21  635   4.767   2.930   3.115 -2.2078  1.0442  4.0410
+   41GLN   HE22  636   4.860   2.780   3.123 -1.1132 -1.3847  0.1446
+   41GLN      C  637   4.873   3.291   3.518  0.2752 -0.1700  0.4812
+   41GLN      O  638   4.991   3.262   3.537  0.1628 -0.8086  0.2168
+   42ALA      N  639   4.831   3.417   3.530 -0.3877 -0.3423 -0.0119
+   42ALA      H  640   4.737   3.445   3.506  0.2718  3.3486  1.3665
+   42ALA     CA  641   4.916   3.524   3.580 -0.5397 -0.2663  0.0812
+   42ALA     HA  642   5.005   3.502   3.522 -0.4987  1.3791 -0.4975
+   42ALA     CB  643   4.869   3.664   3.543 -0.1893 -0.1216  0.1880
+   42ALA    HB1  644   4.949   3.735   3.566 -0.2817 -0.1739  0.6830
+   42ALA    HB2  645   4.840   3.666   3.438  0.3424 -0.0635  0.0405
+   42ALA    HB3  646   4.778   3.696   3.593 -0.9675 -0.4583 -1.0053
+   42ALA      C  647   4.962   3.507   3.724  0.1631 -0.4320 -0.1590
+   42ALA      O  648   4.881   3.486   3.815  0.1221  0.0170 -0.0908
+   43THR      N  649   5.088   3.545   3.747 -0.0473  0.2078 -0.0415
+   43THR      H  650   5.151   3.547   3.669  1.2260  0.6558  0.9708
+   43THR     CA  651   5.146   3.566   3.879  0.6356 -0.2867 -0.2635
+   43THR     HA  652   5.063   3.601   3.941  0.2392  2.2116 -2.1439
+   43THR     CB  653   5.202   3.437   3.938 -0.2212 -0.4141  0.2842
+   43THR     HB  654   5.251   3.472   4.029  0.7818 -0.2089 -0.3269
+   43THR    CG2  655   5.097   3.333   3.978 -0.1713 -0.8760 -0.7718
+   43THR   HG21  656   5.149   3.247   4.020  0.0149  0.3226  1.5256
+   43THR   HG22  657   5.035   3.380   4.054  0.0795  0.7492 -1.5324
+   43THR   HG23  658   5.032   3.299   3.898 -0.6686 -0.4852 -0.5333
+   43THR    OG1  659   5.302   3.373   3.861  0.1635  0.3340  0.1548
+   43THR    HG1  660   5.255   3.320   3.796  1.7998 -0.2826 -0.5559
+   43THR      C  661   5.262   3.664   3.876  0.4649 -0.0750  0.1641
+   43THR      O  662   5.349   3.659   3.790  0.0989  0.6976 -0.2531
+   44ASN      N  663   5.257   3.750   3.978 -0.1507 -0.3527  0.3730
+   44ASN      H  664   5.174   3.751   4.035  0.4669  3.0849  1.3167
+   44ASN     CA  665   5.359   3.851   3.997 -0.2776 -0.1302 -0.1290
+   44ASN     HA  666   5.449   3.811   3.950 -0.1707  0.0195 -0.0506
+   44ASN     CB  667   5.308   3.981   3.936  0.3021  0.1849  0.0536
+   44ASN    HB1  668   5.385   4.058   3.947 -0.3752  0.6638  1.6092
+   44ASN    HB2  669   5.222   4.028   3.985  0.0139 -0.5684  0.2740
+   44ASN     CG  670   5.277   3.980   3.787 -0.0420  0.1406  0.1251
+   44ASN    OD1  671   5.359   3.997   3.697 -0.4094  0.1163 -0.2171
+   44ASN    ND2  672   5.153   3.941   3.759  0.1479  0.0529 -0.6128
+   44ASN   HD21  673   5.089   3.910   3.831  0.1008  0.9264 -0.2818
+   44ASN   HD22  674   5.126   3.922   3.664  3.1499  0.4799 -1.5999
+   44ASN      C  675   5.388   3.866   4.146 -0.1038 -0.0218 -0.1726
+   44ASN      O  676   5.297   3.864   4.229  0.3858  0.4777  0.3783
+   45ARG      N  677   5.515   3.883   4.181 -0.1411  0.0297 -0.0614
+   45ARG      H  678   5.587   3.887   4.110 -0.1918  0.4265 -0.0894
+   45ARG     CA  679   5.567   3.880   4.316 -0.0832  0.0437 -0.0830
+   45ARG     HA  680   5.494   3.832   4.381 -2.1109  1.1265 -1.5319
+   45ARG     CB  681   5.704   3.813   4.308 -0.0764  0.0568 -0.0704
+   45ARG    HB1  682   5.767   3.874   4.243 -0.8269  1.7984  0.8154
+   45ARG    HB2  683   5.690   3.718   4.255  1.0508  0.2789 -0.7967
+   45ARG     CG  684   5.786   3.794   4.435  0.0146 -0.1092 -0.1533
+   45ARG    HG1  685   5.767   3.885   4.493 -0.4365 -0.0249 -0.4295
+   45ARG    HG2  686   5.893   3.788   4.412  0.0193  1.0921 -0.4719
+   45ARG     CD  687   5.763   3.671   4.523  0.8671 -0.1712 -0.0132
+   45ARG    HD1  688   5.661   3.651   4.556 -0.1133  3.4654 -0.6202
+   45ARG    HD2  689   5.828   3.678   4.610  1.8986 -4.2959 -0.3438
+   45ARG     NE  690   5.811   3.557   4.445  0.2351 -0.2635 -0.2640
+   45ARG     HE  691   5.746   3.533   4.371 -2.8573  0.7171  2.0330
+   45ARG     CZ  692   5.913   3.472   4.460  0.2066 -0.1339  0.6520
+   45ARG    NH1  693   6.008   3.487   4.553  0.3889 -0.5879  0.5390
+   45ARG   HH11  694   6.003   3.548   4.633 -0.2882 -1.1412  0.9275
+   45ARG   HH12  695   6.094   3.434   4.544  0.5966 -0.2171  0.3571
+   45ARG    NH2  696   5.929   3.373   4.372  0.3742  0.2328  0.2716
+   45ARG   HH21  697   5.874   3.366   4.288  0.1230 -1.0257  0.5246
+   45ARG   HH22  698   5.990   3.293   4.381 -1.5419 -1.2688  0.2844
+   45ARG      C  699   5.586   4.024   4.360  0.5956 -0.0598 -0.0235
+   45ARG      O  700   5.586   4.116   4.278  0.2946 -0.2295 -0.2189
+   46ASN      N  701   5.570   4.055   4.489  0.3589  0.1993 -0.1139
+   46ASN      H  702   5.566   3.978   4.554 -1.4361  1.0099  0.7604
+   46ASN     CA  703   5.592   4.186   4.547  0.0822  0.1101  0.1995
+   46ASN     HA  704   5.595   4.261   4.467  1.6908 -0.6261 -0.4628
+   46ASN     CB  705   5.479   4.228   4.640 -0.0194 -0.2178  0.2248
+   46ASN    HB1  706   5.497   4.331   4.672 -1.3432  0.0738  0.0516
+   46ASN    HB2  707   5.475   4.162   4.727  1.4197  1.2749  1.4629
+   46ASN     CG  708   5.343   4.233   4.573  0.2947 -0.1604 -0.4028
+   46ASN    OD1  709   5.245   4.220   4.646 -0.0938  0.1337 -0.8654
+   46ASN    ND2  710   5.325   4.254   4.442 -0.3992 -0.6805 -0.3944
+   46ASN   HD21  711   5.397   4.255   4.370 -0.7609 -1.4646 -0.7721
+   46ASN   HD22  712   5.228   4.267   4.418 -0.3665 -1.4207 -0.9397
+   46ASN      C  713   5.727   4.188   4.618  0.1898 -0.3766  0.0115
+   46ASN      O  714   5.782   4.085   4.656  0.6900  0.0790  0.5267
+   47THR      N  715   5.776   4.309   4.644 -0.2118 -0.1630 -0.2197
+   47THR      H  716   5.728   4.387   4.602  1.5176  0.5518 -0.9126
+   47THR     CA  717   5.899   4.332   4.718 -0.3534  0.1010 -0.0654
+   47THR     HA  718   5.982   4.295   4.658 -1.6852  1.4186 -2.8516
+   47THR     CB  719   5.929   4.481   4.727  0.1583  0.0102 -0.2678
+   47THR     HB  720   6.020   4.496   4.786 -0.3044  0.2540  0.3840
+   47THR    CG2  721   5.961   4.544   4.591  0.3011 -0.1041 -0.2869
+   47THR   HG21  722   5.885   4.529   4.515 -0.7044 -1.5508  0.9526
+   47THR   HG22  723   5.964   4.652   4.602 -0.0539  0.1500 -2.5012
+   47THR   HG23  724   6.053   4.496   4.557 -0.6416 -1.8897 -0.3578
+   47THR    OG1  725   5.819   4.551   4.781  0.0076 -0.3536 -0.0989
+   47THR    HG1  726   5.844   4.638   4.816 -1.8513  0.4209 -0.6518
+   47THR      C  727   5.903   4.277   4.860 -0.0105 -0.1388 -0.1654
+   47THR      O  728   6.003   4.221   4.902  0.2666  0.6244  0.2049
+   48ASP      N  729   5.784   4.282   4.921  0.2710 -0.2080  0.3931
+   48ASP      H  730   5.710   4.319   4.862 -1.6655 -0.4208  2.6193
+   48ASP     CA  731   5.755   4.221   5.049 -0.6066  0.2199  0.3991
+   48ASP     HA  732   5.837   4.243   5.116 -0.9561  0.0842  0.8752
+   48ASP     CB  733   5.626   4.281   5.104 -0.3915  0.5915  0.4984
+   48ASP    HB1  734   5.653   4.383   5.132  1.4385  0.1637  0.3041
+   48ASP    HB2  735   5.611   4.226   5.197  0.0264  1.8118  1.3001
+   48ASP     CG  736   5.499   4.264   5.021  0.2566  0.2625 -0.4329
+   48ASP    OD1  737   5.444   4.153   5.006  0.3342  0.0685  0.6236
+   48ASP    OD2  738   5.442   4.368   4.981 -0.2070 -0.1020 -0.7162
+   48ASP      C  739   5.758   4.069   5.047  0.1938  0.2431 -0.3091
+   48ASP      O  740   5.746   4.004   5.151  0.5638  0.5034 -0.0993
+   49GLY      N  741   5.779   4.003   4.933 -0.1074  0.0231 -0.2383
+   49GLY      H  742   5.788   4.058   4.849  1.8590  0.4459  0.2176
+   49GLY     CA  743   5.774   3.860   4.910 -0.3670  0.0858 -0.5671
+   49GLY    HA1  744   5.828   3.810   4.990  0.0764 -0.1663 -1.0198
+   49GLY    HA2  745   5.835   3.839   4.822 -0.2434  0.1227 -0.4899
+   49GLY      C  746   5.640   3.787   4.910 -0.2374 -0.1644  0.4204
+   49GLY      O  747   5.632   3.664   4.905 -0.1253 -0.1532 -0.1057
+   50SER      N  748   5.530   3.862   4.903 -0.1260 -0.0082  0.3397
+   50SER      H  749   5.532   3.962   4.912 -0.8115 -0.1129  1.8286
+   50SER     CA  750   5.401   3.808   4.865 -0.3047  0.9475 -0.4127
+   50SER     HA  751   5.404   3.710   4.912  0.7574  1.0097 -0.3525
+   50SER     CB  752   5.282   3.876   4.932 -0.0819 -0.0257  0.9781
+   50SER    HB1  753   5.295   3.877   5.040 -0.6437  0.3204  1.0462
+   50SER    HB2  754   5.191   3.821   4.911 -0.9483  1.6313  0.2381
+   50SER     OG  755   5.260   4.008   4.886 -0.3383 -0.5624 -0.4480
+   50SER     HG  756   5.337   4.052   4.921 -0.2801 -1.0624  0.0525
+   50SER      C  757   5.386   3.796   4.714 -0.1650 -0.3230 -0.3274
+   50SER      O  758   5.472   3.840   4.638 -0.3476  0.2780 -0.1864
+   51THR      N  759   5.278   3.729   4.671 -0.2449 -0.2966 -0.1689
+   51THR      H  760   5.210   3.693   4.736 -2.0434  1.6232 -0.9479
+   51THR     CA  761   5.251   3.701   4.531 -0.2039  0.2231 -0.2829
+   51THR     HA  762   5.309   3.775   4.477  1.5286  0.6881  2.1109
+   51THR     CB  763   5.300   3.564   4.484 -0.0486  0.2593 -0.2263
+   51THR     HB  764   5.242   3.489   4.537  0.7758  1.4978  2.4886
+   51THR    CG2  765   5.291   3.535   4.334 -0.3305 -0.2684 -0.1104
+   51THR   HG21  766   5.353   3.450   4.308  1.0470  0.2402  1.4340
+   51THR   HG22  767   5.185   3.526   4.311 -0.1225 -0.9164 -0.8479
+   51THR   HG23  768   5.338   3.616   4.279  0.6125 -0.6893  0.0596
+   51THR    OG1  769   5.434   3.536   4.516 -0.1145 -0.2236 -0.3685
+   51THR    HG1  770   5.453   3.602   4.583 -0.2548 -0.9362  0.3813
+   51THR      C  771   5.103   3.721   4.501 -0.3114 -0.0698  0.0367
+   51THR      O  772   5.019   3.671   4.576 -0.1711  0.0559  0.2799
+   52ASP      N  773   5.069   3.797   4.396 -0.1163 -0.3023 -0.1933
+   52ASP      H  774   5.144   3.851   4.355  0.2414 -1.4482 -1.0767
+   52ASP     CA  775   4.941   3.810   4.330 -0.0634  0.4059 -0.1522
+   52ASP     HA  776   4.862   3.806   4.405 -0.2915 -1.2230 -0.4752
+   52ASP     CB  777   4.946   3.949   4.265  0.5510  0.3130 -0.3087
+   52ASP    HB1  778   4.859   3.953   4.199 -1.2117  1.0909  1.9777
+   52ASP    HB2  779   5.035   3.952   4.203  0.4445 -2.0851 -0.6577
+   52ASP     CG  780   4.957   4.066   4.361 -0.1772  0.3501 -0.2692
+   52ASP    OD1  781   4.929   4.046   4.481 -0.4686 -0.5158 -0.4789
+   52ASP    OD2  782   4.991   4.183   4.331 -0.6142  0.4683 -0.3230
+   52ASP      C  783   4.922   3.698   4.229  0.3981  0.4158 -0.2494
+   52ASP      O  784   5.004   3.661   4.145  0.1584 -0.1046 -0.2582
+   53TYR      N  785   4.804   3.636   4.237  0.2059  0.6633 -1.1646
+   53TYR      H  786   4.745   3.660   4.316  0.4249 -0.6964 -0.5824
+   53TYR     CA  787   4.762   3.519   4.164  0.2651 -0.0758 -0.0235
+   53TYR     HA  788   4.842   3.503   4.091 -0.5476  1.5569 -1.3090
+   53TYR     CB  789   4.748   3.398   4.256 -0.1383  0.4520  0.6056
+   53TYR    HB1  790   4.707   3.318   4.194  3.7575 -0.7588 -0.4924
+   53TYR    HB2  791   4.672   3.420   4.332 -0.1034  0.2567  0.6969
+   53TYR     CG  792   4.870   3.345   4.326  0.3139  0.3818 -0.2323
+   53TYR    CD1  793   4.918   3.413   4.439  0.3552 -0.1586  0.0770
+   53TYR    HD1  794   4.856   3.484   4.492  0.5236 -0.7102  1.0391
+   53TYR    CE1  795   5.028   3.364   4.509  0.1845 -0.3188  0.2320
+   53TYR    HE1  796   5.053   3.410   4.604 -1.3657 -1.7375  1.3639
+   53TYR     CZ  797   5.102   3.256   4.456 -0.1630 -0.2713 -0.3504
+   53TYR     OH  798   5.215   3.210   4.517 -0.1958  0.1707  0.0484
+   53TYR     HH  799   5.252   3.134   4.472 -1.0451  1.3047 -2.6583
+   53TYR    CE2  800   5.064   3.198   4.333  0.9362  0.1311 -0.8876
+   53TYR    HE2  801   5.127   3.119   4.295  0.7884 -1.1673  1.4824
+   53TYR    CD2  802   4.945   3.239   4.273 -0.0525 -0.3561  0.7073
+   53TYR    HD2  803   4.915   3.206   4.175  1.7061  2.0355 -0.7074
+   53TYR      C  804   4.635   3.547   4.085 -0.0115 -0.6438  0.2170
+   53TYR      O  805   4.534   3.596   4.135  0.0397 -0.2392 -0.0770
+   54GLY      N  806   4.635   3.503   3.959  0.1582 -0.2660  0.0866
+   54GLY      H  807   4.722   3.474   3.916 -0.8100 -3.5125  0.2626
+   54GLY     CA  808   4.518   3.473   3.879  0.1442 -0.4825  0.1888
+   54GLY    HA1  809   4.439   3.448   3.949 -0.1860 -1.7382 -0.6156
+   54GLY    HA2  810   4.532   3.377   3.830  2.9627 -0.8104  1.5717
+   54GLY      C  811   4.473   3.582   3.782  0.1066 -0.4082  0.2892
+   54GLY      O  812   4.546   3.679   3.764  0.3592 -0.6070  0.2346
+   55ILE      N  813   4.351   3.570   3.730  0.0678  0.3122  0.2124
+   55ILE      H  814   4.317   3.475   3.737  3.3187 -0.9968 -1.0730
+   55ILE     CA  815   4.287   3.673   3.650 -0.0161 -0.2356 -0.4271
+   55ILE     HA  816   4.361   3.700   3.575 -0.0098  0.0364 -0.3209
+   55ILE     CB  817   4.164   3.610   3.586 -0.3083 -0.1394  0.0364
+   55ILE     HB  818   4.205   3.522   3.537 -0.4015  0.0461 -0.3807
+   55ILE    CG2  819   4.043   3.577   3.673 -0.5574 -0.0803 -0.2821
+   55ILE   HG21  820   3.969   3.529   3.609 -0.6641  0.1925 -0.3651
+   55ILE   HG22  821   4.070   3.500   3.745 -2.4196 -0.6382 -0.1617
+   55ILE   HG23  822   3.999   3.669   3.712 -2.3897 -1.0611  0.0445
+   55ILE    CG1  823   4.118   3.693   3.466 -0.0857  0.3285  0.2746
+   55ILE   HG11  824   4.213   3.724   3.421  0.1393 -1.2756 -0.4031
+   55ILE   HG12  825   4.049   3.772   3.493  0.7101  0.9428  0.5270
+   55ILE     CD  826   4.049   3.604   3.363  1.0271 -0.4519  0.1876
+   55ILE    HD1  827   3.951   3.575   3.400 -0.2038  1.5244 -1.4426
+   55ILE    HD2  828   4.033   3.670   3.277 -0.5338 -0.8341  0.1620
+   55ILE    HD3  829   4.108   3.516   3.339  0.3143 -0.4695 -1.6014
+   55ILE      C  830   4.261   3.804   3.722  1.0023 -0.2783  0.0301
+   55ILE      O  831   4.244   3.905   3.654 -0.1212 -0.6057 -0.1864
+   56LEU      N  832   4.264   3.811   3.855  0.1127  0.0786  0.0403
+   56LEU      H  833   4.268   3.722   3.903 -0.2838 -0.5328 -1.0549
+   56LEU     CA  834   4.238   3.926   3.940 -0.0905 -0.0829  0.1983
+   56LEU     HA  835   4.241   4.014   3.876 -1.4023  0.5377  0.9812
+   56LEU     CB  836   4.102   3.917   4.008 -0.0695  0.2328  0.2804
+   56LEU    HB1  837   4.105   3.989   4.090 -1.0877  0.3925  0.1846
+   56LEU    HB2  838   4.089   3.816   4.047 -0.7556  1.0477  2.2464
+   56LEU     CG  839   3.974   3.959   3.937  0.1004  0.4963  0.1281
+   56LEU     HG  840   3.949   3.889   3.857 -1.0209  3.0140 -1.8033
+   56LEU    CD1  841   3.851   3.961   4.028  0.1537  0.4922  0.1998
+   56LEU   HD11  842   3.766   4.010   3.981 -0.6842  0.2551  1.4512
+   56LEU   HD12  843   3.833   3.857   4.055  0.0742  0.3145 -0.5385
+   56LEU   HD13  844   3.874   4.023   4.115  0.7746  1.8935 -0.9420
+   56LEU    CD2  845   3.979   4.098   3.874 -0.6207  0.0098 -1.0157
+   56LEU   HD21  846   3.895   4.132   3.814  0.4562  0.3477 -2.3720
+   56LEU   HD22  847   3.993   4.171   3.954 -1.2242  0.7574 -1.5850
+   56LEU   HD23  848   4.066   4.103   3.807  0.2698  3.4949  0.2735
+   56LEU      C  849   4.347   3.955   4.041  0.0356 -0.1061  0.0699
+   56LEU      O  850   4.327   4.035   4.133 -0.1619 -0.6279  0.4862
+   57GLN      N  851   4.462   3.889   4.026  0.2308  0.1770  0.2898
+   57GLN      H  852   4.466   3.814   3.958  0.8041  1.0442 -0.6393
+   57GLN     CA  853   4.578   3.921   4.107  0.5274 -0.2156  0.0217
+   57GLN     HA  854   4.628   3.824   4.106  0.8324 -0.0694  0.7155
+   57GLN     CB  855   4.651   4.037   4.040 -0.6595  0.4979 -0.0576
+   57GLN    HB1  856   4.730   4.083   4.100 -0.3621  0.7853 -0.6673
+   57GLN    HB2  857   4.577   4.115   4.023 -1.5265 -0.2230  0.3732
+   57GLN     CG  858   4.710   4.005   3.902  0.1058  0.0732  0.3641
+   57GLN    HG1  859   4.750   4.098   3.864 -0.7568 -0.2669 -1.4014
+   57GLN    HG2  860   4.637   3.959   3.835 -0.7771  2.1093 -0.0980
+   57GLN     CD  861   4.822   3.902   3.911  0.1131  0.0671  0.2063
+   57GLN    OE1  862   4.931   3.954   3.931  0.3092 -0.1919 -0.1833
+   57GLN    NE2  863   4.798   3.771   3.905  0.0981  0.1016 -0.5542
+   57GLN   HE21  864   4.713   3.735   3.864  0.8663 -0.4406 -1.7123
+   57GLN   HE22  865   4.879   3.713   3.918 -0.8074 -1.3603 -1.2997
+   57GLN      C  866   4.551   3.940   4.256  0.0548 -0.2211 -0.0617
+   57GLN      O  867   4.579   4.046   4.311 -0.2269 -0.4237  0.4676
+   58ILE      N  868   4.500   3.833   4.315  0.2327 -0.0608  0.3796
+   58ILE      H  869   4.485   3.745   4.268 -2.0001  0.0833  0.7920
+   58ILE     CA  870   4.467   3.827   4.456 -0.0474 -0.1036  0.3124
+   58ILE     HA  871   4.417   3.918   4.488 -2.1358 -0.7740 -0.9866
+   58ILE     CB  872   4.356   3.724   4.477 -0.6160  0.3762 -0.3172
+   58ILE     HB  873   4.378   3.631   4.425 -1.5392  0.4265 -0.8000
+   58ILE    CG2  874   4.332   3.695   4.625  0.5896 -0.3972 -0.2599
+   58ILE   HG21  875   4.264   3.610   4.635 -1.2783  1.0427 -0.5211
+   58ILE   HG22  876   4.426   3.656   4.664 -1.4110 -4.1471  1.1217
+   58ILE   HG23  877   4.289   3.778   4.681 -0.1072 -0.6703 -0.3870
+   58ILE    CG1  878   4.232   3.780   4.408 -0.6522  0.3629 -0.2606
+   58ILE   HG11  879   4.254   3.825   4.311  0.0232 -2.6214 -1.5676
+   58ILE   HG12  880   4.191   3.866   4.460 -0.4713  0.3771 -0.1399
+   58ILE     CD  881   4.123   3.675   4.392  0.1505 -0.4888 -0.2440
+   58ILE    HD1  882   4.161   3.592   4.333 -4.3370 -1.2309 -2.3480
+   58ILE    HD2  883   4.091   3.650   4.494  0.0422 -1.1068 -0.4333
+   58ILE    HD3  884   4.041   3.720   4.336 -1.3628 -1.3426  1.2112
+   58ILE      C  885   4.596   3.801   4.533  0.0431  0.2641  0.2850
+   58ILE      O  886   4.675   3.713   4.499 -0.1895  0.2470 -0.2111
+   59ASN      N  887   4.619   3.881   4.638 -0.5769 -0.0499  0.6579
+   59ASN      H  888   4.546   3.949   4.657 -0.2058  0.1572  1.3228
+   59ASN     CA  889   4.743   3.888   4.712 -0.5782  0.3770  0.6209
+   59ASN     HA  890   4.824   3.867   4.642  0.5954  0.6401  1.8704
+   59ASN     CB  891   4.773   4.029   4.761 -0.1045  0.4552  0.1137
+   59ASN    HB1  892   4.695   4.054   4.833 -0.7314  0.4550 -0.5625
+   59ASN    HB2  893   4.772   4.096   4.675  1.9543 -2.3297 -2.1961
+   59ASN     CG  894   4.912   4.023   4.823 -0.1719 -0.4087  0.1838
+   59ASN    OD1  895   4.922   4.017   4.946  0.2161  0.1341  0.1811
+   59ASN    ND2  896   5.018   4.004   4.745 -0.0317  0.0048  0.2696
+   59ASN   HD21  897   4.996   3.980   4.649 -0.3311 -1.4701  0.6939
+   59ASN   HD22  898   5.110   3.994   4.784 -0.4706  2.8629  2.1521
+   59ASN      C  899   4.751   3.786   4.825 -0.2742 -0.1221  0.1512
+   59ASN      O  900   4.665   3.767   4.910 -0.2326 -0.0309  0.2121
+   60SER      N  901   4.859   3.708   4.827 -0.0732  0.1666  0.4825
+   60SER      H  902   4.919   3.725   4.747  1.9400  0.4846  2.0047
+   60SER     CA  903   4.899   3.610   4.926 -0.0662 -0.0045  0.3119
+   60SER     HA  904   4.814   3.545   4.942  0.3205 -1.0178 -1.6296
+   60SER     CB  905   5.007   3.517   4.874  0.0263  0.2030  0.1322
+   60SER    HB1  906   4.971   3.475   4.780 -0.2782  2.1474 -0.6411
+   60SER    HB2  907   5.019   3.439   4.949  1.6298  1.0858  0.8295
+   60SER     OG  908   5.134   3.573   4.847 -0.1652  0.4167 -0.3397
+   60SER     HG  909   5.187   3.494   4.858 -0.5896  0.3438  1.4414
+   60SER      C  910   4.938   3.659   5.065 -0.0219  0.5850  0.0960
+   60SER      O  911   4.964   3.578   5.154  0.4654  0.1801 -0.4105
+   61ARG      N  912   4.943   3.789   5.093 -0.0312  0.6053  0.0018
+   61ARG      H  913   4.925   3.847   5.012  1.9989  1.2154 -0.0516
+   61ARG     CA  914   4.963   3.844   5.225  0.2055  0.2631  0.1080
+   61ARG     HA  915   5.047   3.798   5.278  0.0709  1.4162  1.3579
+   61ARG     CB  916   4.995   3.992   5.207  0.0503  0.2859  0.0247
+   61ARG    HB1  917   4.910   4.051   5.173  1.3480  1.6385 -0.9557
+   61ARG    HB2  918   5.084   3.991   5.145  0.7996  1.5315  1.0459
+   61ARG     CG  919   5.031   4.069   5.334  0.1246 -0.1109  0.2442
+   61ARG    HG1  920   4.957   4.061   5.413 -0.7448 -2.6902 -0.7768
+   61ARG    HG2  921   5.033   4.174   5.304  0.2741 -0.1655  0.0611
+   61ARG     CD  922   5.163   4.036   5.404  0.0840 -0.0837  0.3351
+   61ARG    HD1  923   5.167   3.932   5.434 -4.6699 -0.0829  1.3582
+   61ARG    HD2  924   5.191   4.099   5.488  0.3716  0.2025  0.0285
+   61ARG     NE  925   5.272   4.052   5.307 -0.5100  0.2018 -0.2919
+   61ARG     HE  926   5.260   4.116   5.230  2.3045  0.4460 -0.5677
+   61ARG     CZ  927   5.391   3.992   5.322 -0.0605  1.1026 -0.2117
+   61ARG    NH1  928   5.423   3.914   5.427 -0.6306  0.4271 -0.5356
+   61ARG   HH11  929   5.365   3.907   5.509 -2.2949 -2.8661 -1.9064
+   61ARG   HH12  930   5.514   3.873   5.438 -0.8599  0.3616  1.2914
+   61ARG    NH2  931   5.487   4.001   5.230  0.1007  0.0542 -0.1524
+   61ARG   HH21  932   5.466   4.056   5.147  0.2478 -0.3936 -0.4884
+   61ARG   HH22  933   5.574   3.951   5.237 -0.5373 -1.2295 -1.1573
+   61ARG      C  934   4.835   3.833   5.307  0.1172 -0.1473 -0.0848
+   61ARG      O  935   4.837   3.802   5.426  0.1000 -0.3340 -0.1330
+   62TRP      N  936   4.719   3.851   5.244  0.1439  0.5389  0.0643
+   62TRP      H  937   4.723   3.894   5.152  3.2818 -1.0768 -0.6376
+   62TRP     CA  938   4.590   3.842   5.309  0.3652 -0.1142  0.4188
+   62TRP     HA  939   4.598   3.835   5.417  1.6254 -0.5995  0.3016
+   62TRP     CB  940   4.520   3.975   5.281  0.3447 -0.1588  0.2572
+   62TRP    HB1  941   4.432   3.988   5.344  0.1163 -2.6964  0.5146
+   62TRP    HB2  942   4.474   3.973   5.182  2.5870  0.1318 -0.8284
+   62TRP     CG  943   4.607   4.097   5.292  0.5430 -0.2331 -0.4448
+   62TRP    CD1  944   4.667   4.165   5.192  0.2983  0.0189 -0.4224
+   62TRP    HD1  945   4.655   4.153   5.085  0.5787  1.0292 -0.5662
+   62TRP    NE1  946   4.747   4.264   5.245 -0.1017  0.1737 -0.1042
+   62TRP    HE1  947   4.803   4.332   5.196 -0.9198  0.5825 -0.4665
+   62TRP    CE2  948   4.746   4.265   5.383  0.3701 -0.4391 -0.0923
+   62TRP    CZ2  949   4.806   4.352   5.475 -0.4904  0.5966 -0.4961
+   62TRP    HZ2  950   4.885   4.420   5.446 -1.0082  1.2854 -0.2973
+   62TRP    CH2  951   4.778   4.321   5.609 -0.2253  0.3858 -0.4889
+   62TRP    HH2  952   4.824   4.375   5.690  2.4410 -2.8204  0.2229
+   62TRP    CZ3  953   4.698   4.212   5.647  0.3192  0.0019 -0.4401
+   62TRP    HZ3  954   4.682   4.191   5.752  1.9100  3.7905  0.6580
+   62TRP    CE3  955   4.634   4.135   5.550  0.4727 -0.4107 -0.2133
+   62TRP    HE3  956   4.561   4.059   5.576  0.5198  0.0559  1.3749
+   62TRP    CD2  957   4.657   4.159   5.414  0.0717 -0.2351 -0.2491
+   62TRP      C  958   4.509   3.721   5.265  0.0453  0.3091 -0.1770
+   62TRP      O  959   4.466   3.648   5.354  0.3488  0.4596  0.0948
+   63TRP      N  960   4.493   3.693   5.136  0.1975  0.1113 -0.1542
+   63TRP      H  961   4.543   3.757   5.076 -0.6507 -0.4312 -1.4781
+   63TRP     CA  962   4.372   3.632   5.083  0.3642 -0.0129 -0.3910
+   63TRP     HA  963   4.294   3.650   5.156 -2.0222 -0.4082 -2.7818
+   63TRP     CB  964   4.338   3.709   4.956 -0.4066  0.3107  0.0134
+   63TRP    HB1  965   4.240   3.681   4.916 -0.0082  1.1901 -1.6196
+   63TRP    HB2  966   4.419   3.699   4.884  0.3642  0.3455  0.8623
+   63TRP     CG  967   4.307   3.853   4.985 -0.0382  0.3840  0.0378
+   63TRP    CD1  968   4.367   3.965   4.938  0.0772  0.1104 -0.4775
+   63TRP    HD1  969   4.454   3.963   4.874  0.8117  1.4929  0.4315
+   63TRP    NE1  970   4.309   4.077   4.994  0.4074  0.0968 -0.1021
+   63TRP    HE1  971   4.331   4.173   4.970  1.2368  0.4971  2.1664
+   63TRP    CE2  972   4.226   4.042   5.098  0.3159  0.3833 -0.0766
+   63TRP    CZ2  973   4.147   4.113   5.190  0.4880 -0.0633  0.4176
+   63TRP    HZ2  974   4.147   4.220   5.198 -1.0956 -0.0387  0.1552
+   63TRP    CH2  975   4.050   4.042   5.261 -0.1204  0.1471 -0.1919
+   63TRP    HH2  976   3.993   4.090   5.339 -1.4112  0.9763 -1.6164
+   63TRP    CZ3  977   4.018   3.910   5.227  0.3524  0.1204 -0.5352
+   63TRP    HZ3  978   3.937   3.853   5.271 -0.1964  0.7551 -0.7198
+   63TRP    CE3  979   4.098   3.837   5.138  0.8038 -0.5636  0.4179
+   63TRP    HE3  980   4.085   3.730   5.132  3.3735 -0.8997  0.0174
+   63TRP    CD2  981   4.204   3.904   5.074  0.1876  0.3334  0.3282
+   63TRP      C  982   4.388   3.482   5.064 -0.3902 -0.1636  0.1584
+   63TRP      O  983   4.290   3.408   5.074 -0.6693  0.1650 -0.1369
+   64CYS      N  984   4.507   3.430   5.033 -0.3405  0.0830 -0.0713
+   64CYS      H  985   4.583   3.496   5.031 -0.0684 -0.1974  0.6401
+   64CYS     CA  986   4.537   3.289   5.015 -0.2658  0.1346 -0.3459
+   64CYS     HA  987   4.450   3.238   5.055 -0.6520  0.9367 -0.1437
+   64CYS     CB  988   4.542   3.254   4.866  0.1405  0.0915 -0.3218
+   64CYS    HB1  989   4.439   3.251   4.831 -1.4314 -1.0353  4.0613
+   64CYS    HB2  990   4.583   3.155   4.848 -0.6535 -0.2234 -0.4179
+   64CYS     SG  991   4.655   3.356   4.768  0.2174  0.2163 -0.1025
+   64CYS      C  992   4.663   3.243   5.085 -0.4300  0.3173  0.0706
+   64CYS      O  993   4.749   3.322   5.123 -0.2940  0.0597  0.3002
+   65ASN      N  994   4.680   3.111   5.099  0.4444  0.3966 -0.1655
+   65ASN      H  995   4.602   3.051   5.074 -0.1886  1.9938 -2.1369
+   65ASN     CA  996   4.807   3.052   5.136  0.1874  0.0539  0.1723
+   65ASN     HA  997   4.869   3.132   5.176 -2.4582  1.8280  0.8633
+   65ASN     CB  998   4.788   2.954   5.252 -0.5221  0.0548  0.0595
+   65ASN    HB1  999   4.702   2.887   5.241 -0.5416 -0.7205  4.2286
+   65ASN    HB2 1000   4.769   3.024   5.334  2.0703  0.7939  0.0509
+   65ASN     CG 1001   4.914   2.882   5.296 -0.3750  0.2001 -0.1222
+   65ASN    OD1 1002   5.009   2.949   5.335 -0.2972  0.2647 -0.4216
+   65ASN    ND2 1003   4.918   2.748   5.293  0.7225  0.2242 -0.0064
+   65ASN   HD21 1004   4.844   2.695   5.249 -1.0783  3.5887 -1.2326
+   65ASN   HD22 1005   5.002   2.700   5.321 -0.2557 -2.9805 -2.2692
+   65ASN      C 1006   4.880   2.998   5.014  0.0538  0.1129  0.0649
+   65ASN      O 1007   4.824   2.917   4.940 -0.4416  0.1073  0.4435
+   66ASP      N 1008   4.998   3.055   4.990  0.2162 -0.3524 -0.2497
+   66ASP      H 1009   5.016   3.139   5.043  1.4927  0.3606 -1.7736
+   66ASP     CA 1010   5.105   3.006   4.906  0.2673  0.0900 -0.4470
+   66ASP     HA 1011   5.067   2.930   4.838  1.1477 -2.6449  2.0087
+   66ASP     CB 1012   5.172   3.124   4.836  0.5141  0.0885 -0.2139
+   66ASP    HB1 1013   5.101   3.181   4.776 -1.8803  1.6487  3.8841
+   66ASP    HB2 1014   5.238   3.096   4.754 -0.6143  0.2563 -1.1940
+   66ASP     CG 1015   5.233   3.225   4.932 -0.1633  0.0781  0.2311
+   66ASP    OD1 1016   5.251   3.201   5.054 -0.3553  0.5280  0.3475
+   66ASP    OD2 1017   5.243   3.343   4.893  0.3065 -0.0170  0.0619
+   66ASP      C 1018   5.208   2.927   4.986  0.1589  0.4596  0.0590
+   66ASP      O 1019   5.301   2.875   4.925 -0.1696  0.1245 -0.1664
+   67GLY      N 1020   5.202   2.909   5.118 -0.1772  0.1061 -0.0001
+   67GLY      H 1021   5.134   2.961   5.172  0.2031  0.2102  0.3836
+   67GLY     CA 1022   5.306   2.846   5.197  0.3959  0.5669 -0.3776
+   67GLY    HA1 1023   5.325   2.752   5.145 -0.8115 -0.3863  0.8513
+   67GLY    HA2 1024   5.261   2.824   5.294  1.5010 -0.8730 -0.1772
+   67GLY      C 1025   5.437   2.922   5.202  0.6216  0.1496  0.1072
+   67GLY      O 1026   5.528   2.859   5.256  0.3194 -0.3455  0.0488
+   68ARG      N 1027   5.452   3.038   5.138 -0.3472  0.2498  0.0617
+   68ARG      H 1028   5.363   3.078   5.112  0.3215  0.7210 -1.5966
+   68ARG     CA 1029   5.574   3.116   5.129 -0.0387 -0.2436 -0.0696
+   68ARG     HA 1030   5.627   3.087   5.220  0.2621 -2.5639 -0.9488
+   68ARG     CB 1031   5.657   3.073   5.009 -0.0821 -0.3728 -0.0540
+   68ARG    HB1 1032   5.665   2.964   5.004  2.1587 -0.2419 -0.0426
+   68ARG    HB2 1033   5.759   3.111   5.008  0.7044 -2.3652 -4.2144
+   68ARG     CG 1034   5.592   3.129   4.883 -0.2710 -0.0360  0.1896
+   68ARG    HG1 1035   5.545   3.224   4.907  3.6642  2.5983 -1.8661
+   68ARG    HG2 1036   5.519   3.058   4.845  0.2496 -0.4984  0.0313
+   68ARG     CD 1037   5.698   3.157   4.776 -0.3543  0.2692  0.1870
+   68ARG    HD1 1038   5.719   3.057   4.738  1.9523  0.8947 -0.2962
+   68ARG    HD2 1039   5.783   3.205   4.826  1.5896 -2.0224 -0.7890
+   68ARG     NE 1040   5.643   3.246   4.675  0.4478  0.5990  0.0371
+   68ARG     HE 1041   5.596   3.331   4.704 -0.4463  0.6688 -1.5817
+   68ARG     CZ 1042   5.636   3.225   4.543 -0.0301  0.0944  0.1435
+   68ARG    NH1 1043   5.686   3.111   4.493  0.3212  0.3026  0.0205
+   68ARG   HH11 1044   5.720   3.040   4.556 -1.3498  0.5094  1.1966
+   68ARG   HH12 1045   5.686   3.094   4.393 -1.0478  1.0778 -0.1159
+   68ARG    NH2 1046   5.584   3.310   4.454 -0.0389 -0.0033  0.0536
+   68ARG   HH21 1047   5.529   3.390   4.483 -1.2122  0.6879 -3.7750
+   68ARG   HH22 1048   5.579   3.279   4.358  0.8357  0.4806 -0.1566
+   68ARG      C 1049   5.568   3.264   5.165  0.2898 -0.1386 -0.4476
+   68ARG      O 1050   5.671   3.331   5.160 -0.0267  0.4526  0.7186
+   69THR      N 1051   5.450   3.303   5.215  0.6181  0.0579  0.1764
+   69THR      H 1052   5.364   3.254   5.193 -0.0331 -0.5867  3.7594
+   69THR     CA 1053   5.442   3.435   5.273 -0.4568  0.1921 -0.2706
+   69THR     HA 1054   5.534   3.487   5.247 -0.3741  0.0721 -0.2175
+   69THR     CB 1055   5.327   3.514   5.211 -0.9324 -0.3092 -0.0389
+   69THR     HB 1056   5.237   3.453   5.213 -0.2183 -1.3837 -0.4698
+   69THR    CG2 1057   5.299   3.644   5.287 -0.4982 -0.5735  0.5807
+   69THR   HG21 1058   5.388   3.706   5.278 -0.9719  0.0980  0.4601
+   69THR   HG22 1059   5.227   3.694   5.222 -1.0930 -0.9125  0.9769
+   69THR   HG23 1060   5.270   3.625   5.390  0.2246  1.1379  1.1082
+   69THR    OG1 1061   5.346   3.544   5.074 -0.0061 -0.0970  0.1304
+   69THR    HG1 1062   5.311   3.468   5.027  0.7238  0.9734 -2.2404
+   69THR      C 1063   5.426   3.415   5.423  0.3703 -0.3430 -0.2528
+   69THR      O 1064   5.313   3.385   5.461  0.3631  0.4446  0.3529
+   70PRO      N 1065   5.532   3.421   5.504  0.2029 -0.3515 -0.0306
+   70PRO     CD 1066   5.672   3.432   5.465  0.0452  0.0152 -0.5057
+   70PRO    HD1 1067   5.686   3.508   5.389 -1.7034 -1.5198 -2.4290
+   70PRO    HD2 1068   5.717   3.336   5.438  1.5812 -0.0462  2.1335
+   70PRO     CG 1069   5.746   3.476   5.590 -0.5388  0.3033 -0.2594
+   70PRO    HG1 1070   5.739   3.584   5.604 -1.6775  0.1227  0.6616
+   70PRO    HG2 1071   5.849   3.442   5.601 -0.1333  1.4838 -0.2824
+   70PRO     CB 1072   5.665   3.419   5.706  0.1396 -0.2146 -0.0389
+   70PRO    HB1 1073   5.671   3.475   5.800 -0.8463 -1.2689  0.6704
+   70PRO    HB2 1074   5.686   3.315   5.733  1.1816 -0.1129 -0.4565
+   70PRO     CA 1075   5.524   3.418   5.648  0.1393 -0.4335 -0.0366
+   70PRO     HA 1076   5.485   3.318   5.669  2.0468 -0.9867  0.9861
+   70PRO      C 1077   5.426   3.524   5.696 -0.2262 -0.5644 -0.4903
+   70PRO      O 1078   5.429   3.640   5.658 -0.6202 -0.4418 -0.1601
+   71GLY      N 1079   5.335   3.483   5.786  0.1983  0.1030  0.2441
+   71GLY      H 1080   5.332   3.383   5.792 -0.7305  0.0317 -1.2539
+   71GLY     CA 1081   5.221   3.556   5.837  0.1302  0.5488 -0.5450
+   71GLY    HA1 1082   5.253   3.653   5.876  0.7042  1.1128 -2.3680
+   71GLY    HA2 1083   5.181   3.492   5.915  0.7865  2.4920  1.4348
+   71GLY      C 1084   5.107   3.585   5.740 -0.2486 -0.1343 -0.2988
+   71GLY      O 1085   5.035   3.683   5.757 -0.2203 -0.0863 -0.4640
+   72SER      N 1086   5.090   3.495   5.643 -0.3412 -0.7118  0.2499
+   72SER      H 1087   5.163   3.426   5.627 -2.1119 -2.3379 -1.0274
+   72SER     CA 1088   4.972   3.509   5.560  0.0340 -0.3337 -0.2188
+   72SER     HA 1089   4.984   3.613   5.533 -0.4504 -0.1296  0.3358
+   72SER     CB 1090   4.988   3.415   5.441  0.0885  0.0182 -0.4862
+   72SER    HB1 1091   5.021   3.315   5.468 -0.0163 -0.6493 -2.7358
+   72SER    HB2 1092   5.062   3.453   5.369  1.4583  0.7830  1.2962
+   72SER     OG 1093   4.864   3.405   5.375  0.0890 -0.1143 -0.4667
+   72SER     HG 1094   4.889   3.375   5.287 -0.1400 -2.4045  0.2149
+   72SER      C 1095   4.852   3.485   5.650  0.1047  0.1015 -0.0055
+   72SER      O 1096   4.856   3.405   5.744 -0.6338  0.5406  0.4026
+   73ARG      N 1097   4.742   3.555   5.619 -0.0053  0.0525  0.2673
+   73ARG      H 1098   4.755   3.617   5.540  1.8557 -0.6305  0.0075
+   73ARG     CA 1099   4.613   3.550   5.684 -0.1376 -0.3918 -0.0276
+   73ARG     HA 1100   4.622   3.512   5.785 -0.4406 -1.9149 -0.5639
+   73ARG     CB 1101   4.548   3.687   5.698  0.7591  0.0535 -0.1960
+   73ARG    HB1 1102   4.446   3.680   5.736  1.1910 -0.2697  0.8989
+   73ARG    HB2 1103   4.555   3.736   5.601 -1.2949  2.9220  1.0316
+   73ARG     CG 1104   4.616   3.763   5.811 -0.5481  0.7379  0.1440
+   73ARG    HG1 1105   4.721   3.780   5.785 -0.2599 -0.3154  0.5848
+   73ARG    HG2 1106   4.600   3.697   5.897  0.2200 -0.1004 -0.3486
+   73ARG     CD 1107   4.547   3.898   5.831 -0.0874  1.0253 -0.2200
+   73ARG    HD1 1108   4.441   3.895   5.807  0.0331  1.6721 -0.8486
+   73ARG    HD2 1109   4.596   3.969   5.765 -0.6530  1.8401  0.2302
+   73ARG     NE 1110   4.574   3.940   5.968 -0.0305  0.3516 -0.0189
+   73ARG     HE 1111   4.648   3.890   6.016  1.2223  1.4783 -0.7368
+   73ARG     CZ 1112   4.523   4.048   6.030  0.0194  0.2513  0.1953
+   73ARG    NH1 1113   4.434   4.126   5.968 -0.4376 -0.6576 -0.3017
+   73ARG   HH11 1114   4.413   4.116   5.870 -0.2379 -1.3257 -0.2817
+   73ARG   HH12 1115   4.401   4.215   6.002  1.0353 -0.1773 -0.1191
+   73ARG    NH2 1116   4.543   4.086   6.157  0.6261 -0.0636  0.1959
+   73ARG   HH21 1117   4.557   4.021   6.234  1.0719 -1.0202 -0.6830
+   73ARG   HH22 1118   4.516   4.181   6.179  2.6121  0.6273 -0.2600
+   73ARG      C 1119   4.511   3.451   5.630  0.1416 -0.5340 -0.2929
+   73ARG      O 1120   4.429   3.400   5.706 -0.3024  0.3181 -0.2054
+   74ASN      N 1121   4.525   3.417   5.501  0.7839 -0.2743 -0.2970
+   74ASN      H 1122   4.587   3.483   5.457  1.7828 -0.3800  0.9281
+   74ASN     CA 1123   4.439   3.330   5.422  0.1650 -0.1119  0.1897
+   74ASN     HA 1124   4.462   3.347   5.317 -0.3829 -0.6859 -0.0237
+   74ASN     CB 1125   4.483   3.185   5.442  0.1205 -0.1492  0.0074
+   74ASN    HB1 1126   4.440   3.154   5.537 -1.5100  1.2686 -0.2421
+   74ASN    HB2 1127   4.590   3.180   5.458  0.5286  3.0490 -1.3050
+   74ASN     CG 1128   4.417   3.090   5.343 -0.3037 -0.2423  0.3735
+   74ASN    OD1 1129   4.334   3.126   5.260 -0.0300 -0.0345  0.1894
+   74ASN    ND2 1130   4.460   2.964   5.355 -0.0871 -0.1924  0.1343
+   74ASN   HD21 1131   4.516   2.927   5.431  2.2881 -0.5679 -1.7381
+   74ASN   HD22 1132   4.428   2.895   5.288 -3.0997  0.7610  0.5213
+   74ASN      C 1133   4.291   3.356   5.447  0.1390 -0.0305 -0.0436
+   74ASN      O 1134   4.218   3.269   5.492  0.3530 -0.5020 -0.5968
+   75LEU      N 1135   4.249   3.479   5.420 -0.3911 -0.1804  0.0995
+   75LEU      H 1136   4.318   3.546   5.389  0.2301 -0.6392  0.4776
+   75LEU     CA 1137   4.114   3.522   5.451 -0.1850  0.2866  0.3565
+   75LEU     HA 1138   4.087   3.494   5.553  2.6348  3.8530  2.2047
+   75LEU     CB 1139   4.116   3.675   5.455  0.0023  0.2872  0.2490
+   75LEU    HB1 1140   4.018   3.719   5.434  1.9413  3.2870 -2.9915
+   75LEU    HB2 1141   4.174   3.705   5.368 -1.9848 -0.9714 -1.5752
+   75LEU     CG 1142   4.194   3.742   5.567  0.3054  0.9122 -0.3341
+   75LEU     HG 1143   4.289   3.689   5.568 -1.4119 -2.2861  1.2160
+   75LEU    CD1 1144   4.205   3.893   5.547  0.7001  0.7443 -1.4421
+   75LEU   HD11 1145   4.279   3.934   5.617 -0.0645  0.6947 -0.5964
+   75LEU   HD12 1146   4.240   3.912   5.446 -0.5573 -1.2753 -2.2806
+   75LEU   HD13 1147   4.110   3.946   5.555  0.3274 -0.2982  1.7628
+   75LEU    CD2 1148   4.121   3.713   5.698  0.1384 -0.3333 -0.6967
+   75LEU   HD21 1149   4.166   3.770   5.779 -0.9238  1.2415 -1.2035
+   75LEU   HD22 1150   4.016   3.741   5.687  0.1993 -0.8958 -3.0996
+   75LEU   HD23 1151   4.115   3.609   5.731  0.8086  0.1452  0.9741
+   75LEU      C 1152   4.004   3.464   5.364  0.0179 -0.1321  0.3745
+   75LEU      O 1153   3.885   3.469   5.396 -0.0197  0.0691  0.2112
+   76CYS      N 1154   4.038   3.400   5.252 -0.1615 -0.1117  0.3067
+   76CYS      H 1155   4.135   3.398   5.224 -0.3422  1.3300 -0.4129
+   76CYS     CA 1156   3.951   3.334   5.157  0.0865  0.1804 -0.1188
+   76CYS     HA 1157   3.857   3.381   5.185  0.2322  0.5431 -0.2251
+   76CYS     CB 1158   3.970   3.380   5.012 -0.4726 -0.2887 -0.3425
+   76CYS    HB1 1159   3.901   3.328   4.946 -0.4323 -0.6060 -0.1360
+   76CYS    HB2 1160   4.074   3.355   4.990  0.1532  3.4786 -2.0560
+   76CYS     SG 1161   3.931   3.555   4.984 -0.0376 -0.1424 -0.0591
+   76CYS      C 1162   3.948   3.184   5.180 -0.0333  0.2314  0.2002
+   76CYS      O 1163   3.877   3.113   5.109  0.0339 -0.0777  0.4424
+   77ASN      N 1164   4.032   3.134   5.270  0.1346  0.1086 -0.0236
+   77ASN      H 1165   4.098   3.199   5.310  0.8442  0.8029 -2.2548
+   77ASN     CA 1166   4.039   2.996   5.312 -0.7167 -0.1037 -0.5705
+   77ASN     HA 1167   4.128   2.993   5.375 -0.1923  1.6967 -1.2071
+   77ASN     CB 1168   3.922   2.963   5.405 -0.5734  0.0869 -0.3239
+   77ASN    HB1 1169   3.829   2.967   5.349 -1.1217  1.5182  0.6541
+   77ASN    HB2 1170   3.923   3.044   5.479 -1.8108 -0.2395  0.0621
+   77ASN     CG 1171   3.927   2.827   5.475 -0.1549  0.2458 -0.0399
+   77ASN    OD1 1172   3.842   2.740   5.459  0.3058 -0.1616 -0.2981
+   77ASN    ND2 1173   4.038   2.805   5.546  0.2552  0.2232 -0.6783
+   77ASN   HD21 1174   4.105   2.879   5.560  0.5039  0.1431 -1.4248
+   77ASN   HD22 1175   4.059   2.711   5.576 -1.2640 -0.8637 -2.8532
+   77ASN      C 1176   4.062   2.906   5.191  0.0541 -0.0581 -0.4594
+   77ASN      O 1177   3.998   2.802   5.178  0.1908 -0.1809 -0.1559
+   78ILE      N 1178   4.156   2.947   5.106  0.2382  0.0170 -0.2229
+   78ILE      H 1179   4.207   3.031   5.128  0.5006 -0.4281  0.8953
+   78ILE     CA 1180   4.199   2.881   4.984 -0.2400  0.0370 -0.4054
+   78ILE     HA 1181   4.165   2.778   4.996 -2.0182  0.5203 -1.2418
+   78ILE     CB 1182   4.124   2.934   4.862  0.0586  0.7405 -0.2805
+   78ILE     HB 1183   4.180   2.899   4.776 -0.1780  1.0569 -0.5644
+   78ILE    CG2 1184   3.987   2.869   4.852  0.1069  0.5946 -0.0143
+   78ILE   HG21 1185   3.946   2.879   4.751  0.4603  3.3011  0.0757
+   78ILE   HG22 1186   3.988   2.761   4.867 -3.3446  0.6155  0.8564
+   78ILE   HG23 1187   3.919   2.919   4.920  0.2738  1.6537 -0.6098
+   78ILE    CG1 1188   4.115   3.086   4.852 -0.7087  0.7114 -0.0451
+   78ILE   HG11 1189   4.215   3.125   4.872  0.4359 -1.7731 -0.7089
+   78ILE   HG12 1190   4.039   3.119   4.923 -2.1494 -0.9374 -0.7925
+   78ILE     CD 1191   4.080   3.125   4.708  0.0430  0.2438 -0.3546
+   78ILE    HD1 1192   4.097   3.229   4.684  0.1110  0.0371 -1.2099
+   78ILE    HD2 1193   4.151   3.076   4.641  0.5401 -0.0229  0.3546
+   78ILE    HD3 1194   3.980   3.088   4.684  0.1310 -0.9437  1.0035
+   78ILE      C 1195   4.351   2.879   4.975 -0.2127  0.3754 -0.0303
+   78ILE      O 1196   4.426   2.964   5.023 -0.1992  0.1746  0.3063
+   79PRO      N 1197   4.400   2.776   4.906 -0.5928  0.1886 -0.0187
+   79PRO     CD 1198   4.344   2.646   4.877 -0.5657  0.1220  0.2227
+   79PRO    HD1 1199   4.237   2.656   4.859 -0.4792  1.6740  0.5172
+   79PRO    HD2 1200   4.365   2.580   4.961  1.0734 -0.2113 -0.4267
+   79PRO     CG 1201   4.428   2.594   4.761 -0.1293  0.7823  0.2399
+   79PRO    HG1 1202   4.394   2.627   4.663 -0.5997 -1.0871 -0.2527
+   79PRO    HG2 1203   4.425   2.485   4.765 -1.9046  0.8295  0.5765
+   79PRO     CB 1204   4.566   2.640   4.805  0.2255  0.2011 -0.2441
+   79PRO    HB1 1205   4.645   2.635   4.730  0.4046 -1.2243  0.0322
+   79PRO    HB2 1206   4.590   2.580   4.892 -1.6979 -0.1851  0.0308
+   79PRO     CA 1207   4.533   2.783   4.849 -0.4507 -0.1160  0.2754
+   79PRO     HA 1208   4.603   2.822   4.923 -0.1163  0.3383 -0.2720
+   79PRO      C 1209   4.543   2.877   4.730  0.2670 -0.6722 -0.1125
+   79PRO      O 1210   4.443   2.889   4.659  0.8157  0.0056 -0.7739
+   80CYS      N 1211   4.653   2.950   4.711 -0.2194  0.0098 -0.3502
+   80CYS      H 1212   4.734   2.919   4.764  1.6636  1.7339 -2.1421
+   80CYS     CA 1213   4.658   3.044   4.602 -0.2063  0.2721 -0.1246
+   80CYS     HA 1214   4.565   3.100   4.614  0.7534  1.5189  1.6780
+   80CYS     CB 1215   4.787   3.125   4.608  0.1486 -0.3322  0.3646
+   80CYS    HB1 1216   4.777   3.192   4.523  0.3067 -0.1080  0.5226
+   80CYS    HB2 1217   4.876   3.065   4.591 -0.9559 -2.1238  0.7704
+   80CYS     SG 1218   4.817   3.234   4.750  0.2627  0.2795 -0.1279
+   80CYS      C 1219   4.656   2.971   4.468  0.1246  0.1761 -0.0779
+   80CYS      O 1220   4.610   3.034   4.372 -0.0277 -0.4857 -0.4391
+   81SER      N 1221   4.701   2.846   4.454 -0.5378 -0.0615 -0.0809
+   81SER      H 1222   4.759   2.802   4.523  1.5735  0.2585 -1.5929
+   81SER     CA 1223   4.687   2.762   4.337  0.0350  0.1227 -0.2798
+   81SER     HA 1224   4.748   2.797   4.253  1.8792 -1.7975  0.2084
+   81SER     CB 1225   4.753   2.627   4.365 -0.2261 -0.0051 -0.2784
+   81SER    HB1 1226   4.856   2.644   4.397 -0.2915  1.8406 -0.9667
+   81SER    HB2 1227   4.756   2.567   4.274 -1.3438 -0.2659 -0.1460
+   81SER     OG 1228   4.681   2.543   4.453  0.5294 -0.4505 -0.0777
+   81SER     HG 1229   4.738   2.475   4.489  2.3715  0.5035 -1.0913
+   81SER      C 1230   4.549   2.748   4.276 -0.2578  0.1667  0.3684
+   81SER      O 1231   4.550   2.747   4.153  0.3502 -0.1215  0.3766
+   82ALA      N 1232   4.440   2.751   4.353 -0.4509 -0.1331  0.1094
+   82ALA      H 1233   4.452   2.772   4.451 -1.7057 -0.7557  0.4125
+   82ALA     CA 1234   4.304   2.731   4.307 -0.4115  0.1064 -0.1061
+   82ALA     HA 1235   4.310   2.648   4.235  0.6611 -0.4428  0.6014
+   82ALA     CB 1236   4.220   2.707   4.432  0.8669 -0.4998  0.6520
+   82ALA    HB1 1237   4.271   2.625   4.482 -0.9291 -1.3698  1.0917
+   82ALA    HB2 1238   4.224   2.793   4.499  0.0171 -0.2719  0.4131
+   82ALA    HB3 1239   4.119   2.685   4.399  0.8109  0.4426  0.1614
+   82ALA      C 1240   4.258   2.847   4.220 -0.0561  0.3612  0.0484
+   82ALA      O 1241   4.157   2.832   4.152  0.0347  0.0738 -0.0213
+   83LEU      N 1242   4.324   2.962   4.239  0.3927  0.1847 -0.4197
+   83LEU      H 1243   4.409   2.959   4.294  0.3690 -0.5012 -0.4156
+   83LEU     CA 1244   4.299   3.088   4.172  0.0145  0.1873 -0.2737
+   83LEU     HA 1245   4.193   3.097   4.147  0.1272 -1.1063 -1.2917
+   83LEU     CB 1246   4.356   3.202   4.255  0.2662 -0.2278  0.1248
+   83LEU    HB1 1247   4.324   3.284   4.191  0.1316 -1.3073 -1.2185
+   83LEU    HB2 1248   4.465   3.206   4.248  0.1477  1.7249 -1.0242
+   83LEU     CG 1249   4.300   3.219   4.396 -0.1887 -0.0009 -0.0839
+   83LEU     HG 1250   4.305   3.126   4.453 -1.3236  1.1424  1.9369
+   83LEU    CD1 1251   4.395   3.314   4.468  0.2310 -0.3279 -0.2025
+   83LEU   HD11 1252   4.492   3.269   4.488  1.4953  1.7188 -1.4416
+   83LEU   HD12 1253   4.410   3.407   4.414 -0.2391 -0.6817 -0.9488
+   83LEU   HD13 1254   4.347   3.340   4.563  4.0375 -1.9788  2.2797
+   83LEU    CD2 1255   4.161   3.282   4.392  0.0081  0.4205 -0.3123
+   83LEU   HD21 1256   4.171   3.365   4.321  0.9242  0.3266 -0.2996
+   83LEU   HD22 1257   4.094   3.208   4.348  0.3364 -1.2725  1.9510
+   83LEU   HD23 1258   4.124   3.310   4.490  1.9576  0.8728  0.3237
+   83LEU      C 1259   4.361   3.094   4.034  0.3306  0.4126 -0.1209
+   83LEU      O 1260   4.324   3.179   3.953 -0.0188  0.7219  0.3676
+   84LEU      N 1261   4.451   3.001   4.000 -0.0721  0.1066 -0.3578
+   84LEU      H 1262   4.487   2.938   4.069  0.9177  1.4251  0.3617
+   84LEU     CA 1263   4.501   2.980   3.865  0.0017 -0.1220 -0.2927
+   84LEU     HA 1264   4.505   3.072   3.807 -0.8897 -0.4006 -0.7928
+   84LEU     CB 1265   4.645   2.929   3.880  0.1638  0.5119  0.3647
+   84LEU    HB1 1266   4.683   2.906   3.780 -0.4314  0.1311  0.2228
+   84LEU    HB2 1267   4.643   2.842   3.946 -0.2187 -0.5323 -1.0060
+   84LEU     CG 1268   4.753   3.012   3.949  0.2915  0.3773  0.3268
+   84LEU     HG 1269   4.721   3.020   4.053  0.8451  1.6363  0.4097
+   84LEU    CD1 1270   4.885   2.937   3.950  0.3768  0.5110 -0.3146
+   84LEU   HD11 1271   4.917   2.915   3.849 -0.5780 -3.1283  0.0973
+   84LEU   HD12 1272   4.966   2.999   3.989  1.9750 -1.7386  0.0743
+   84LEU   HD13 1273   4.872   2.837   3.993 -0.9339 -0.5241 -3.0444
+   84LEU    CD2 1274   4.773   3.147   3.882  0.1910  0.0740 -0.3177
+   84LEU   HD21 1275   4.685   3.209   3.901  2.2128  3.5438 -1.7708
+   84LEU   HD22 1276   4.855   3.194   3.935 -0.5139  1.0029 -0.0277
+   84LEU   HD23 1277   4.790   3.130   3.775 -2.7441 -2.7104 -0.4347
+   84LEU      C 1278   4.422   2.883   3.779  0.3464 -0.7990  0.1363
+   84LEU      O 1279   4.456   2.870   3.661 -0.0197 -0.2339 -0.0367
+   85SER      N 1280   4.309   2.831   3.829  0.0101  0.0598  0.2877
+   85SER      H 1281   4.281   2.868   3.918 -1.4775  1.9812 -0.9352
+   85SER     CA 1282   4.212   2.755   3.754 -0.2556  0.4279  0.2590
+   85SER     HA 1283   4.252   2.667   3.704  0.1665  0.2849  0.8564
+   85SER     CB 1284   4.106   2.699   3.848 -0.0885  0.1111  0.2582
+   85SER    HB1 1285   4.048   2.777   3.897  0.7407  0.6194  0.4406
+   85SER    HB2 1286   4.153   2.639   3.926 -0.7135  0.4202  0.8853
+   85SER     OG 1287   4.029   2.601   3.781 -0.4631  0.0399  0.7864
+   85SER     HG 1288   3.960   2.568   3.838 -0.7078  0.5172  0.7727
+   85SER      C 1289   4.136   2.828   3.643 -0.4103  0.1483  0.1798
+   85SER      O 1290   4.119   2.950   3.646 -0.0542  0.2010  0.1462
+   86SER      N 1291   4.101   2.755   3.537 -0.2513  0.1698  0.1128
+   86SER      H 1292   4.137   2.660   3.541 -0.0423  0.2456  0.0514
+   86SER     CA 1293   4.024   2.801   3.423  0.1789 -0.1813 -0.3211
+   86SER     HA 1294   4.058   2.898   3.388 -0.2225  0.5050  1.1543
+   86SER     CB 1295   4.024   2.701   3.308 -0.3189 -0.0514 -0.4322
+   86SER    HB1 1296   3.971   2.742   3.222 -1.0473 -1.0015 -0.4570
+   86SER    HB2 1297   3.972   2.609   3.337 -1.3816  0.5560 -0.3911
+   86SER     OG 1298   4.158   2.670   3.281  0.0313  0.6423  0.4835
+   86SER     HG 1299   4.196   2.606   3.342  0.3387  0.8343  0.4989
+   86SER      C 1300   3.879   2.835   3.456  0.0226 -0.5635 -0.6203
+   86SER      O 1301   3.823   2.907   3.374 -0.0863  0.2107  0.1418
+   87ASP      N 1302   3.826   2.792   3.570  0.1329  0.9002 -0.0107
+   87ASP      H 1303   3.878   2.730   3.630 -1.3574 -0.5831 -0.2088
+   87ASP     CA 1304   3.696   2.822   3.626  0.0238  0.2048  0.1223
+   87ASP     HA 1305   3.633   2.858   3.545  0.1978 -0.1613 -0.1760
+   87ASP     CB 1306   3.655   2.697   3.703 -0.3918  0.2039 -0.1007
+   87ASP    HB1 1307   3.731   2.660   3.771 -0.0948 -0.3450 -0.7311
+   87ASP    HB2 1308   3.642   2.634   3.615  1.7964  0.9553 -0.9769
+   87ASP     CG 1309   3.518   2.700   3.770 -0.2433 -0.1356  0.2219
+   87ASP    OD1 1310   3.456   2.809   3.774 -0.3236 -0.1316 -0.9126
+   87ASP    OD2 1311   3.468   2.596   3.818 -0.3658 -0.0762  0.2226
+   87ASP      C 1312   3.713   2.937   3.725 -0.0395  0.3320 -0.0133
+   87ASP      O 1313   3.792   2.938   3.819  0.4242 -0.5179 -0.3942
+   88ILE      N 1314   3.638   3.045   3.701 -0.3697  0.0797 -0.1118
+   88ILE      H 1315   3.578   3.049   3.620 -0.3123 -0.5879 -0.1949
+   88ILE     CA 1316   3.661   3.169   3.772  0.0724  0.0405 -0.1879
+   88ILE     HA 1317   3.769   3.181   3.781 -0.0215  0.2880  0.5812
+   88ILE     CB 1318   3.639   3.292   3.684  0.2654  0.2067 -0.0034
+   88ILE     HB 1319   3.661   3.381   3.743 -2.8795  0.4220  0.9387
+   88ILE    CG2 1320   3.716   3.294   3.553  0.1645  0.1968 -0.0627
+   88ILE   HG21 1321   3.689   3.212   3.487  2.2054 -0.0894 -0.5939
+   88ILE   HG22 1322   3.709   3.379   3.485  1.1810 -0.4255 -0.9698
+   88ILE   HG23 1323   3.823   3.293   3.574  0.5884  1.4182 -1.9937
+   88ILE    CG1 1324   3.488   3.309   3.666  0.2529 -0.2143 -0.2895
+   88ILE   HG11 1325   3.438   3.303   3.762 -0.7505 -0.8597 -0.8406
+   88ILE   HG12 1326   3.445   3.225   3.611 -0.7265  0.1075 -0.0100
+   88ILE     CD 1327   3.445   3.441   3.603 -1.0544 -0.2469  0.5348
+   88ILE    HD1 1328   3.336   3.437   3.604 -1.0374 -3.7470 -2.3802
+   88ILE    HD2 1329   3.486   3.527   3.656 -1.6760  0.5492 -0.2709
+   88ILE    HD3 1330   3.482   3.447   3.501 -0.0567 -1.8710  0.7920
+   88ILE      C 1331   3.600   3.163   3.911  0.0866 -0.0262 -0.1846
+   88ILE      O 1332   3.624   3.257   3.986  0.3123 -0.1835 -0.0588
+   89THR      N 1333   3.527   3.058   3.948 -0.0374  0.2913  0.4686
+   89THR      H 1334   3.514   2.984   3.881 -1.1771  1.2920 -0.4437
+   89THR     CA 1335   3.448   3.050   4.070 -0.4660 -0.1729  0.1644
+   89THR     HA 1336   3.364   3.119   4.057  1.4361  1.8780 -1.6694
+   89THR     CB 1337   3.398   2.907   4.087  0.4600 -0.5106  0.0798
+   89THR     HB 1338   3.477   2.832   4.095 -0.0540 -1.2055 -1.1703
+   89THR    CG2 1339   3.324   2.895   4.220  0.1586  0.2127 -0.0187
+   89THR   HG21 1340   3.255   2.809   4.218  0.2195  0.1848 -1.4508
+   89THR   HG22 1341   3.385   2.905   4.309  0.6641  0.9286 -0.4411
+   89THR   HG23 1342   3.257   2.981   4.221  0.2997  0.5940 -5.5450
+   89THR    OG1 1343   3.311   2.871   3.983  0.5417  0.2201 -0.2488
+   89THR    HG1 1344   3.363   2.855   3.904 -0.1165  0.8373 -0.8180
+   89THR      C 1345   3.520   3.105   4.192  0.0972 -0.2264 -0.1413
+   89THR      O 1346   3.487   3.212   4.243 -0.1233 -0.4348  0.1597
+   90ALA      N 1347   3.633   3.042   4.227  0.0669 -0.1988  0.0092
+   90ALA      H 1348   3.674   2.966   4.175  0.6059 -0.0084  0.1552
+   90ALA     CA 1349   3.710   3.070   4.347  0.0523  0.3554 -0.1104
+   90ALA     HA 1350   3.640   3.065   4.430 -0.6849  1.3563 -0.6612
+   90ALA     CB 1351   3.799   2.948   4.370 -0.0120  0.3624  0.1705
+   90ALA    HB1 1352   3.730   2.864   4.370 -1.7748  1.7464  1.2976
+   90ALA    HB2 1353   3.871   2.936   4.289 -1.3222 -2.1133 -0.6831
+   90ALA    HB3 1354   3.859   2.966   4.459  0.1451 -0.6059  0.2595
+   90ALA      C 1355   3.782   3.204   4.357  0.0899  0.3170  0.1390
+   90ALA      O 1356   3.806   3.247   4.469 -0.4448  0.1218  0.3319
+   91SER      N 1357   3.814   3.261   4.241  0.7552 -0.3728 -0.0222
+   91SER      H 1358   3.798   3.209   4.155 -1.3510  0.3891 -0.1360
+   91SER     CA 1359   3.856   3.400   4.232 -0.6252  0.0559 -0.0538
+   91SER     HA 1360   3.933   3.428   4.304 -0.3197 -0.0735 -0.3281
+   91SER     CB 1361   3.917   3.435   4.097  0.2696  0.1072  0.3614
+   91SER    HB1 1362   3.949   3.539   4.094 -0.6130  0.3940  0.7370
+   91SER    HB2 1363   3.848   3.416   4.015  0.6699 -1.2778  0.3252
+   91SER     OG 1364   4.037   3.363   4.073  0.0230 -0.1079 -0.2298
+   91SER     HG 1365   4.009   3.271   4.065  0.0665 -0.0078 -1.6971
+   91SER      C 1366   3.739   3.494   4.257 -0.6102  0.1593 -0.3709
+   91SER      O 1367   3.750   3.591   4.332 -0.4401  0.2677 -0.5348
+   92VAL      N 1368   3.624   3.466   4.195 -0.7564 -0.3628  0.1245
+   92VAL      H 1369   3.620   3.375   4.153 -1.2659 -0.3891  0.2253
+   92VAL     CA 1370   3.505   3.549   4.199 -0.1144  0.5826 -0.0590
+   92VAL     HA 1371   3.534   3.648   4.165 -1.6325  0.7401 -0.9495
+   92VAL     CB 1372   3.393   3.501   4.107  0.1048 -0.4590  0.2065
+   92VAL     HB 1373   3.368   3.397   4.126  2.0948 -0.8763  0.6471
+   92VAL    CG1 1374   3.271   3.587   4.138 -0.0478 -0.4180 -0.5076
+   92VAL   HG11 1375   3.295   3.693   4.138 -2.5252  0.2103  1.4435
+   92VAL   HG12 1376   3.203   3.581   4.053  1.4622  0.3198 -1.7859
+   92VAL   HG13 1377   3.221   3.561   4.231 -3.4201  3.1353 -1.1964
+   92VAL    CG2 1378   3.420   3.517   3.958  0.2580  0.0756  0.2895
+   92VAL   HG21 1379   3.434   3.622   3.934  1.1781 -0.6995 -2.8135
+   92VAL   HG22 1380   3.511   3.462   3.934 -1.2343 -2.4158  0.1330
+   92VAL   HG23 1381   3.331   3.485   3.904  0.3987 -1.1157  0.7511
+   92VAL      C 1382   3.464   3.556   4.346  1.0085  0.4986  0.2635
+   92VAL      O 1383   3.430   3.661   4.399  0.2740  0.5247 -0.2421
+   93ASN      N 1384   3.459   3.440   4.412  0.1381  0.0439 -0.5795
+   93ASN      H 1385   3.486   3.351   4.373 -2.5862 -1.3297  0.5923
+   93ASN     CA 1386   3.412   3.432   4.549  0.2751  0.3224 -0.5149
+   93ASN     HA 1387   3.313   3.474   4.562  0.2993 -0.0735  1.0020
+   93ASN     CB 1388   3.405   3.283   4.583 -0.1458  0.5911  0.5805
+   93ASN    HB1 1389   3.397   3.273   4.691  0.3379 -0.5968  0.5092
+   93ASN    HB2 1390   3.491   3.222   4.556 -1.5481 -0.9694 -0.4748
+   93ASN     CG 1391   3.297   3.193   4.523  0.5980  0.5624 -0.7355
+   93ASN    OD1 1392   3.319   3.074   4.505  0.0965  0.3767 -0.1255
+   93ASN    ND2 1393   3.176   3.242   4.498  0.0462 -0.2641  0.2960
+   93ASN   HD21 1394   3.151   3.337   4.523 -0.2347 -0.0689 -0.7226
+   93ASN   HD22 1395   3.104   3.182   4.459 -1.7102 -0.5164  3.7101
+   93ASN      C 1396   3.502   3.506   4.646 -0.1078 -0.1021  0.1646
+   93ASN      O 1397   3.453   3.580   4.732 -0.0277 -0.6138  0.6482
+   94CYS      N 1398   3.634   3.501   4.630 -0.0293  0.9855  0.3707
+   94CYS      H 1399   3.670   3.438   4.559 -2.9294 -1.8831  1.3351
+   94CYS     CA 1400   3.735   3.576   4.701  0.5443  0.7028 -0.1333
+   94CYS     HA 1401   3.727   3.563   4.809  2.6866  2.1946  0.2363
+   94CYS     CB 1402   3.873   3.516   4.677  0.0611 -0.7073  0.5545
+   94CYS    HB1 1403   3.913   3.543   4.579  1.6038  0.2540  1.4294
+   94CYS    HB2 1404   3.874   3.408   4.691 -1.3049 -0.5890  1.6326
+   94CYS     SG 1405   3.993   3.587   4.793  0.3646 -0.3658  0.0348
+   94CYS      C 1406   3.737   3.726   4.673  0.5297  0.7327  0.0243
+   94CYS      O 1407   3.734   3.809   4.763 -0.5417  0.9478 -0.2005
+   95ALA      N 1408   3.723   3.766   4.546  0.0705 -0.2882 -0.2535
+   95ALA      H 1409   3.721   3.712   4.461 -1.7676  0.7901 -0.9391
+   95ALA     CA 1410   3.702   3.904   4.506 -0.0383 -0.0696  0.5529
+   95ALA     HA 1411   3.777   3.965   4.556  0.9438  0.1207 -1.1104
+   95ALA     CB 1412   3.709   3.910   4.354  0.9339  0.6082  0.6216
+   95ALA    HB1 1413   3.811   3.894   4.318  1.0460 -0.4956  1.4021
+   95ALA    HB2 1414   3.640   3.837   4.311  3.9835 -1.3959 -1.1089
+   95ALA    HB3 1415   3.682   4.010   4.319 -0.6481 -0.4216 -1.2030
+   95ALA      C 1416   3.577   3.964   4.568  0.0349  0.2330  0.4063
+   95ALA      O 1417   3.582   4.082   4.604  0.3209  0.1119  0.7683
+   96LYS      N 1418   3.467   3.892   4.591 -0.2488  0.6983  0.5144
+   96LYS      H 1419   3.464   3.799   4.553 -1.6177  1.0032 -0.1852
+   96LYS     CA 1420   3.350   3.937   4.665 -0.6151 -0.2271  0.5030
+   96LYS     HA 1421   3.326   4.039   4.633 -1.3796 -0.7584 -0.6527
+   96LYS     CB 1422   3.227   3.847   4.659 -0.1076 -0.9267  0.5006
+   96LYS    HB1 1423   3.153   3.894   4.725 -0.0263 -0.0901  0.0072
+   96LYS    HB2 1424   3.251   3.744   4.685 -0.7304 -1.2596 -0.2264
+   96LYS     CG 1425   3.169   3.838   4.518  0.2563  1.1363  0.1996
+   96LYS    HG1 1426   3.238   3.791   4.448 -1.8975  0.5763 -1.6059
+   96LYS    HG2 1427   3.152   3.942   4.491  1.0944  1.6841  1.6975
+   96LYS     CD 1428   3.036   3.764   4.519  0.7236  0.2845  0.2568
+   96LYS    HD1 1429   2.965   3.806   4.590 -0.6255 -1.8881  0.2454
+   96LYS    HD2 1430   3.055   3.660   4.546 -0.9245 -0.0241  0.2932
+   96LYS     CE 1431   2.967   3.768   4.382  0.2633 -0.0688  0.4751
+   96LYS    HE1 1432   3.041   3.768   4.302 -0.5779  0.5700 -0.3160
+   96LYS    HE2 1433   2.918   3.865   4.378 -1.7339 -1.0469  0.8607
+   96LYS     NZ 1434   2.861   3.670   4.353  0.6217 -0.2326 -0.2778
+   96LYS    HZ1 1435   2.884   3.574   4.375 -1.1569 -0.2398  1.6396
+   96LYS    HZ2 1436   2.778   3.689   4.406 -0.2080 -0.4058 -1.5105
+   96LYS    HZ3 1437   2.834   3.665   4.256  1.2728 -0.8083 -0.4390
+   96LYS      C 1438   3.378   3.970   4.811  1.0015  0.1683  0.1184
+   96LYS      O 1439   3.295   4.040   4.867  0.3905 -0.3954 -0.0683
+   97LYS      N 1440   3.484   3.917   4.871  0.4685 -0.4238  0.5414
+   97LYS      H 1441   3.557   3.885   4.809 -0.1395 -2.3503  0.7820
+   97LYS     CA 1442   3.529   3.941   5.007  0.0133  0.2418  0.5765
+   97LYS     HA 1443   3.442   3.965   5.067  0.7851  3.2825  0.5618
+   97LYS     CB 1444   3.608   3.821   5.060 -0.0348  0.0238  0.1592
+   97LYS    HB1 1445   3.645   3.849   5.159  2.0004 -1.8960 -0.0325
+   97LYS    HB2 1446   3.691   3.789   4.999  2.5115  4.4032  1.0876
+   97LYS     CG 1447   3.519   3.700   5.087  0.2122 -0.0908  0.4610
+   97LYS    HG1 1448   3.586   3.613   5.082  0.2924 -0.0683  1.1565
+   97LYS    HG2 1449   3.458   3.671   5.001  0.1709 -1.6014  0.9739
+   97LYS     CD 1450   3.432   3.708   5.212  0.7252  0.0297  0.8106
+   97LYS    HD1 1451   3.367   3.795   5.201  0.7101 -0.0786  0.0229
+   97LYS    HD2 1452   3.498   3.722   5.298  0.7589 -1.8784  1.1077
+   97LYS     CE 1453   3.345   3.585   5.234 -0.0721  0.4951  0.2543
+   97LYS    HE1 1454   3.409   3.502   5.207  1.0356  1.8625 -1.4663
+   97LYS    HE2 1455   3.260   3.588   5.165  0.3699 -0.7942 -0.3609
+   97LYS     NZ 1456   3.305   3.563   5.374 -0.6524  0.0902  0.0281
+   97LYS    HZ1 1457   3.264   3.472   5.386  0.3966 -0.3911  0.0594
+   97LYS    HZ2 1458   3.384   3.564   5.436  1.0640 -2.1582 -2.0177
+   97LYS    HZ3 1459   3.239   3.634   5.400 -0.8983 -0.7179  1.6316
+   97LYS      C 1460   3.608   4.071   5.007  0.2110  0.1232  0.0459
+   97LYS      O 1461   3.587   4.151   5.098 -0.1362  0.3764 -0.2551
+   98ILE      N 1462   3.700   4.092   4.912  0.5244 -0.1199  0.2930
+   98ILE      H 1463   3.736   4.010   4.865  2.0141  1.7754 -1.9938
+   98ILE     CA 1464   3.798   4.198   4.898 -0.2528  0.4954 -0.5728
+   98ILE     HA 1465   3.849   4.210   4.993  1.8900  0.6279 -1.7012
+   98ILE     CB 1466   3.901   4.152   4.795  0.1457 -0.0636  0.0692
+   98ILE     HB 1467   3.846   4.125   4.704 -0.3774  0.1680  0.3148
+   98ILE    CG2 1468   3.996   4.264   4.751  0.0665 -0.0811 -0.1456
+   98ILE   HG21 1469   4.052   4.289   4.840 -1.1104 -0.0412  0.5991
+   98ILE   HG22 1470   4.056   4.229   4.667  1.5461 -0.8403  1.2131
+   98ILE   HG23 1471   3.940   4.350   4.715  1.2837  0.2947 -1.1761
+   98ILE    CG1 1472   3.985   4.031   4.834 -0.0488 -0.1675  0.1657
+   98ILE   HG11 1473   3.918   3.955   4.873 -0.3898 -0.1851 -0.4352
+   98ILE   HG12 1474   4.045   4.069   4.916 -2.6830 -1.0056  2.5622
+   98ILE     CD 1475   4.079   3.977   4.726 -0.0547 -0.3462  0.2501
+   98ILE    HD1 1476   4.091   3.871   4.750 -1.0967 -0.6999 -0.7434
+   98ILE    HD2 1477   4.034   3.983   4.627 -0.2419  0.4278  0.3751
+   98ILE    HD3 1478   4.181   4.014   4.735  0.4824 -1.7464  0.0226
+   98ILE      C 1479   3.737   4.334   4.868 -0.3541  0.6680  0.4044
+   98ILE      O 1480   3.776   4.433   4.929  0.5002  0.2978  0.4666
+   99VAL      N 1481   3.633   4.335   4.784  0.1096  0.5511 -0.1764
+   99VAL      H 1482   3.602   4.251   4.738  1.9324 -0.7858  1.0098
+   99VAL     CA 1483   3.551   4.451   4.754  0.4836  0.8034 -0.2238
+   99VAL     HA 1484   3.621   4.533   4.738  1.0144  0.6389  1.1993
+   99VAL     CB 1485   3.488   4.424   4.617  0.3256  0.0835 -0.0081
+   99VAL     HB 1486   3.553   4.369   4.549 -0.7257 -1.0404 -0.1279
+   99VAL    CG1 1487   3.365   4.337   4.643  0.1001  0.2307 -0.5950
+   99VAL   HG11 1488   3.334   4.306   4.543  0.4591  1.0547 -0.9699
+   99VAL   HG12 1489   3.395   4.250   4.701  2.1183 -0.4969 -2.6446
+   99VAL   HG13 1490   3.291   4.402   4.690  0.4296  0.0599  0.1534
+   99VAL    CG2 1491   3.452   4.555   4.549 -0.0584 -0.0147  0.0008
+   99VAL   HG21 1492   3.415   4.544   4.447 -0.2399  1.6162 -0.1306
+   99VAL   HG22 1493   3.375   4.619   4.593 -0.4514 -0.5279  0.0589
+   99VAL   HG23 1494   3.545   4.612   4.551  0.9553 -1.6555  1.6051
+   99VAL      C 1495   3.458   4.488   4.868  0.4222 -0.1224  0.0292
+   99VAL      O 1496   3.408   4.600   4.863  0.7036 -0.0138 -0.3748
+  100SER      N 1497   3.435   4.401   4.967  0.1700  0.0747  0.1441
+  100SER      H 1498   3.482   4.312   4.965 -0.2145 -0.1154 -2.0247
+  100SER     CA 1499   3.346   4.423   5.079  0.0989  0.5445 -0.0015
+  100SER     HA 1500   3.283   4.508   5.056  0.2392  0.4195 -0.8590
+  100SER     CB 1501   3.267   4.294   5.103 -0.1894  0.6893 -0.1769
+  100SER    HB1 1502   3.203   4.315   5.189  0.6067  1.3198  0.2791
+  100SER    HB2 1503   3.333   4.216   5.140  1.9077  1.8424 -1.3826
+  100SER     OG 1504   3.190   4.252   4.993  0.4957  0.2682 -0.4975
+  100SER     HG 1505   3.235   4.183   4.945  2.0327  0.2388  0.9385
+  100SER      C 1506   3.416   4.469   5.206  0.4629 -0.3186  0.1174
+  100SER      O 1507   3.351   4.475   5.311  0.3302  0.3795  0.0017
+  101ASP      N 1508   3.547   4.492   5.204  0.4449 -0.2094  0.1612
+  101ASP      H 1509   3.582   4.530   5.117  2.3890 -2.5547 -0.1216
+  101ASP     CA 1510   3.638   4.507   5.316  0.3241 -0.0595  0.2396
+  101ASP     HA 1511   3.597   4.451   5.400 -2.4832  1.7148  0.1258
+  101ASP     CB 1512   3.769   4.442   5.273  0.1395 -0.4229  0.2269
+  101ASP    HB1 1513   3.833   4.518   5.228  0.1416 -0.1838  0.6344
+  101ASP    HB2 1514   3.761   4.373   5.189 -0.0213 -2.8195  2.1478
+  101ASP     CG 1515   3.847   4.384   5.390  0.0635 -0.1118  0.4314
+  101ASP    OD1 1516   3.797   4.295   5.462 -0.3038  0.5161  0.9603
+  101ASP    OD2 1517   3.965   4.423   5.407 -0.0662  0.4498  0.0522
+  101ASP      C 1518   3.661   4.652   5.357 -0.0919  0.1829 -0.3679
+  101ASP      O 1519   3.717   4.673   5.465 -0.6148  0.0214 -0.0658
+  102GLY      N 1520   3.616   4.752   5.282  0.0784  0.2819 -0.3405
+  102GLY      H 1521   3.583   4.725   5.190  0.5855 -1.0759 -0.1327
+  102GLY     CA 1522   3.618   4.890   5.325  0.5389  0.2191 -0.1606
+  102GLY    HA1 1523   3.704   4.900   5.391  0.7317  0.2765 -0.4212
+  102GLY    HA2 1524   3.525   4.913   5.378  0.8320 -0.7308  0.7947
+  102GLY      C 1525   3.637   4.987   5.209 -0.5001 -0.2443 -0.7266
+  102GLY      O 1526   3.567   5.088   5.203  0.6033  0.5670 -0.0968
+  103ASN      N 1527   3.727   4.948   5.118  0.5071 -0.0045  0.1541
+  103ASN      H 1528   3.767   4.856   5.132 -1.9902 -0.9029  1.7732
+  103ASN     CA 1529   3.778   5.037   5.016 -0.7925  0.1872 -0.3337
+  103ASN     HA 1530   3.730   5.134   5.032 -1.0220  0.0173  0.0074
+  103ASN     CB 1531   3.929   5.053   5.020 -0.8023  0.1092  0.3457
+  103ASN    HB1 1532   3.949   5.122   4.938 -2.9067  0.4198  0.0691
+  103ASN    HB2 1533   3.987   4.963   4.997  1.2471  1.7673 -1.2499
+  103ASN     CG 1534   3.974   5.114   5.152  0.4883  0.2866 -0.1663
+  103ASN    OD1 1535   4.057   5.063   5.228 -0.0554 -0.5620 -0.1428
+  103ASN    ND2 1536   3.919   5.228   5.196  0.5698  0.3091 -0.1203
+  103ASN   HD21 1537   3.846   5.283   5.152 -0.0276 -0.9035 -0.6671
+  103ASN   HD22 1538   3.967   5.263   5.277  0.5396  0.4628 -0.1687
+  103ASN      C 1539   3.732   5.007   4.874 -0.3143  0.1958 -0.4902
+  103ASN      O 1540   3.778   5.067   4.777  0.0439 -0.5770 -0.8009
+  104GLY      N 1541   3.642   4.910   4.857 -0.5868  0.3046  0.3125
+  104GLY      H 1542   3.601   4.879   4.944  1.9504  2.0616  2.2209
+  104GLY     CA 1543   3.581   4.874   4.730 -0.1152 -0.2196  0.2308
+  104GLY    HA1 1544   3.533   4.966   4.695  1.8955  1.3443  1.4926
+  104GLY    HA2 1545   3.502   4.799   4.738 -1.2961  0.9628  0.0292
+  104GLY      C 1546   3.686   4.829   4.631 -0.5482 -0.4752 -0.1159
+  104GLY      O 1547   3.792   4.777   4.665 -0.0611  0.5956  0.0310
+  105MET      N 1548   3.664   4.851   4.501 -0.2384 -0.9793 -0.2569
+  105MET      H 1549   3.571   4.878   4.474 -0.1498 -0.2195  0.1996
+  105MET     CA 1550   3.759   4.831   4.393  0.1365 -0.4341 -0.0282
+  105MET     HA 1551   3.800   4.732   4.410  0.0687 -0.3764  0.4988
+  105MET     CB 1552   3.696   4.829   4.254  0.4307 -0.3317 -0.1625
+  105MET    HB1 1553   3.772   4.801   4.181 -1.1180 -0.5278 -1.7181
+  105MET    HB2 1554   3.653   4.927   4.233 -1.4293 -1.1262 -0.0823
+  105MET     CG 1555   3.582   4.731   4.231 -0.2845  0.4908 -0.1689
+  105MET    HG1 1556   3.495   4.766   4.287 -2.3242 -1.7045 -1.8513
+  105MET    HG2 1557   3.605   4.639   4.287  0.2517 -0.6448 -2.2042
+  105MET     SD 1558   3.520   4.679   4.070  0.0150 -0.2731 -0.0450
+  105MET     CE 1559   3.665   4.588   4.012  0.1788  0.0481 -0.1448
+  105MET    HE1 1560   3.673   4.504   4.081  1.1098  0.9651  0.8624
+  105MET    HE2 1561   3.641   4.561   3.909 -0.0745  2.4087 -0.7211
+  105MET    HE3 1562   3.755   4.648   4.015  1.3471 -1.7103  1.1595
+  105MET      C 1563   3.895   4.900   4.398 -0.3171  0.4765 -0.1603
+  105MET      O 1564   3.993   4.857   4.338  0.4438  0.8539  0.8207
+  106ASN      N 1565   3.911   5.002   4.482  0.1274  0.8721 -0.7217
+  106ASN      H 1566   3.830   5.032   4.534  0.8442  1.6785 -0.0539
+  106ASN     CA 1567   4.039   5.062   4.514  0.1544  0.2475  0.3568
+  106ASN     HA 1568   4.079   5.100   4.420 -0.7469 -0.5040 -0.3360
+  106ASN     CB 1569   4.038   5.189   4.599 -0.1296  0.1106  0.5590
+  106ASN    HB1 1570   4.136   5.235   4.612  0.0590 -0.9081  3.1883
+  106ASN    HB2 1571   4.012   5.162   4.701  0.3809  2.2719  1.2803
+  106ASN     CG 1572   3.945   5.296   4.546  0.2903  0.3581  0.3150
+  106ASN    OD1 1573   3.992   5.386   4.477  0.3307  0.1530  0.0797
+  106ASN    ND2 1574   3.816   5.283   4.580  0.0280  0.2928 -0.7057
+  106ASN   HD21 1575   3.790   5.217   4.651  2.2943  1.4691  1.2937
+  106ASN   HD22 1576   3.750   5.354   4.550 -0.6759  0.4026  1.0737
+  106ASN      C 1577   4.152   4.971   4.560 -0.2898 -0.4863  0.0061
+  106ASN      O 1578   4.269   5.008   4.566 -0.4496 -0.0700  0.5951
+  107ALA      N 1579   4.111   4.859   4.621 -0.3271 -0.3148  0.2975
+  107ALA      H 1580   4.012   4.851   4.635 -0.8696  4.8438  0.3747
+  107ALA     CA 1581   4.205   4.755   4.655  0.1859  0.1012  0.1672
+  107ALA     HA 1582   4.270   4.797   4.731  0.8616  0.7038 -0.7373
+  107ALA     CB 1583   4.115   4.647   4.715 -0.3712 -0.0300 -0.8854
+  107ALA    HB1 1584   4.175   4.560   4.743  0.9234  0.6303 -1.5687
+  107ALA    HB2 1585   4.058   4.686   4.799  1.7857  0.4751  0.4085
+  107ALA    HB3 1586   4.057   4.608   4.632  0.0874  2.3413 -2.3588
+  107ALA      C 1587   4.276   4.686   4.540 -0.1148  0.1365 -0.0397
+  107ALA      O 1588   4.371   4.614   4.573 -0.0055  0.1193 -0.3839
+  108TRP      N 1589   4.236   4.713   4.415 -0.7648 -0.3484  0.0637
+  108TRP      H 1590   4.170   4.788   4.404 -1.5749 -1.0283  0.1762
+  108TRP     CA 1591   4.315   4.677   4.300 -0.3609  0.0507  0.2188
+  108TRP     HA 1592   4.392   4.604   4.323 -0.2096 -0.6888 -2.4370
+  108TRP     CB 1593   4.225   4.603   4.202 -0.4193  0.2403  0.1296
+  108TRP    HB1 1594   4.267   4.599   4.101  0.4703  0.0639  0.4993
+  108TRP    HB2 1595   4.130   4.655   4.200  0.6141  2.1469 -3.0308
+  108TRP     CG 1596   4.190   4.461   4.236  0.1549  0.0335 -0.1232
+  108TRP    CD1 1597   4.263   4.352   4.208  0.3977  0.0162  0.5723
+  108TRP    HD1 1598   4.359   4.345   4.157  1.4773 -1.5126  2.7049
+  108TRP    NE1 1599   4.199   4.241   4.259 -0.0568  0.2811  0.5717
+  108TRP    HE1 1600   4.238   4.150   4.241  0.8762  0.9544 -0.8609
+  108TRP    CE2 1601   4.079   4.272   4.322 -0.1256  0.2800  0.4420
+  108TRP    CZ2 1602   3.976   4.200   4.382 -0.3541  0.1756 -0.0689
+  108TRP    HZ2 1603   3.979   4.093   4.396 -1.3194  0.2317  0.6708
+  108TRP    CH2 1604   3.866   4.269   4.437 -0.2578  0.1420  0.1680
+  108TRP    HH2 1605   3.789   4.215   4.489  0.1479 -1.9030 -1.2788
+  108TRP    CZ3 1606   3.856   4.408   4.422 -0.1844  0.1399  0.0847
+  108TRP    HZ3 1607   3.784   4.459   4.485  1.2786  1.1718  0.9439
+  108TRP    CE3 1608   3.961   4.479   4.362 -0.3017 -0.1162 -0.4241
+  108TRP    HE3 1609   3.963   4.586   4.352 -0.5085 -0.0354  0.3467
+  108TRP    CD2 1610   4.070   4.412   4.303  0.1064  0.2293 -0.0643
+  108TRP      C 1611   4.378   4.805   4.245 -0.2416  0.1037  0.4726
+  108TRP      O 1612   4.310   4.899   4.203 -0.7908 -0.2265  0.6241
+  109VAL      N 1613   4.511   4.811   4.242 -0.2535  0.1968 -0.0237
+  109VAL      H 1614   4.560   4.730   4.278  0.5799  1.0435  0.7792
+  109VAL     CA 1615   4.580   4.931   4.198  0.2295  0.2035  0.7404
+  109VAL     HA 1616   4.525   5.009   4.251 -0.0730 -0.1636  0.9743
+  109VAL     CB 1617   4.728   4.930   4.234  0.3370  0.0268  0.2932
+  109VAL     HB 1618   4.731   4.919   4.342 -0.7722 -0.2718  0.2981
+  109VAL    CG1 1619   4.796   4.801   4.188 -0.5556 -0.3710  0.0846
+  109VAL   HG11 1620   4.899   4.799   4.225  0.3177  0.9370 -2.1691
+  109VAL   HG12 1621   4.740   4.714   4.222  0.4908 -1.2327 -0.3764
+  109VAL   HG13 1622   4.802   4.800   4.079 -3.0383  0.8883 -0.1179
+  109VAL    CG2 1623   4.817   5.046   4.189 -0.7339  0.7062 -0.0779
+  109VAL   HG21 1624   4.909   5.046   4.246  0.0833 -1.2444 -1.3623
+  109VAL   HG22 1625   4.827   5.039   4.080 -1.9612  1.3146 -0.2464
+  109VAL   HG23 1626   4.768   5.140   4.215  0.4144  1.1433  0.5442
+  109VAL      C 1627   4.553   4.966   4.052 -0.4677 -0.4836  0.7024
+  109VAL      O 1628   4.545   5.082   4.012  0.5896 -0.5537  0.2871
+  110ALA      N 1629   4.534   4.866   3.966  0.2157 -0.0539  0.0548
+  110ALA      H 1630   4.541   4.774   4.006 -0.1463 -0.7590 -1.4612
+  110ALA     CA 1631   4.518   4.888   3.823 -0.3603  0.1136  0.1435
+  110ALA     HA 1632   4.592   4.960   3.787  0.7181 -2.0475 -2.0793
+  110ALA     CB 1633   4.533   4.756   3.748 -0.1340  0.3505 -0.2300
+  110ALA    HB1 1634   4.603   4.700   3.810 -0.2032 -0.4175 -0.8408
+  110ALA    HB2 1635   4.435   4.711   3.733 -0.8460  1.3726  1.2039
+  110ALA    HB3 1636   4.571   4.769   3.647 -1.4758  0.3244 -0.7502
+  110ALA      C 1637   4.379   4.945   3.799 -0.3793 -0.0763 -0.1935
+  110ALA      O 1638   4.358   5.043   3.728 -0.5154  0.5176  0.6628
+  111TRP      N 1639   4.282   4.894   3.876  0.0706 -0.4977  0.0968
+  111TRP      H 1640   4.297   4.812   3.933 -0.5588 -2.0723 -1.9460
+  111TRP     CA 1641   4.148   4.949   3.879  0.4796  0.4894  0.3069
+  111TRP     HA 1642   4.106   4.949   3.779  1.2470  2.9418 -0.0547
+  111TRP     CB 1643   4.046   4.867   3.958  0.2782  0.0257 -0.4325
+  111TRP    HB1 1644   4.086   4.845   4.057  2.3546  1.3158 -0.9385
+  111TRP    HB2 1645   4.034   4.774   3.903 -1.1608  0.0359 -0.1559
+  111TRP     CG 1646   3.908   4.923   3.957  0.1060 -0.3939  0.0532
+  111TRP    CD1 1647   3.818   4.896   3.859 -0.0822 -0.7368  0.3201
+  111TRP    HD1 1648   3.834   4.833   3.773  3.4730  1.5592 -0.8009
+  111TRP    NE1 1649   3.704   4.972   3.878  0.5523  0.3870 -0.3423
+  111TRP    HE1 1650   3.624   4.977   3.817 -0.0664  1.4631  0.5371
+  111TRP    CE2 1651   3.712   5.053   3.990  0.3119 -0.0233 -0.0231
+  111TRP    CZ2 1652   3.629   5.155   4.038 -0.3579 -0.6028  0.0457
+  111TRP    HZ2 1653   3.538   5.181   3.985 -1.1078  0.1256  1.6531
+  111TRP    CH2 1654   3.673   5.216   4.156  0.1092 -0.6271 -0.1156
+  111TRP    HH2 1655   3.611   5.290   4.204 -1.7638  0.0332 -3.3743
+  111TRP    CZ3 1656   3.799   5.193   4.212  0.1856  0.1572  0.0445
+  111TRP    HZ3 1657   3.833   5.250   4.297 -1.0939  0.2512  0.5076
+  111TRP    CE3 1658   3.882   5.098   4.151 -0.0859 -0.1550  0.1581
+  111TRP    HE3 1659   3.979   5.084   4.198  1.0478  2.6277 -1.2006
+  111TRP    CD2 1660   3.841   5.022   4.040  0.6411  0.4749 -0.5510
+  111TRP      C 1661   4.150   5.094   3.927 -0.4140  0.4587  0.4427
+  111TRP      O 1662   4.092   5.179   3.860 -0.2075  0.5321  0.3584
+  112ARG      N 1663   4.218   5.126   4.037 -0.0229  0.4546  0.2021
+  112ARG      H 1664   4.257   5.048   4.089 -0.3251 -0.6924 -1.2611
+  112ARG     CA 1665   4.229   5.263   4.081  0.6352  0.3533  0.3668
+  112ARG     HA 1666   4.124   5.294   4.085  0.4478  0.2003 -2.4121
+  112ARG     CB 1667   4.297   5.256   4.218  0.4492 -0.1433  0.4346
+  112ARG    HB1 1668   4.394   5.213   4.193  0.6839  0.4580  0.2918
+  112ARG    HB2 1669   4.246   5.189   4.287 -0.6490  0.4827  0.2417
+  112ARG     CG 1670   4.329   5.391   4.281 -0.1880  0.0542  0.3375
+  112ARG    HG1 1671   4.256   5.464   4.245 -0.5714  1.4471  3.6586
+  112ARG    HG2 1672   4.425   5.429   4.248 -1.0883  2.1815  0.0874
+  112ARG     CD 1673   4.327   5.385   4.434  0.9477  1.1855  0.4107
+  112ARG    HD1 1674   4.222   5.367   4.460  0.8808  0.5604 -0.2648
+  112ARG    HD2 1675   4.350   5.485   4.469 -0.8878  2.1554 -1.0201
+  112ARG     NE 1676   4.398   5.271   4.492  0.4824  0.4988 -0.3549
+  112ARG     HE 1677   4.348   5.183   4.487 -0.9334  1.3988 -2.7853
+  112ARG     CZ 1678   4.531   5.256   4.498  0.3497 -0.5066  0.1718
+  112ARG    NH1 1679   4.608   5.352   4.445 -0.0874 -0.1760  0.1297
+  112ARG   HH11 1680   4.573   5.443   4.421  2.7135  0.5188 -1.5149
+  112ARG   HH12 1681   4.708   5.341   4.439 -0.2186 -0.3322 -2.1956
+  112ARG    NH2 1682   4.592   5.141   4.529  0.6858 -0.4499 -0.2707
+  112ARG   HH21 1683   4.538   5.062   4.562  0.2469 -0.6649 -1.5059
+  112ARG   HH22 1684   4.691   5.145   4.551  0.6993 -1.4669 -0.1143
+  112ARG      C 1685   4.293   5.362   3.984  0.0244  0.2209 -0.1746
+  112ARG      O 1686   4.252   5.478   3.989 -0.3198  0.1041 -0.3054
+  113ASN      N 1687   4.394   5.322   3.907  0.2181 -0.0576  0.2221
+  113ASN      H 1688   4.436   5.234   3.934  1.2314  0.6490  0.9597
+  113ASN     CA 1689   4.473   5.405   3.818 -0.3086  0.2319  0.0258
+  113ASN     HA 1690   4.472   5.509   3.850  0.1039  0.1901  0.1724
+  113ASN     CB 1691   4.619   5.368   3.842 -0.3084  0.4074  0.3012
+  113ASN    HB1 1692   4.687   5.415   3.771  3.0973 -3.8651  0.5947
+  113ASN    HB2 1693   4.626   5.260   3.828  0.7984  0.2836  1.7085
+  113ASN     CG 1694   4.664   5.408   3.981  0.0386  0.2027  0.2464
+  113ASN    OD1 1695   4.601   5.485   4.053  0.1904  0.0093  0.5917
+  113ASN    ND2 1696   4.773   5.348   4.032  0.4266  0.3283 -0.4331
+  113ASN   HD21 1697   4.828   5.271   3.995  2.3691  0.3535  2.2672
+  113ASN   HD22 1698   4.800   5.382   4.123 -1.5017 -0.3238  0.4135
+  113ASN      C 1699   4.431   5.400   3.672 -0.4433  0.0800  0.0689
+  113ASN      O 1700   4.462   5.489   3.593 -0.2547  0.1297  0.2010
+  114ARG      N 1701   4.360   5.296   3.629 -0.2805  0.0355 -0.0966
+  114ARG      H 1702   4.348   5.221   3.697 -1.2205  0.8402  0.6569
+  114ARG     CA 1703   4.322   5.270   3.492  0.0656 -0.1620 -0.1553
+  114ARG     HA 1704   4.364   5.356   3.440 -0.9503 -0.5087 -1.5890
+  114ARG     CB 1705   4.399   5.157   3.423 -0.0839 -0.1442 -0.3526
+  114ARG    HB1 1706   4.381   5.170   3.316  1.7811 -0.5266 -0.7131
+  114ARG    HB2 1707   4.373   5.056   3.454  0.0652 -1.4163 -4.2217
+  114ARG     CG 1708   4.548   5.176   3.447 -0.1478  0.1588 -0.1822
+  114ARG    HG1 1709   4.574   5.167   3.553  0.6662 -2.6732 -0.5680
+  114ARG    HG2 1710   4.570   5.271   3.399 -2.6984  1.1160  0.4909
+  114ARG     CD 1711   4.643   5.070   3.392 -0.4037 -0.0897 -0.1518
+  114ARG    HD1 1712   4.637   4.983   3.457 -0.9320 -0.6734 -0.9674
+  114ARG    HD2 1713   4.746   5.108   3.394 -0.3792 -0.1871  5.0763
+  114ARG     NE 1714   4.621   5.050   3.248  0.0688 -0.3394 -0.1908
+  114ARG     HE 1715   4.547   5.104   3.206 -0.5924 -0.7900  0.4009
+  114ARG     CZ 1716   4.708   4.994   3.163  0.3638 -0.4309  0.1661
+  114ARG    NH1 1717   4.818   4.935   3.210  0.4439  0.1713  0.7307
+  114ARG   HH11 1718   4.834   4.937   3.310  0.5150 -0.0658  0.7237
+  114ARG   HH12 1719   4.889   4.894   3.151  0.2760  1.1338 -0.1580
+  114ARG    NH2 1720   4.685   4.982   3.031  0.4419  0.7036  0.0422
+  114ARG   HH21 1721   4.619   5.051   2.999 -1.0454  0.8637  3.2509
+  114ARG   HH22 1722   4.735   4.913   2.977 -0.6322  0.0157 -0.0909
+  114ARG      C 1723   4.173   5.255   3.462  0.0206 -0.5358  0.2659
+  114ARG      O 1724   4.140   5.279   3.347  0.1353 -0.2672  0.2884
+  115CYS      N 1725   4.086   5.221   3.558 -0.1550 -0.3341  0.1766
+  115CYS      H 1726   4.132   5.209   3.647  0.3185  0.9528  0.1291
+  115CYS     CA 1727   3.945   5.195   3.539 -0.1037 -0.4256 -0.0856
+  115CYS     HA 1728   3.929   5.211   3.432  2.3102  0.6756 -0.3131
+  115CYS     CB 1729   3.915   5.053   3.585 -0.0857 -0.2910  0.3473
+  115CYS    HB1 1730   3.815   5.029   3.548  0.9989 -2.0802 -1.5399
+  115CYS    HB2 1731   3.919   5.058   3.694  0.3310  2.0488  0.2353
+  115CYS     SG 1732   4.010   4.918   3.510  0.1290 -0.0630  0.2110
+  115CYS      C 1733   3.857   5.301   3.605 -0.0894 -0.5257  0.0956
+  115CYS      O 1734   3.763   5.344   3.538  0.0350 -0.5175 -0.0760
+  116LYS      N 1735   3.890   5.346   3.726 -0.8287 -0.0509  0.1226
+  116LYS      H 1736   3.981   5.316   3.759 -1.4574 -0.0057  1.9393
+  116LYS     CA 1737   3.813   5.437   3.809 -0.1412  0.5421  0.1182
+  116LYS     HA 1738   3.719   5.392   3.840 -0.1478  0.3187 -0.2171
+  116LYS     CB 1739   3.906   5.461   3.928  0.2203 -0.3561  0.0225
+  116LYS    HB1 1740   3.986   5.529   3.900 -1.6391  1.9911  0.2211
+  116LYS    HB2 1741   3.941   5.360   3.953 -1.3654 -1.1096 -0.7059
+  116LYS     CG 1742   3.813   5.523   4.032  0.0108 -0.0439 -0.3480
+  116LYS    HG1 1743   3.735   5.451   4.056  0.5391 -0.0679  1.4080
+  116LYS    HG2 1744   3.775   5.621   4.003 -0.1010  0.2142  0.6565
+  116LYS     CD 1745   3.900   5.547   4.155 -0.6714 -0.0447  0.1392
+  116LYS    HD1 1746   3.982   5.615   4.132 -0.5945 -0.2577 -0.2212
+  116LYS    HD2 1747   3.953   5.457   4.186  1.3587  0.5276 -1.5749
+  116LYS     CE 1748   3.812   5.608   4.263 -0.7594  0.2847 -0.1185
+  116LYS    HE1 1749   3.722   5.550   4.283 -0.3814  0.1348  1.2288
+  116LYS    HE2 1750   3.791   5.707   4.222  1.3773  0.4512 -0.8851
+  116LYS     NZ 1751   3.886   5.621   4.390 -0.2040  0.0839 -0.4208
+  116LYS    HZ1 1752   3.979   5.658   4.389  0.9036 -2.5510  0.6643
+  116LYS    HZ2 1753   3.831   5.678   4.453  0.5107 -0.5364  0.7985
+  116LYS    HZ3 1754   3.891   5.529   4.431 -0.2587  0.7908  1.1979
+  116LYS      C 1755   3.788   5.566   3.733  0.1994  0.2842 -0.4409
+  116LYS      O 1756   3.881   5.629   3.683  0.4140  0.4855  0.2054
+  117GLY      N 1757   3.666   5.619   3.724 -0.1130 -0.4160 -0.3214
+  117GLY      H 1758   3.595   5.570   3.777 -0.3072 -0.8629 -0.9905
+  117GLY     CA 1759   3.628   5.740   3.655  0.0274 -0.0720  0.1981
+  117GLY    HA1 1760   3.691   5.823   3.685 -1.5850  1.7859 -1.3708
+  117GLY    HA2 1761   3.526   5.769   3.681  0.9339  3.1882  0.3614
+  117GLY      C 1762   3.628   5.736   3.502  0.1030 -0.0478  0.1975
+  117GLY      O 1763   3.594   5.837   3.442  0.3583  0.0240  0.1713
+  118THR      N 1764   3.672   5.625   3.443  0.4391  0.3019 -0.2112
+  118THR      H 1765   3.717   5.551   3.494 -1.6805 -1.6364 -1.0343
+  118THR     CA 1766   3.666   5.613   3.299 -0.2151  0.0514 -0.1651
+  118THR     HA 1767   3.682   5.712   3.257 -0.6633 -0.7032 -2.1963
+  118THR     CB 1768   3.771   5.518   3.240  0.0837  0.3255 -0.0739
+  118THR     HB 1769   3.777   5.537   3.132 -0.0453  0.5588 -0.0413
+  118THR    CG2 1770   3.906   5.546   3.306  0.0781  0.3018 -0.0527
+  118THR   HG21 1771   3.971   5.463   3.279  0.3261  1.4973 -3.3182
+  118THR   HG22 1772   3.940   5.639   3.261 -0.2383  1.4357  1.9925
+  118THR   HG23 1773   3.903   5.550   3.415 -1.2683  0.4147 -0.0848
+  118THR    OG1 1774   3.750   5.381   3.262  0.3856  0.1342 -0.9323
+  118THR    HG1 1775   3.730   5.370   3.356 -0.1307  1.0858 -0.9260
+  118THR      C 1776   3.525   5.572   3.257 -0.2554  0.0845 -0.0619
+  118THR      O 1777   3.446   5.521   3.336 -0.1666 -0.3748 -0.2674
+  119ASP      N 1778   3.494   5.574   3.127  0.4595 -0.2398 -0.2399
+  119ASP      H 1779   3.563   5.606   3.060  0.9617 -0.1612  0.3134
+  119ASP     CA 1780   3.382   5.507   3.064  0.5463 -0.2687 -0.3670
+  119ASP     HA 1781   3.290   5.535   3.116 -0.1918 -2.6724 -0.3331
+  119ASP     CB 1782   3.352   5.552   2.921 -0.1486  0.0618 -0.1252
+  119ASP    HB1 1783   3.430   5.532   2.847 -0.4170  1.4803 -0.7972
+  119ASP    HB2 1784   3.343   5.660   2.931  0.8614  0.2408 -0.9481
+  119ASP     CG 1785   3.222   5.496   2.867 -0.1069 -0.2026  0.0441
+  119ASP    OD1 1786   3.141   5.442   2.946 -0.2076 -0.4210 -0.2044
+  119ASP    OD2 1787   3.206   5.500   2.743 -0.0056 -0.5659  0.0189
+  119ASP      C 1788   3.414   5.359   3.065 -0.2445 -0.4404 -0.2206
+  119ASP      O 1789   3.459   5.309   2.962  0.1769 -0.4396 -0.0377
+  120VAL      N 1790   3.388   5.288   3.176 -0.2183 -0.0222  0.0538
+  120VAL      H 1791   3.369   5.348   3.255 -2.4873  0.8675 -1.1113
+  120VAL     CA 1792   3.407   5.145   3.188  0.4582  0.0321 -0.3298
+  120VAL     HA 1793   3.498   5.128   3.132 -0.0620  0.3871 -1.3005
+  120VAL     CB 1794   3.419   5.094   3.331  0.2338  0.2570 -0.2281
+  120VAL     HB 1795   3.426   4.985   3.322  0.2981  0.1570  0.9470
+  120VAL    CG1 1796   3.548   5.132   3.405 -0.0218 -0.0091  0.3631
+  120VAL   HG11 1797   3.559   5.083   3.502  0.4555 -2.5546 -0.9208
+  120VAL   HG12 1798   3.638   5.111   3.348 -0.3865  0.2306 -0.3086
+  120VAL   HG13 1799   3.544   5.240   3.420  0.1507 -0.1372  1.3152
+  120VAL    CG2 1800   3.301   5.115   3.425 -0.2701  0.0319 -0.8099
+  120VAL   HG21 1801   3.211   5.080   3.375 -0.9592  1.0099 -0.2856
+  120VAL   HG22 1802   3.307   5.052   3.514 -1.4425 -0.0455 -0.7826
+  120VAL   HG23 1803   3.289   5.218   3.461  1.6006 -0.7223  2.1602
+  120VAL      C 1804   3.295   5.072   3.115  0.0860 -0.1006  0.3635
+  120VAL      O 1805   3.312   4.955   3.081  0.3690  0.0528 -0.0255
+  121GLN      N 1806   3.184   5.141   3.089  0.3522  0.3257  0.3451
+  121GLN      H 1807   3.182   5.239   3.112 -3.2361  0.6831 -1.1494
+  121GLN     CA 1808   3.080   5.089   3.003  0.4800  0.0854  0.3330
+  121GLN     HA 1809   3.050   5.003   3.062  2.7631 -1.5111 -0.7885
+  121GLN     CB 1810   2.956   5.179   2.998  0.3351 -0.1045  0.5210
+  121GLN    HB1 1811   2.946   5.232   2.903  0.1678  0.5963  0.9294
+  121GLN    HB2 1812   2.962   5.256   3.074  0.6571  0.8343 -0.4386
+  121GLN     CG 1813   2.829   5.098   3.026  0.1682 -0.1890 -0.4610
+  121GLN    HG1 1814   2.817   5.074   3.131  2.1426 -2.4459 -0.6861
+  121GLN    HG2 1815   2.834   4.995   2.992 -1.1516  0.1111 -1.5845
+  121GLN     CD 1816   2.699   5.161   2.977  0.0130 -0.2055 -0.0667
+  121GLN    OE1 1817   2.618   5.102   2.907 -0.0731  0.8485 -0.8570
+  121GLN    NE2 1818   2.654   5.278   3.021 -0.3779 -0.5135  0.3638
+  121GLN   HE21 1819   2.707   5.319   3.097 -0.0098  1.0669 -0.7207
+  121GLN   HE22 1820   2.572   5.320   2.980 -1.2386 -2.1188  0.4204
+  121GLN      C 1821   3.128   5.047   2.865  0.4787 -0.1812  0.4133
+  121GLN      O 1822   3.069   4.963   2.797  0.3146  0.4512 -0.2325
+  122ALA      N 1823   3.245   5.093   2.820  0.1074  0.1347 -0.2380
+  122ALA      H 1824   3.293   5.163   2.875 -1.3001 -0.4536  1.7685
+  122ALA     CA 1825   3.300   5.039   2.698  0.0133 -0.3032 -0.0847
+  122ALA     HA 1826   3.232   5.047   2.613 -0.2415 -0.2967  0.1228
+  122ALA     CB 1827   3.430   5.116   2.676 -0.2616  0.0480 -0.4704
+  122ALA    HB1 1828   3.477   5.066   2.591  1.3473  0.6570  0.0402
+  122ALA    HB2 1829   3.407   5.218   2.643 -0.9520  0.1227  0.2449
+  122ALA    HB3 1830   3.490   5.127   2.766  0.0186  1.3309 -0.7955
+  122ALA      C 1831   3.338   4.891   2.707  0.5933 -0.1845 -0.4937
+  122ALA      O 1832   3.318   4.813   2.615 -0.2802  0.0603 -0.5145
+  123TRP      N 1833   3.382   4.841   2.823 -0.2632 -0.0946 -0.1215
+  123TRP      H 1834   3.395   4.909   2.896 -3.4063  0.6943 -0.2164
+  123TRP     CA 1835   3.433   4.707   2.847  0.1479  0.0353 -0.2657
+  123TRP     HA 1836   3.502   4.696   2.763 -1.8401 -0.8420 -1.8351
+  123TRP     CB 1837   3.516   4.695   2.974 -0.2814  0.5803  0.0675
+  123TRP    HB1 1838   3.542   4.592   2.999 -1.7116 -0.3066 -1.9640
+  123TRP    HB2 1839   3.466   4.728   3.066 -0.7221 -0.6158  0.2722
+  123TRP     CG 1840   3.640   4.777   2.963  0.0993  0.0169  0.1036
+  123TRP    CD1 1841   3.649   4.910   2.983  0.2588  0.0769 -0.3566
+  123TRP    HD1 1842   3.572   4.978   3.018  1.2000 -0.0016  2.0181
+  123TRP    NE1 1843   3.779   4.950   2.956  0.4516 -0.2584  0.0632
+  123TRP    HE1 1844   3.807   5.045   2.975 -1.0197  0.3084 -0.4933
+  123TRP    CE2 1845   3.858   4.846   2.913  0.3360 -0.5026  0.4383
+  123TRP    CZ2 1846   3.991   4.848   2.870  0.5192  0.2062  1.0147
+  123TRP    HZ2 1847   4.052   4.936   2.878 -1.4645  1.6920  0.2186
+  123TRP    CH2 1848   4.038   4.734   2.802 -0.2300  0.6885 -0.3405
+  123TRP    HH2 1849   4.133   4.731   2.751 -0.6098 -1.4499 -0.9375
+  123TRP    CZ3 1850   3.952   4.625   2.785  0.2220  0.2252  0.3049
+  123TRP    HZ3 1851   3.981   4.542   2.723  1.4528  1.2013 -0.4623
+  123TRP    CE3 1852   3.821   4.629   2.833 -0.0573 -0.1213 -0.4265
+  123TRP    HE3 1853   3.759   4.543   2.812 -1.3165  0.8865 -0.8894
+  123TRP    CD2 1854   3.768   4.737   2.906 -0.3735  0.1704 -1.0794
+  123TRP      C 1855   3.337   4.592   2.818  0.1205  0.0202 -0.1181
+  123TRP      O 1856   3.389   4.485   2.787 -0.3063 -0.1676 -0.1862
+  124ILE      N 1857   3.205   4.607   2.816  0.0863 -0.2392  0.1293
+  124ILE      H 1858   3.160   4.697   2.832  2.8678  1.0398  0.9879
+  124ILE     CA 1859   3.113   4.499   2.788  0.1377 -0.1815 -0.2705
+  124ILE     HA 1860   3.170   4.411   2.757  1.2834  0.3941  0.1841
+  124ILE     CB 1861   3.025   4.466   2.908  0.1961  0.3475 -0.0812
+  124ILE     HB 1862   2.989   4.368   2.876 -1.5072  0.2120  2.1213
+  124ILE    CG2 1863   3.110   4.426   3.029  0.4025  0.0597 -0.3170
+  124ILE   HG21 1864   3.167   4.512   3.065 -1.8148  2.0952 -1.4385
+  124ILE   HG22 1865   3.042   4.395   3.109  1.8340 -0.9515  0.5300
+  124ILE   HG23 1866   3.177   4.347   2.997  1.8692  0.9320  0.5630
+  124ILE    CG1 1867   2.899   4.548   2.933 -0.2367 -0.4147  0.2560
+  124ILE   HG11 1868   2.835   4.531   2.847 -2.4951  0.2978  1.7618
+  124ILE   HG12 1869   2.921   4.654   2.923  1.2838 -0.7677 -0.2232
+  124ILE     CD 1870   2.814   4.542   3.059 -0.6857 -0.5836 -0.0531
+  124ILE    HD1 1871   2.767   4.444   3.066 -0.2447 -0.8001 -0.1128
+  124ILE    HD2 1872   2.875   4.570   3.145  0.9196  2.0042 -2.0020
+  124ILE    HD3 1873   2.735   4.616   3.046  0.2731  0.1971 -1.4639
+  124ILE      C 1874   3.033   4.530   2.662 -0.0868 -0.7374 -0.2656
+  124ILE      O 1875   2.931   4.470   2.627 -0.5916 -0.7414  1.1692
+  125ARG      N 1876   3.064   4.634   2.584 -0.8000 -0.3409 -0.0238
+  125ARG      H 1877   3.133   4.694   2.627 -1.4072 -1.6049  2.8329
+  125ARG     CA 1878   3.000   4.678   2.462 -0.2017  0.1015 -0.1788
+  125ARG     HA 1879   2.892   4.681   2.474 -0.0804 -0.7962  1.3076
+  125ARG     CB 1880   3.063   4.813   2.430 -0.1351  0.0055 -0.4614
+  125ARG    HB1 1881   3.172   4.806   2.436 -0.2157 -0.9237 -0.0964
+  125ARG    HB2 1882   3.043   4.888   2.507  3.5826  0.5310  0.0786
+  125ARG     CG 1883   3.007   4.875   2.303 -0.0138  0.2973 -0.3740
+  125ARG    HG1 1884   2.898   4.877   2.313  0.1323 -0.2219  1.5633
+  125ARG    HG2 1885   3.046   4.814   2.222  0.1024  0.5206 -0.4852
+  125ARG     CD 1886   3.040   5.021   2.274 -0.0666  0.3587 -0.1227
+  125ARG    HD1 1887   2.990   5.084   2.348 -1.4594  0.1291 -0.8435
+  125ARG    HD2 1888   2.988   5.065   2.189 -1.7791  0.1644  0.8002
+  125ARG     NE 1889   3.185   5.038   2.267 -0.0284  0.2360  0.3319
+  125ARG     HE 1890   3.214   5.111   2.330 -0.1274 -1.9231  2.9896
+  125ARG     CZ 1891   3.270   4.994   2.173  0.4846  0.3444  0.7462
+  125ARG    NH1 1892   3.230   4.904   2.082  0.5448  0.5556  0.5134
+  125ARG   HH11 1893   3.131   4.893   2.067  0.4410  1.6599  0.2675
+  125ARG   HH12 1894   3.297   4.847   2.033 -0.2336  1.3749 -1.5832
+  125ARG    NH2 1895   3.401   5.023   2.170  0.4658  0.3335 -0.1173
+  125ARG   HH21 1896   3.439   5.089   2.236 -1.3730 -0.6977  2.0503
+  125ARG   HH22 1897   3.460   4.974   2.105 -0.8898  2.4454 -3.0942
+  125ARG      C 1898   3.019   4.586   2.342  0.3892  0.1320 -0.1093
+  125ARG      O 1899   3.123   4.522   2.325 -0.0428 -0.5169 -0.3174
+  126GLY      N 1900   2.918   4.562   2.259 -0.0330 -0.3784  0.5400
+  126GLY      H 1901   2.831   4.607   2.286 -0.3623 -0.7071  0.0441
+  126GLY     CA 1902   2.915   4.464   2.152  0.2824  0.2072 -0.0101
+  126GLY    HA1 1903   3.014   4.458   2.109  0.7034  1.4753  0.7293
+  126GLY    HA2 1904   2.836   4.505   2.088 -0.2846 -1.4109 -0.3567
+  126GLY      C 1905   2.881   4.326   2.206  0.0021  0.3451  0.1747
+  126GLY      O 1906   2.852   4.239   2.124 -0.5179  0.1887  0.5239
+  127CYS      N 1907   2.876   4.296   2.336 -0.0297 -0.6418 -0.0516
+  127CYS      H 1908   2.908   4.361   2.406 -4.3965  0.9531  0.5801
+  127CYS     CA 1909   2.873   4.157   2.376 -0.3336 -0.6110  0.0304
+  127CYS     HA 1910   2.928   4.086   2.314  0.1801  0.6460 -0.9720
+  127CYS     CB 1911   2.947   4.152   2.509 -0.2488 -0.2047 -0.0022
+  127CYS    HB1 1912   2.934   4.055   2.556  2.1662 -0.9250 -0.7399
+  127CYS    HB2 1913   2.898   4.226   2.572  1.5383 -0.0013  1.2085
+  127CYS     SG 1914   3.124   4.193   2.514 -0.2797 -0.0998  0.2208
+  127CYS      C 1915   2.732   4.104   2.403 -0.3983 -0.3804  0.1431
+  127CYS      O 1916   2.653   4.181   2.458 -0.2383 -0.2479  0.1896
+  128ARG      N 1917   2.696   3.981   2.366  0.0657 -0.5422  0.2235
+  128ARG      H 1918   2.752   3.939   2.293  0.0607 -0.0683 -0.0518
+  128ARG     CA 1919   2.570   3.923   2.406  0.0378 -0.3720  0.3795
+  128ARG     HA 1920   2.492   3.998   2.392  1.1150  0.5917 -0.5442
+  128ARG     CB 1921   2.540   3.806   2.313 -0.1546 -0.0164 -0.0080
+  128ARG    HB1 1922   2.610   3.727   2.343  2.1703  0.9708 -2.5903
+  128ARG    HB2 1923   2.557   3.835   2.209 -1.2231 -0.8438 -0.4221
+  128ARG     CG 1924   2.406   3.735   2.331  0.1577 -0.5775  0.1299
+  128ARG    HG1 1925   2.322   3.797   2.361 -1.0906 -2.1304 -0.1036
+  128ARG    HG2 1926   2.420   3.661   2.410 -0.1547 -1.8979 -1.0296
+  128ARG     CD 1927   2.358   3.670   2.202 -0.0083  0.0618 -0.1303
+  128ARG    HD1 1928   2.343   3.752   2.132  1.7275  1.1536  0.7333
+  128ARG    HD2 1929   2.265   3.620   2.230  1.0070 -1.7522  0.0459
+  128ARG     NE 1930   2.453   3.573   2.148  0.6276  0.4912  0.2204
+  128ARG     HE 1931   2.474   3.499   2.213 -3.2408 -0.5246  0.4006
+  128ARG     CZ 1932   2.517   3.566   2.030 -0.0168 -0.1205 -0.0897
+  128ARG    NH1 1933   2.484   3.647   1.928 -0.1566 -0.5890 -0.4186
+  128ARG   HH11 1934   2.404   3.708   1.935 -1.4298 -2.0087 -2.1306
+  128ARG   HH12 1935   2.539   3.641   1.843 -1.3525 -0.5320 -1.1992
+  128ARG    NH2 1936   2.614   3.477   2.009 -0.0408 -0.1658 -0.0094
+  128ARG   HH21 1937   2.648   3.408   2.074 -0.7045 -0.6544 -0.1673
+  128ARG   HH22 1938   2.663   3.468   1.921  0.2309 -1.6731  0.2690
+  128ARG      C 1939   2.567   3.893   2.556  0.8554  0.4821  0.5715
+  128ARG      O 1940   2.650   3.812   2.595  0.6034 -0.0639  0.0054
+  129LEU      N 1941   2.466   3.945   2.626 -0.0021 -0.2581 -0.1044
+  129LEU      H 1942   2.391   3.999   2.586 -0.4913 -1.1157 -0.3704
+  129LEU     CA 1943   2.459   3.943   2.771 -0.2470 -0.0595 -0.1133
+  129LEU     HA 1944   2.511   3.856   2.811  0.4774 -0.2485 -1.4511
+  129LEU     CB 1945   2.520   4.069   2.832 -0.3996 -0.0965  0.1167
+  129LEU    HB1 1946   2.485   4.078   2.935 -1.2530 -0.2444 -0.1537
+  129LEU    HB2 1947   2.482   4.159   2.784  1.6758 -0.8629 -3.1775
+  129LEU     CG 1948   2.672   4.063   2.842 -0.4238  0.2297  0.6604
+  129LEU     HG 1949   2.717   4.056   2.744  0.2708 -2.7824  1.1236
+  129LEU    CD1 1950   2.733   4.180   2.918  0.3824  0.1599  0.1164
+  129LEU   HD11 1951   2.841   4.168   2.933  0.0942 -0.1883  2.0080
+  129LEU   HD12 1952   2.702   4.271   2.866  0.5645  0.5533  0.6903
+  129LEU   HD13 1953   2.683   4.179   3.015 -2.2026  1.5447 -1.1488
+  129LEU    CD2 1954   2.718   3.944   2.927  0.4338  0.5741  0.6788
+  129LEU   HD21 1955   2.698   3.847   2.882 -0.2556  0.8448  0.3988
+  129LEU   HD22 1956   2.827   3.944   2.933  0.5346 -0.8029 -0.9298
+  129LEU   HD23 1957   2.674   3.948   3.027  0.9975  2.5212  0.8821
+  129LEU      C 1958   2.315   3.917   2.816 -0.1288 -0.2921  0.1327
+  129LEU    OC1 1959   2.296   3.893   2.937  0.1336 -0.3746  0.1584
+  129LEU    OC2 1960   2.224   3.932   2.732  0.0977 -0.0268 -0.0671
+  130SOL     OW 1961   5.764   6.090   6.883  0.2978  0.3097  0.0559
+  130SOL    HW1 1962   5.791   6.016   6.936  0.5118 -0.4600 -1.1134
+  130SOL    HW2 1963   5.809   6.165   6.922  0.8788 -0.3248  0.6175
+  131SOL     OW 1964   4.541   2.583   1.602  0.1782 -0.2038 -0.0177
+  131SOL    HW1 1965   4.550   2.629   1.685 -0.1218  0.2041 -0.2100
+  131SOL    HW2 1966   4.630   2.555   1.580  0.1379 -0.9925  0.8283
+  132SOL     OW 1967   3.969   4.429   1.012 -0.3293 -0.6067  0.0290
+  132SOL    HW1 1968   3.947   4.348   1.059  0.1417  0.0898  1.4530
+  132SOL    HW2 1969   3.889   4.452   0.966 -1.1845 -0.6098  1.4882
+  133SOL     OW 1970   3.942   3.217   5.727  0.0629  0.1580  0.2929
+  133SOL    HW1 1971   3.865   3.172   5.691 -0.1132 -0.2557  1.1727
+  133SOL    HW2 1972   4.011   3.151   5.727  0.4592  0.5592 -0.5938
+  134SOL     OW 1973   4.997   3.226   2.609  0.7672  0.4019 -0.4696
+  134SOL    HW1 1974   5.011   3.132   2.599  1.5280  0.6503 -1.8296
+  134SOL    HW2 1975   5.082   3.260   2.639  0.8503  0.8129 -1.1515
+  135SOL     OW 1976   1.355   3.461   2.190 -0.0802  0.3916 -0.2316
+  135SOL    HW1 1977   1.379   3.385   2.243  1.0621  0.6228 -0.4041
+  135SOL    HW2 1978   1.426   3.469   2.126 -1.7356 -0.2518 -2.1887
+  136SOL     OW 1979   3.337   4.774   1.133 -1.0775  0.1435  0.3790
+  136SOL    HW1 1980   3.410   4.799   1.189 -0.3965  2.2243 -1.3538
+  136SOL    HW2 1981   3.287   4.855   1.122 -2.9427 -0.9618  0.4940
+  137SOL     OW 1982   4.600   4.196   2.289  0.1309 -0.3069  0.2994
+  137SOL    HW1 1983   4.635   4.174   2.375  0.9942  0.0587  0.0486
+  137SOL    HW2 1984   4.669   4.247   2.247 -1.4710  2.1754  0.5494
+  138SOL     OW 1985   4.205   4.729   2.086 -0.0844  0.5184 -0.5521
+  138SOL    HW1 1986   4.231   4.682   2.007  0.0436  1.0417 -0.8192
+  138SOL    HW2 1987   4.129   4.780   2.061  0.1086  0.8832 -0.4070
+  139SOL     OW 1988   2.724   4.070   1.754 -0.3239  0.2169 -0.1593
+  139SOL    HW1 1989   2.707   4.028   1.670  0.3537  1.3955 -0.9018
+  139SOL    HW2 1990   2.638   4.096   1.787 -0.6176 -0.5403 -0.3312
+  140SOL     OW 1991   3.987   4.310   2.476  0.0405  0.4029 -0.3361
+  140SOL    HW1 1992   3.987   4.225   2.433 -0.8382  0.4364 -0.4166
+  140SOL    HW2 1993   3.958   4.371   2.408  0.3099  0.7149 -0.1748
+  141SOL     OW 1994   3.724   4.702   2.211  0.0820 -0.3881  0.1903
+  141SOL    HW1 1995   3.698   4.788   2.244  1.8100 -0.0683  0.7499
+  141SOL    HW2 1996   3.669   4.640   2.259  1.4909  0.1709  2.5534
+  142SOL     OW 1997   4.262   2.964   2.036  0.1349  0.2802  0.6373
+  142SOL    HW1 1998   4.309   3.044   2.013 -2.1054  2.1047  2.2005
+  142SOL    HW2 1999   4.326   2.894   2.020  2.4828  2.4236  0.2220
+  143SOL     OW 2000   5.542   5.090   1.144  0.2193  0.0712  0.3954
+  143SOL    HW1 2001   5.576   5.100   1.232  1.4636  0.7355 -0.1486
+  143SOL    HW2 2002   5.618   5.067   1.090 -0.1123  1.6920 -0.8471
+  144SOL     OW 2003   2.297   4.131   2.458 -0.1329  0.4825  0.0247
+  144SOL    HW1 2004   2.310   4.199   2.392 -0.7484  0.4153 -0.1691
+  144SOL    HW2 2005   2.272   4.053   2.408 -0.6396  0.4413  0.3341
+  145SOL     OW 2006   2.376   2.953   2.264  0.4381 -0.5043 -0.9065
+  145SOL    HW1 2007   2.411   2.978   2.349  1.8414 -0.4253 -1.5037
+  145SOL    HW2 2008   2.385   2.857   2.262  0.2592 -0.5225 -0.9116
+  146SOL     OW 2009   4.665   4.485   1.618  0.1417 -0.4459  0.0534
+  146SOL    HW1 2010   4.658   4.542   1.542 -1.3114  1.0907  1.3097
+  146SOL    HW2 2011   4.575   4.464   1.642  0.5793 -1.0326  1.2653
+  147SOL     OW 2012   4.178   5.225   2.301  0.6461 -0.4778  0.3784
+  147SOL    HW1 2013   4.155   5.318   2.302  1.2414 -0.3108  3.6368
+  147SOL    HW2 2014   4.137   5.189   2.380  1.4056 -2.7486 -0.2142
+  148SOL     OW 2015   4.311   2.261   2.428  0.0616 -0.4054  0.2033
+  148SOL    HW1 2016   4.366   2.230   2.500 -1.6022 -1.5271  1.0209
+  148SOL    HW2 2017   4.222   2.255   2.462 -0.7412 -0.8542 -1.9251
+  149SOL     OW 2018   5.577   4.108   1.668  0.3696  0.4632 -0.2864
+  149SOL    HW1 2019   5.508   4.165   1.634  0.3162  0.2130 -0.5976
+  149SOL    HW2 2020   5.535   4.062   1.741 -0.5299 -1.4545 -1.9653
+  150SOL     OW 2021   3.623   5.591   2.659 -0.5823 -0.3946  0.5129
+  150SOL    HW1 2022   3.689   5.587   2.728  0.8269 -1.0534 -0.8364
+  150SOL    HW2 2023   3.625   5.681   2.628 -0.5592 -0.3207  0.7324
+  151SOL     OW 2024   4.561   5.807   1.784 -0.2486  0.4416 -0.0771
+  151SOL    HW1 2025   4.632   5.796   1.720  0.1011 -0.3746  0.4387
+  151SOL    HW2 2026   4.570   5.896   1.816  0.8246  0.1924  0.3157
+  152SOL     OW 2027   5.618   3.690   3.484  0.2939 -0.1418  0.3624
+  152SOL    HW1 2028   5.634   3.621   3.548  0.8296  0.3312  0.7340
+  152SOL    HW2 2029   5.671   3.763   3.513 -0.4459  0.5113  0.0862
+  153SOL     OW 2030   6.517   4.226   2.610  0.0958  0.4197 -0.2399
+  153SOL    HW1 2031   6.500   4.150   2.553  0.8689 -0.9261  1.2666
+  153SOL    HW2 2032   6.558   4.291   2.553 -1.5974  0.1446 -1.8166
+  154SOL     OW 2033   4.113   5.473   2.337 -0.1316 -0.8417 -0.2526
+  154SOL    HW1 2034   4.097   5.564   2.362  0.9840 -1.0772  1.3576
+  154SOL    HW2 2035   4.074   5.466   2.250  2.1391  1.9022 -1.5820
+  155SOL     OW 2036   3.388   4.176   2.119  0.1728  0.6841  0.0267
+  155SOL    HW1 2037   3.409   4.163   2.026 -0.3423  2.8979 -0.4080
+  155SOL    HW2 2038   3.292   4.176   2.122  0.1785 -0.5219  0.7501
+  156SOL     OW 2039   4.659   5.496   1.504  0.2700  0.0926 -0.0955
+  156SOL    HW1 2040   4.680   5.451   1.422  0.5321 -0.7174  0.4136
+  156SOL    HW2 2041   4.698   5.442   1.572  0.7351  1.1821  0.5149
+  157SOL     OW 2042   3.421   3.497   2.276 -0.1280  0.0392  0.1702
+  157SOL    HW1 2043   3.408   3.407   2.307 -1.5434  0.5019  0.9435
+  157SOL    HW2 2044   3.372   3.501   2.194  1.6267 -0.4714 -0.9461
+  158SOL     OW 2045   3.662   7.327   3.501  0.1078  0.3440 -0.0444
+  158SOL    HW1 2046   3.594   7.261   3.517 -1.5245  2.4483  1.9625
+  158SOL    HW2 2047   3.674   7.326   3.406 -0.7259 -2.0040 -0.1556
+  159SOL     OW 2048   4.656   3.060   3.046 -0.4361  0.3963 -0.0790
+  159SOL    HW1 2049   4.657   3.147   3.087  1.0246 -0.3547  1.5422
+  159SOL    HW2 2050   4.712   3.069   2.969 -0.5959  0.9861 -0.1298
+  160SOL     OW 2051   3.613   6.213   3.406 -0.4306 -0.1971 -0.3558
+  160SOL    HW1 2052   3.635   6.297   3.446 -0.3691 -0.0731 -0.6548
+  160SOL    HW2 2053   3.698   6.170   3.392 -0.5359 -1.0442  1.4008
+  161SOL     OW 2054   3.952   5.228   3.151  0.0358 -0.0797  0.1727
+  161SOL    HW1 2055   3.997   5.262   3.229  1.2337 -0.4297 -0.3731
+  161SOL    HW2 2056   3.862   5.261   3.161  0.7317  1.7791  0.5635
+  162SOL     OW 2057   4.066   5.620   2.610  0.3418 -0.3560  0.2295
+  162SOL    HW1 2058   4.132   5.552   2.622 -0.2368 -0.7721  1.0622
+  162SOL    HW2 2059   4.111   5.701   2.635  0.6582 -0.5872  0.4107
+  163SOL     OW 2060   3.548   2.182   4.523  0.5435  0.2347 -0.0436
+  163SOL    HW1 2061   3.632   2.181   4.477  1.7048 -0.9390  2.0410
+  163SOL    HW2 2062   3.532   2.089   4.543  0.5370  0.8082  2.7297
+  164SOL     OW 2063   5.493   3.248   3.545  0.5518  0.2299 -0.1045
+  164SOL    HW1 2064   5.409   3.268   3.586  0.7133 -1.1322  0.9461
+  164SOL    HW2 2065   5.471   3.188   3.473  0.7337 -1.2473  1.0389
+  165SOL     OW 2066   5.328   4.085   2.215  0.1485 -0.4593 -0.3871
+  165SOL    HW1 2067   5.304   4.068   2.306  1.0526 -0.3259 -0.1134
+  165SOL    HW2 2068   5.341   3.998   2.177  0.5325 -0.4957 -0.1742
+  166SOL     OW 2069   2.004   3.794   2.922 -0.6132 -0.2503 -0.1136
+  166SOL    HW1 2070   2.072   3.851   2.885 -0.3973 -0.7975 -0.5675
+  166SOL    HW2 2071   1.922   3.836   2.898 -0.4458  0.1557  0.0124
+  167SOL     OW 2072   3.540   6.851   4.501  0.1539 -0.0947 -0.1952
+  167SOL    HW1 2073   3.453   6.814   4.488  0.5978 -0.2801 -2.9003
+  167SOL    HW2 2074   3.599   6.788   4.459  1.1907  2.0997 -2.1424
+  168SOL     OW 2075   1.955   3.006   2.588 -0.1847  0.5652 -0.3748
+  168SOL    HW1 2076   2.038   3.032   2.547  0.2884 -1.2701 -0.5984
+  168SOL    HW2 2077   1.909   2.956   2.521 -0.2975 -0.7221  0.6493
+  169SOL     OW 2078   5.920   4.064   3.929  0.4605 -0.6969 -0.1400
+  169SOL    HW1 2079   5.960   4.146   3.958  0.2953 -0.3755 -0.8237
+  169SOL    HW2 2080   5.930   4.064   3.834  0.4034 -1.4428 -0.1539
+  170SOL     OW 2081   2.968   4.867   3.296  0.2349 -0.1325  0.3635
+  170SOL    HW1 2082   2.978   4.955   3.334 -0.9877 -0.0714  0.5660
+  170SOL    HW2 2083   2.873   4.858   3.282  0.5837 -0.4930 -1.8974
+  171SOL     OW 2084   3.161   5.209   4.113  0.2981 -0.0486 -0.1976
+  171SOL    HW1 2085   3.216   5.281   4.145  0.6710 -0.2419 -0.3993
+  171SOL    HW2 2086   3.150   5.228   4.019 -2.3523  1.5461  0.3861
+  172SOL     OW 2087   3.316   2.721   2.652  0.7432  0.1400 -0.6537
+  172SOL    HW1 2088   3.341   2.632   2.627  2.1049  0.5240 -0.6629
+  172SOL    HW2 2089   3.323   2.721   2.748  0.2562  0.1059 -0.6131
+  173SOL     OW 2090   3.578   6.851   4.805  0.1694  0.1721  0.4568
+  173SOL    HW1 2091   3.538   6.818   4.724 -3.1193 -0.8789  2.4409
+  173SOL    HW2 2092   3.655   6.795   4.818 -0.6441 -1.2259 -0.6594
+  174SOL     OW 2093   2.368   4.751   5.281 -0.2492  0.0540 -0.0489
+  174SOL    HW1 2094   2.441   4.774   5.338 -0.6033 -0.1482  0.4976
+  174SOL    HW2 2095   2.387   4.661   5.252  0.2117  0.3582 -0.7059
+  175SOL     OW 2096   5.203   4.783   3.308  0.0629  0.1515 -0.0201
+  175SOL    HW1 2097   5.168   4.870   3.327 -0.4316  0.0729 -0.5438
+  175SOL    HW2 2098   5.149   4.724   3.361  0.8776  0.2233  0.9007
+  176SOL     OW 2099   4.004   2.238   3.205  0.1200  0.0222 -0.3865
+  176SOL    HW1 2100   4.029   2.166   3.263  0.9890 -0.3471 -1.2037
+  176SOL    HW2 2101   3.915   2.217   3.177 -0.5840  0.5974  1.4159
+  177SOL     OW 2102   4.437   2.806   3.392  0.3847 -0.0727 -0.2512
+  177SOL    HW1 2103   4.428   2.716   3.360 -0.9964  0.2743 -0.8680
+  177SOL    HW2 2104   4.428   2.799   3.487 -0.4580 -0.4895 -0.3639
+  178SOL     OW 2105   4.038   0.297   4.243 -0.0473  0.0694 -0.8180
+  178SOL    HW1 2106   3.953   0.326   4.277  1.3899  0.8288  2.3026
+  178SOL    HW2 2107   4.046   0.207   4.273  0.2607  0.0164 -1.0655
+  179SOL     OW 2108   3.079   3.076   3.337 -0.4529 -0.2935  0.2433
+  179SOL    HW1 2109   3.063   3.104   3.246 -0.3936  1.7069  0.8153
+  179SOL    HW2 2110   3.168   3.041   3.335 -1.0536 -1.7966 -0.8025
+  180SOL     OW 2111   4.833   4.880   3.501 -0.1863 -0.2405 -0.0289
+  180SOL    HW1 2112   4.846   4.941   3.573  0.5683 -0.0893 -0.2926
+  180SOL    HW2 2113   4.779   4.810   3.538  0.6501 -0.4425  0.8272
+  181SOL     OW 2114   2.400   2.708   3.828  0.4263 -0.2558  0.2773
+  181SOL    HW1 2115   2.452   2.635   3.793 -0.7418 -1.2597  0.5855
+  181SOL    HW2 2116   2.419   2.708   3.922  0.2389 -0.3211  0.3156
+  182SOL     OW 2117   3.728   2.084   2.948  0.7737  0.2300  0.1705
+  182SOL    HW1 2118   3.747   2.144   3.020 -0.5510 -0.9524  1.5276
+  182SOL    HW2 2119   3.791   2.013   2.960 -1.5270 -1.5764  2.1457
+  183SOL     OW 2120   4.635   3.936   2.449  0.5221  0.5503  0.1102
+  183SOL    HW1 2121   4.724   3.947   2.481  0.1694 -1.2302  1.7973
+  183SOL    HW2 2122   4.641   3.870   2.380  0.6272  1.0049 -0.3131
+  184SOL     OW 2123   2.068   2.966   3.424 -0.7064  0.3881 -0.0369
+  184SOL    HW1 2124   2.157   2.939   3.447 -0.9679  0.6798  1.3525
+  184SOL    HW2 2125   2.040   3.021   3.496 -2.3114 -0.3248 -0.0807
+  185SOL     OW 2126   5.926   2.788   3.724 -0.0273  0.1369 -0.4259
+  185SOL    HW1 2127   5.942   2.873   3.766 -0.0094  0.3756 -0.9135
+  185SOL    HW2 2128   5.979   2.790   3.645  0.6429 -0.6793 -0.0080
+  186SOL     OW 2129   3.468   6.846   3.900 -0.1852 -0.8870  0.5225
+  186SOL    HW1 2130   3.528   6.877   3.832  0.2495 -0.1940  1.2110
+  186SOL    HW2 2131   3.424   6.925   3.931 -0.2955 -1.1822  1.1303
+  187SOL     OW 2132   3.856   1.515   2.875 -0.5262  0.0166  0.3536
+  187SOL    HW1 2133   3.818   1.486   2.791  0.5194 -1.6373  0.4280
+  187SOL    HW2 2134   3.780   1.535   2.929 -1.2257  0.6596 -0.8376
+  188SOL     OW 2135   4.482   6.636   3.138 -0.5354  0.2558 -0.7629
+  188SOL    HW1 2136   4.455   6.574   3.206 -1.5490 -0.7300 -2.0382
+  188SOL    HW2 2137   4.566   6.601   3.106 -0.4612  0.2653 -0.5754
+  189SOL     OW 2138   4.147   6.527   4.038 -0.4666  0.0917 -0.2693
+  189SOL    HW1 2139   4.187   6.443   4.014 -0.2935  0.3352 -0.8514
+  189SOL    HW2 2140   4.221   6.583   4.061 -0.5720  0.1259 -0.0181
+  190SOL     OW 2141   3.863   6.480   4.374 -0.3583  0.1341  0.3839
+  190SOL    HW1 2142   3.822   6.560   4.406  0.6500  0.4231  0.9864
+  190SOL    HW2 2143   3.957   6.500   4.373 -0.0512 -1.2166  1.0506
+  191SOL     OW 2144   4.065   2.257   1.931 -0.2487 -0.0617 -0.5286
+  191SOL    HW1 2145   4.120   2.202   1.875  0.6556  0.4736 -0.1801
+  191SOL    HW2 2146   4.118   2.271   2.010 -0.8741  0.4848 -0.2017
+  192SOL     OW 2147   0.258   5.765   3.547 -0.4321 -0.3105  0.1585
+  192SOL    HW1 2148   0.307   5.804   3.475 -0.2557 -1.6154 -0.4399
+  192SOL    HW2 2149   0.238   5.676   3.518 -0.9890 -0.6211  1.4244
+  193SOL     OW 2150   5.417   4.861   3.090  0.1830 -0.1910 -0.0622
+  193SOL    HW1 2151   5.490   4.865   3.152 -0.0470 -1.4132  0.3149
+  193SOL    HW2 2152   5.339   4.852   3.146 -0.2764  1.2728 -0.4563
+  194SOL     OW 2153   3.495   5.679   4.058  0.0010 -0.2986  0.0088
+  194SOL    HW1 2154   3.421   5.739   4.066 -0.2102 -0.5604 -0.0237
+  194SOL    HW2 2155   3.571   5.737   4.051 -0.4045  0.0182 -2.3464
+  195SOL     OW 2156   3.586   5.589   4.794  0.6457  0.1248 -0.1282
+  195SOL    HW1 2157   3.586   5.497   4.817  1.9009  0.5810  1.7722
+  195SOL    HW2 2158   3.495   5.617   4.809  1.2094  0.2248  3.7514
+  196SOL     OW 2159   1.955   2.791   3.739 -0.0716 -0.1573  0.1273
+  196SOL    HW1 2160   1.931   2.738   3.663  0.8684 -1.8057  0.9527
+  196SOL    HW2 2161   1.995   2.869   3.702  1.1517 -1.3253 -1.0829
+  197SOL     OW 2162   4.026   3.168   3.793 -0.0411 -0.1618 -0.4628
+  197SOL    HW1 2163   4.048   3.095   3.735 -0.1460 -1.8501  1.5559
+  197SOL    HW2 2164   3.959   3.132   3.852 -1.0262  1.9572 -0.2433
+  198SOL     OW 2165   3.722   6.714   4.333  0.2519  0.5452  0.4262
+  198SOL    HW1 2166   3.702   6.637   4.279 -2.6917  2.2841 -1.0672
+  198SOL    HW2 2167   3.753   6.779   4.270 -0.7974  1.7776  1.1695
+  199SOL     OW 2168   4.851   4.461   3.833 -0.0594  0.4124 -0.1691
+  199SOL    HW1 2169   4.888   4.502   3.911  2.5005 -0.6920 -0.7568
+  199SOL    HW2 2170   4.769   4.421   3.863  0.9628 -0.1142  1.9847
+  200SOL     OW 2171   4.243   3.305   3.746 -0.2609 -0.6359 -0.7953
+  200SOL    HW1 2172   4.157   3.265   3.758 -0.1704 -0.6707 -0.2092
+  200SOL    HW2 2173   4.295   3.271   3.820  0.7269 -1.8797 -2.0356
+  201SOL     OW 2174   5.455   4.605   2.844  0.1202 -0.0531 -0.8161
+  201SOL    HW1 2175   5.483   4.576   2.757  0.6299 -0.6563 -0.4569
+  201SOL    HW2 2176   5.516   4.675   2.867  3.1186 -3.1335  1.0864
+  202SOL     OW 2177   5.360   3.530   3.523  0.1509  0.0156  0.0344
+  202SOL    HW1 2178   5.351   3.519   3.618 -1.4452  1.1793  0.0509
+  202SOL    HW2 2179   5.450   3.560   3.510  0.1504  0.5768  1.2614
+  203SOL     OW 2180   5.651   3.958   3.955  0.3601  0.1420  0.2432
+  203SOL    HW1 2181   5.715   4.027   3.974  0.7773  0.0280 -0.7191
+  203SOL    HW2 2182   5.653   3.950   3.860 -1.2009  0.2358  0.1977
+  204SOL     OW 2183   5.284   2.173   3.558  0.7228  0.2167 -0.3962
+  204SOL    HW1 2184   5.215   2.147   3.619 -0.2488 -0.9529 -1.9833
+  204SOL    HW2 2185   5.245   2.165   3.472  1.6205  3.2828 -1.1469
+  205SOL     OW 2186   5.139   0.460   3.996 -0.1781  0.0435  0.2281
+  205SOL    HW1 2187   5.197   0.394   4.033  0.3308  0.6615  0.5534
+  205SOL    HW2 2188   5.068   0.469   4.060  0.6409  1.0296  1.0197
+  206SOL     OW 2189   2.912   3.440   4.520 -0.1263  0.3541  0.6118
+  206SOL    HW1 2190   2.833   3.388   4.536  0.4889 -0.1540  2.1185
+  206SOL    HW2 2191   2.957   3.442   4.604  1.0425  1.3774 -0.0098
+  207SOL     OW 2192   0.874   2.714   3.190  0.2379 -0.1199 -0.2590
+  207SOL    HW1 2193   0.815   2.761   3.249 -0.3408 -0.4287 -0.5914
+  207SOL    HW2 2194   0.820   2.690   3.115 -0.5166 -4.6117  1.5345
+  208SOL     OW 2195   5.061   4.202   3.947 -0.0635 -0.0982  0.0664
+  208SOL    HW1 2196   5.022   4.125   3.905  1.1469 -0.4827 -0.3620
+  208SOL    HW2 2197   5.079   4.262   3.874 -1.4363  0.8073  0.4420
+  209SOL     OW 2198   4.683   6.189   3.073  0.4943 -0.3233  0.2110
+  209SOL    HW1 2199   4.693   6.111   3.018 -0.2922  1.1257 -2.0542
+  209SOL    HW2 2200   4.773   6.214   3.095  0.8226 -0.8254 -0.5362
+  210SOL     OW 2201   3.364   2.898   3.534 -0.0089  0.1372  0.5592
+  210SOL    HW1 2202   3.387   2.893   3.627  1.3845  1.5928  0.3002
+  210SOL    HW2 2203   3.343   2.808   3.510  2.3337 -0.7169  1.5886
+  211SOL     OW 2204   3.941   3.065   4.056  0.0498 -0.4371 -0.0718
+  211SOL    HW1 2205   4.004   2.993   4.064 -1.8908 -2.0542  1.2175
+  211SOL    HW2 2206   3.856   3.022   4.064 -1.2528  1.6257 -2.3775
+  212SOL     OW 2207   3.737   2.843   4.052  0.1111 -0.3114  0.0729
+  212SOL    HW1 2208   3.732   2.747   4.049  1.6854 -0.3819 -0.5791
+  212SOL    HW2 2209   3.765   2.868   3.964  0.3609  0.7148  0.4417
+  213SOL     OW 2210   4.871   4.366   4.131 -0.4792  0.1887  0.0369
+  213SOL    HW1 2211   4.789   4.356   4.083  0.3045  0.1653 -1.3387
+  213SOL    HW2 2212   4.902   4.277   4.145 -0.9181  0.1790  0.9795
+  214SOL     OW 2213   4.230   3.609   4.070  0.4705 -0.0331 -0.3875
+  214SOL    HW1 2214   4.324   3.597   4.085  0.4317  1.0613  0.7727
+  214SOL    HW2 2215   4.191   3.524   4.089  0.9469  0.1627  1.4987
+  215SOL     OW 2216   4.883   4.715   3.741  0.1176 -0.1158  0.5782
+  215SOL    HW1 2217   4.871   4.626   3.775 -1.0804 -1.1162 -2.2850
+  215SOL    HW2 2218   4.895   4.769   3.819 -0.8547 -2.5321  2.4724
+  216SOL     OW 2219   2.973   2.551   2.804  0.2362  0.0403 -0.0784
+  216SOL    HW1 2220   3.051   2.600   2.778 -0.6659 -0.1892 -3.5386
+  216SOL    HW2 2221   2.900   2.602   2.767 -1.1028 -0.9279  1.1796
+  217SOL     OW 2222   1.985   3.604   5.083  0.2443 -0.0340 -0.4860
+  217SOL    HW1 2223   2.076   3.635   5.075 -0.2453  1.0803 -1.9263
+  217SOL    HW2 2224   1.937   3.681   5.115 -0.4383 -0.1989 -1.1163
+  218SOL     OW 2225   1.644   3.349   4.296  0.1633 -0.0043  0.1618
+  218SOL    HW1 2226   1.649   3.290   4.370 -0.2910  1.1248  1.1112
+  218SOL    HW2 2227   1.596   3.300   4.229 -0.8430 -0.4605  1.1944
+  219SOL     OW 2228   0.651   2.709   3.665  1.3736  0.6551 -0.5281
+  219SOL    HW1 2229   0.725   2.672   3.713  0.8081 -0.7470 -0.7243
+  219SOL    HW2 2230   0.575   2.690   3.719  0.8369 -0.1904 -1.5694
+  220SOL     OW 2231   5.157   4.294   4.188  0.0910 -0.0283 -0.1111
+  220SOL    HW1 2232   5.087   4.251   4.237 -0.7125 -0.1906 -1.3687
+  220SOL    HW2 2233   5.145   4.263   4.098  2.0132 -0.3463 -0.2753
+  221SOL     OW 2234   6.143   5.321   3.579 -0.1452 -0.2791 -0.0745
+  221SOL    HW1 2235   6.183   5.408   3.586  0.4148 -0.4854 -0.6778
+  221SOL    HW2 2236   6.057   5.331   3.620 -0.0899  0.5625 -0.1563
+  222SOL     OW 2237   4.587   4.481   4.255  0.3198  1.1788 -0.2360
+  222SOL    HW1 2238   4.584   4.481   4.159  1.2550 -0.3073 -0.2830
+  222SOL    HW2 2239   4.667   4.432   4.276 -0.4075  0.6449  1.3245
+  223SOL     OW 2240   1.669   3.530   4.584 -0.1205 -0.5927  0.9186
+  223SOL    HW1 2241   1.682   3.501   4.674 -1.6684  0.5929  1.5377
+  223SOL    HW2 2242   1.580   3.504   4.563  0.4056 -1.3519 -0.4855
+  224SOL     OW 2243   1.764   3.220   4.833 -0.0557  0.0561  0.1131
+  224SOL    HW1 2244   1.812   3.141   4.808 -0.5203  0.1156 -1.0149
+  224SOL    HW2 2245   1.709   3.239   4.757 -1.7572  0.0789  1.3144
+  225SOL     OW 2246   4.489   4.134   4.651 -0.4229  0.0541 -0.3083
+  225SOL    HW1 2247   4.568   4.185   4.666 -0.5041  0.2480 -0.5241
+  225SOL    HW2 2248   4.429   4.195   4.607 -0.4786 -0.2576 -0.6746
+  226SOL     OW 2249   2.837   4.183   5.078 -0.1521 -0.5505 -0.6479
+  226SOL    HW1 2250   2.749   4.169   5.113  0.0869  0.1229  0.2421
+  226SOL    HW2 2251   2.876   4.095   5.076 -0.2124 -0.6097  0.6628
+  227SOL     OW 2252   3.432   7.501   3.932  0.1093 -0.6691  0.1664
+  227SOL    HW1 2253   3.447   7.572   3.870 -0.3807  0.9424  1.8409
+  227SOL    HW2 2254   3.343   7.471   3.915 -0.1605  0.0267  0.3200
+  228SOL     OW 2255   1.960   5.728   3.823 -0.5826 -0.7474  0.0301
+  228SOL    HW1 2256   2.002   5.673   3.757 -1.2406 -1.4394  0.1818
+  228SOL    HW2 2257   1.974   5.682   3.906  0.9648  0.5401  0.4958
+  229SOL     OW 2258   7.237   5.105   3.579 -0.4523 -0.5229 -0.7229
+  229SOL    HW1 2259   7.221   5.010   3.580 -0.8658 -0.4599 -1.1994
+  229SOL    HW2 2260   7.325   5.114   3.541 -0.5063 -0.7050 -0.8948
+  230SOL     OW 2261   5.492   3.447   4.807 -0.3099  0.2564  0.3347
+  230SOL    HW1 2262   5.533   3.504   4.871  0.4695 -0.6633  0.6570
+  230SOL    HW2 2263   5.408   3.422   4.846  0.2116 -0.3927  1.0512
+  231SOL     OW 2264   5.717   4.991   4.233 -0.1277 -0.5143 -0.2732
+  231SOL    HW1 2265   5.668   4.955   4.159 -0.5904 -0.2774 -0.0860
+  231SOL    HW2 2266   5.667   4.962   4.310 -1.2489  1.6151 -0.1582
+  232SOL     OW 2267   5.385   5.580   4.028 -0.2552 -0.2320 -0.2221
+  232SOL    HW1 2268   5.421   5.517   4.089  0.8124 -0.2786 -0.8935
+  232SOL    HW2 2269   5.310   5.535   3.988 -0.1961 -0.6462  0.1293
+  233SOL     OW 2270   5.606   6.285   4.229  0.3355 -0.5134  0.2966
+  233SOL    HW1 2271   5.590   6.199   4.189  0.4610  0.1831 -1.2714
+  233SOL    HW2 2272   5.694   6.308   4.202 -0.5287  1.1246 -1.1720
+  234SOL     OW 2273   2.594   3.150   4.920  0.4046 -0.0821  0.1474
+  234SOL    HW1 2274   2.584   3.059   4.894 -3.1474  0.3211 -0.1466
+  234SOL    HW2 2275   2.603   3.147   5.015  0.2702 -0.7463  0.1411
+  235SOL     OW 2276   7.509   3.440   5.588  0.3842 -0.1630 -0.8358
+  235SOL    HW1 2277   7.479   3.476   5.504  2.3482 -0.5646 -1.7369
+  235SOL    HW2 2278   7.465   3.494   5.654  0.2630  1.3929 -2.1397
+  236SOL     OW 2279   3.752   4.676   5.000 -0.0460 -0.3578  0.0157
+  236SOL    HW1 2280   3.838   4.706   5.028  0.1257 -1.2960  0.5051
+  236SOL    HW2 2281   3.767   4.588   4.965 -0.3711  0.5167 -2.3871
+  237SOL     OW 2282   3.003   2.698   5.344 -0.6496 -0.8571  0.4151
+  237SOL    HW1 2283   2.913   2.693   5.376 -0.4558 -1.8685  0.8185
+  237SOL    HW2 2284   3.031   2.607   5.336  0.1668 -0.5607 -0.2128
+  238SOL     OW 2285   3.104   6.243   4.363 -0.5026 -0.1726 -0.7322
+  238SOL    HW1 2286   3.024   6.217   4.317 -1.6720 -0.3847  1.3385
+  238SOL    HW2 2287   3.105   6.186   4.441  0.4671  1.3792  0.4057
+  239SOL     OW 2288   2.879   3.945   5.161  0.6979 -0.5404 -0.3617
+  239SOL    HW1 2289   2.787   3.922   5.177  1.3694 -3.0779  0.0768
+  239SOL    HW2 2290   2.925   3.914   5.239  2.3383 -2.0517 -1.9080
+  240SOL     OW 2291   5.157   2.827   4.511  0.0084 -0.4187  0.3388
+  240SOL    HW1 2292   5.217   2.898   4.488 -2.0105  1.0037 -0.6484
+  240SOL    HW2 2293   5.211   2.765   4.560  2.0454  1.3041  0.3319
+  241SOL     OW 2294   3.343   2.241   5.006  0.3383 -0.5657 -0.8216
+  241SOL    HW1 2295   3.248   2.228   5.005  0.4536 -2.2298  1.9313
+  241SOL    HW2 2296   3.357   2.311   5.070  1.0622 -1.9899  0.6282
+  242SOL     OW 2297   3.080   2.737   5.911 -0.4960  0.2296 -0.1032
+  242SOL    HW1 2298   3.030   2.781   5.980  2.5923  1.3529  1.5025
+  242SOL    HW2 2299   3.054   2.645   5.919 -1.5511  0.6317  1.3630
+  243SOL     OW 2300   5.042   3.290   5.164 -0.0792 -0.1882 -0.1292
+  243SOL    HW1 2301   5.029   3.374   5.120 -1.0073 -0.4501 -0.3756
+  243SOL    HW2 2302   5.116   3.250   5.118 -1.1411 -0.5282 -1.5927
+  244SOL     OW 2303   3.351   3.211   6.196  0.0200 -0.4210  0.1571
+  244SOL    HW1 2304   3.423   3.235   6.253 -0.5425 -0.5140  0.9106
+  244SOL    HW2 2305   3.313   3.133   6.236 -1.1818  0.2645  0.3655
+  245SOL     OW 2306   4.318   2.858   5.806  0.0054 -0.1666  0.2812
+  245SOL    HW1 2307   4.398   2.807   5.811  0.4224  0.5897  1.7866
+  245SOL    HW2 2308   4.328   2.924   5.875 -0.9186  1.3473 -1.0113
+  246SOL     OW 2309   2.831   6.285   4.403 -0.5678 -0.1893 -0.2790
+  246SOL    HW1 2310   2.778   6.341   4.460  0.2497 -1.6356  1.9771
+  246SOL    HW2 2311   2.785   6.202   4.401 -1.3534  0.2754 -2.9656
+  247SOL     OW 2312   5.129   2.989   6.025  0.1051  0.5765 -0.1449
+  247SOL    HW1 2313   5.138   2.929   6.099  1.0245 -0.8571 -1.3826
+  247SOL    HW2 2314   5.167   2.941   5.951  0.4405  2.5182 -1.2576
+  248SOL     OW 2315   1.640   3.176   4.600 -0.2036  0.0707  0.0412
+  248SOL    HW1 2316   1.725   3.153   4.562 -0.5464  0.5421 -1.0381
+  248SOL    HW2 2317   1.608   3.094   4.638  0.5439 -0.2052  0.0803
+  249SOL     OW 2318   5.300   3.215   5.982 -0.3562  0.1089  0.4855
+  249SOL    HW1 2319   5.338   3.237   6.067  2.7904 -1.9103 -0.3277
+  249SOL    HW2 2320   5.240   3.142   5.999  0.3567 -0.3652  0.9533
+  250SOL     OW 2321   5.779   2.427   5.747 -0.0190 -0.0294  0.0959
+  250SOL    HW1 2322   5.829   2.355   5.786 -1.1584 -0.6302  0.4869
+  250SOL    HW2 2323   5.795   2.501   5.805 -1.8970 -0.9816  1.8968
+  251SOL     OW 2324   3.252   5.815   4.473 -0.6425 -0.4341  0.0306
+  251SOL    HW1 2325   3.278   5.861   4.393 -2.1321 -1.0289 -0.8045
+  251SOL    HW2 2326   3.180   5.867   4.508 -0.8030 -0.8572  0.3283
+  252SOL     OW 2327   4.797   2.151   5.629 -0.1789  0.1753 -0.8529
+  252SOL    HW1 2328   4.841   2.078   5.587  1.6827  0.2402  0.9062
+  252SOL    HW2 2329   4.842   2.229   5.596 -0.4586  0.3840 -0.7505
+  253SOL     OW 2330   4.229   3.891   6.094  0.7527 -0.0617 -0.0313
+  253SOL    HW1 2331   4.227   3.802   6.129  0.0183  0.3435  0.9975
+  253SOL    HW2 2332   4.172   3.888   6.017  1.5700 -0.7268 -0.6071
+  254SOL     OW 2333   4.891   2.370   1.745  0.0519  0.0771  0.3638
+  254SOL    HW1 2334   4.903   2.311   1.671 -2.4795  1.2389 -1.0425
+  254SOL    HW2 2335   4.971   2.423   1.747  0.2314 -0.1182 -1.3772
+  255SOL     OW 2336   2.824   3.520   5.042  0.0125  0.0374 -0.1361
+  255SOL    HW1 2337   2.816   3.542   5.135 -1.0076 -0.9035  0.0026
+  255SOL    HW2 2338   2.862   3.599   5.002  1.1138  0.1909  1.1852
+  256SOL     OW 2339   5.501   5.217   3.651  0.1498 -0.1154 -0.0199
+  256SOL    HW1 2340   5.538   5.217   3.739 -0.9930 -2.8701  0.5164
+  256SOL    HW2 2341   5.432   5.284   3.654  1.1478  0.8828  0.7069
+  257SOL     OW 2342   3.487   3.384   0.958  0.6019 -0.1268 -0.7033
+  257SOL    HW1 2343   3.406   3.350   0.919 -0.5055  0.3858  1.0685
+  257SOL    HW2 2344   3.538   3.417   0.884 -1.7188  1.3996 -1.6712
+  258SOL     OW 2345   5.544   5.984   3.379 -0.5936  0.3915  0.6013
+  258SOL    HW1 2346   5.637   6.007   3.383  0.3217 -2.9255 -0.2994
+  258SOL    HW2 2347   5.514   5.993   3.470  0.8334  0.5046  1.0785
+  259SOL     OW 2348   4.180   5.506   6.199  0.0112  0.0480  0.0215
+  259SOL    HW1 2349   4.092   5.468   6.207  0.1851 -0.4821 -0.5484
+  259SOL    HW2 2350   4.238   5.430   6.194  0.2726  0.3671 -2.2079
+  260SOL     OW 2351   5.322   5.270   4.432 -0.4653  0.5387  0.4004
+  260SOL    HW1 2352   5.311   5.364   4.442 -0.6590  0.8711 -2.5315
+  260SOL    HW2 2353   5.361   5.241   4.515 -0.6738  3.1155  1.4417
+  261SOL     OW 2354   2.325   3.296   5.194  0.1583  0.3472  0.1205
+  261SOL    HW1 2355   2.325   3.212   5.239  0.0991  1.5659  2.4273
+  261SOL    HW2 2356   2.232   3.321   5.190  0.3358  1.1412  1.0136
+  262SOL     OW 2357   3.002   4.900   5.058  0.4540 -0.0247 -0.2285
+  262SOL    HW1 2358   2.996   4.925   4.966  0.8384  1.3992  0.1154
+  262SOL    HW2 2359   2.979   4.979   5.106 -0.5861 -0.9913  0.9137
+  263SOL     OW 2360   4.995   4.894   5.134 -0.3321  0.3572 -0.3581
+  263SOL    HW1 2361   4.989   4.804   5.166  2.0957  0.5697  0.8832
+  263SOL    HW2 2362   4.906   4.928   5.140 -0.8023 -1.1352  1.7310
+  264SOL     OW 2363   3.254   2.833   0.555 -0.0685  0.2575 -0.0837
+  264SOL    HW1 2364   3.205   2.885   0.619  0.7549 -0.1874  0.9361
+  264SOL    HW2 2365   3.256   2.745   0.592 -0.3389 -0.2156 -1.1707
+  265SOL     OW 2366   4.273   2.525   2.694  0.6030  0.2823  0.1178
+  265SOL    HW1 2367   4.288   2.607   2.740 -0.5181  0.6475 -0.1525
+  265SOL    HW2 2368   4.240   2.550   2.608  0.2434 -0.4426  0.0345
+  266SOL     OW 2369   6.075   3.648   1.640 -0.0018  0.2847 -0.2931
+  266SOL    HW1 2370   6.082   3.743   1.630  0.2727  0.1999 -0.9906
+  266SOL    HW2 2371   5.981   3.630   1.639 -0.2062  0.8637  3.1703
+  267SOL     OW 2372   4.359   2.667   3.017  0.0171  0.3773  0.0097
+  267SOL    HW1 2373   4.333   2.594   3.074 -0.8289  1.5722  1.1858
+  267SOL    HW2 2374   4.285   2.680   2.958  0.1517  0.2956 -0.1761
+  268SOL     OW 2375   3.863   6.328   4.059  0.0217 -0.5072 -0.0241
+  268SOL    HW1 2376   3.835   6.239   4.075  1.6386 -1.4446 -2.1213
+  268SOL    HW2 2377   3.928   6.346   4.127  2.3821 -2.2732 -1.7371
+  269SOL     OW 2378   3.057   1.518   2.846  0.4265 -0.2409  0.0733
+  269SOL    HW1 2379   3.050   1.603   2.891  0.0114 -0.1221 -0.2041
+  269SOL    HW2 2380   3.140   1.522   2.798  0.0734  0.2916 -0.5064
+  270SOL     OW 2381   1.949   3.021   4.724 -0.0372  0.2853  0.6487
+  270SOL    HW1 2382   1.917   2.993   4.638  0.0483  0.8827  0.4238
+  270SOL    HW2 2383   2.042   3.035   4.712 -0.0342  0.4213  0.8253
+  271SOL     OW 2384   0.494   5.442   3.704  0.8441  0.3372 -0.2849
+  271SOL    HW1 2385   0.411   5.396   3.698 -0.0135  1.6466  1.1524
+  271SOL    HW2 2386   0.470   5.535   3.714  2.4745  0.7927 -0.4127
+  272SOL     OW 2387   3.835   1.684   3.207  0.1290  0.2598  0.2794
+  272SOL    HW1 2388   3.910   1.626   3.221 -0.4849 -1.4075 -2.9918
+  272SOL    HW2 2389   3.774   1.662   3.278  1.0261 -1.1993  0.6085
+  273SOL     OW 2390   1.943   1.444   3.390 -0.1955  0.6222  0.3249
+  273SOL    HW1 2391   2.003   1.464   3.319  0.2221  0.3990  0.6180
+  273SOL    HW2 2392   1.856   1.453   3.351  0.0451 -1.8726 -0.8384
+  274SOL     OW 2393   3.581   2.097   3.772  0.0617  0.1646 -0.0169
+  274SOL    HW1 2394   3.627   2.174   3.737 -1.1222  0.2414 -1.4637
+  274SOL    HW2 2395   3.521   2.133   3.837  1.4429  0.1466  1.3072
+  275SOL     OW 2396   3.716   3.052   4.700 -0.0053  0.3896  0.1584
+  275SOL    HW1 2397   3.751   3.108   4.630 -0.1523  0.4898  0.1622
+  275SOL    HW2 2398   3.636   3.015   4.662 -0.3622  0.8495  0.4513
+  276SOL     OW 2399   5.029   5.478   3.887 -0.2424 -0.3367  0.2690
+  276SOL    HW1 2400   4.982   5.559   3.868  1.5977  0.5707 -0.6167
+  276SOL    HW2 2401   4.996   5.416   3.822  2.3951  1.3632 -2.9091
+  277SOL     OW 2402   2.331   5.880   4.919 -0.3212  0.0940  0.3103
+  277SOL    HW1 2403   2.270   5.844   4.984 -0.0356 -0.5570  0.2182
+  277SOL    HW2 2404   2.390   5.936   4.969 -0.7741  0.4412  0.4535
+  278SOL     OW 2405   4.718   4.221   4.464  0.2101 -0.5515  0.2607
+  278SOL    HW1 2406   4.655   4.175   4.409 -0.5258  0.4585  0.2355
+  278SOL    HW2 2407   4.789   4.158   4.478 -1.3954 -2.1788  1.3588
+  279SOL     OW 2408   4.309   4.951   5.064 -0.7796 -0.5232 -0.6557
+  279SOL    HW1 2409   4.270   4.930   5.149 -1.0770  0.0368 -0.6461
+  279SOL    HW2 2410   4.385   4.894   5.057 -0.7497 -0.5621 -0.0088
+  280SOL     OW 2411   4.660   4.997   4.817  0.0229 -0.3966  0.2276
+  280SOL    HW1 2412   4.683   4.924   4.875  0.9209 -0.4960 -0.2353
+  280SOL    HW2 2413   4.635   4.955   4.734 -1.4736 -0.2663  0.5951
+  281SOL     OW 2414   4.337   4.333   4.864  0.3617  0.0374 -0.0526
+  281SOL    HW1 2415   4.308   4.420   4.892  0.6043  1.0230 -2.6325
+  281SOL    HW2 2416   4.312   4.329   4.772  0.3857 -2.6506  0.0368
+  282SOL     OW 2417   4.781   0.780   4.481  0.6999  0.3059  0.1240
+  282SOL    HW1 2418   4.836   0.780   4.403  0.3098  0.2899 -0.1545
+  282SOL    HW2 2419   4.839   0.754   4.552  0.2710 -3.2918 -0.7381
+  283SOL     OW 2420   2.682   4.908   4.850 -0.5481 -0.3463 -0.4805
+  283SOL    HW1 2421   2.686   4.931   4.942  0.4982 -0.7452 -0.4121
+  283SOL    HW2 2422   2.767   4.934   4.815 -0.8706 -0.3560 -1.2925
+  284SOL     OW 2423   3.147   5.322   4.850  0.4828  0.6649 -0.0971
+  284SOL    HW1 2424   3.082   5.370   4.901 -0.7312 -1.0050 -0.0462
+  284SOL    HW2 2425   3.192   5.390   4.799  0.5573  2.1629  1.8777
+  285SOL     OW 2426   5.812   3.124   6.438 -0.2756 -0.2310  0.4013
+  285SOL    HW1 2427   5.796   3.096   6.528  2.4517 -1.1447  0.6651
+  285SOL    HW2 2428   5.907   3.140   6.435 -0.8180  3.0495 -1.4120
+  286SOL     OW 2429   2.936   1.290   6.091 -0.3722 -0.3121 -0.9017
+  286SOL    HW1 2430   2.971   1.336   6.167  0.0215  0.7291 -1.6982
+  286SOL    HW2 2431   2.872   1.351   6.054  1.1189  0.1901 -2.7480
+  287SOL     OW 2432   4.096   2.509   5.580  0.2187 -0.1094 -0.1703
+  287SOL    HW1 2433   4.085   2.528   5.487 -0.7244  1.3595  0.2240
+  287SOL    HW2 2434   4.185   2.474   5.587  0.3040 -0.2106 -1.6096
+  288SOL     OW 2435   2.614   5.176   4.595 -0.1124 -0.5951  0.7311
+  288SOL    HW1 2436   2.583   5.229   4.522 -0.8579 -1.4243  0.4272
+  288SOL    HW2 2437   2.709   5.173   4.584 -0.0719  0.6189  0.7276
+  289SOL     OW 2438   3.084   3.421   4.748  0.0788 -0.3761 -0.0088
+  289SOL    HW1 2439   3.079   3.355   4.816 -1.4791  0.3039  0.5721
+  289SOL    HW2 2440   3.117   3.499   4.792  0.7441 -0.4262 -0.4181
+  290SOL     OW 2441   1.946   4.276   4.441 -0.0329  0.1081  0.0646
+  290SOL    HW1 2442   1.906   4.280   4.527  0.8359  0.6258  0.4468
+  290SOL    HW2 2443   1.947   4.367   4.411  0.7041  0.0724 -0.0157
+  291SOL     OW 2444   3.305   3.136   5.945 -0.3367 -0.2092 -0.3506
+  291SOL    HW1 2445   3.300   3.040   5.944 -0.1551 -0.2220 -0.0760
+  291SOL    HW2 2446   3.311   3.158   6.038 -0.5074  0.0749 -0.4095
+  292SOL     OW 2447   2.903   7.316   5.189  0.1611  0.0065  0.5120
+  292SOL    HW1 2448   2.830   7.377   5.187  1.1001  1.1366  0.5312
+  292SOL    HW2 2449   2.868   7.239   5.235 -1.3696  0.0518 -0.5424
+  293SOL     OW 2450   3.363   2.544   5.792 -0.1085  0.2035 -0.7290
+  293SOL    HW1 2451   3.417   2.466   5.780  1.3521  1.5004 -3.1769
+  293SOL    HW2 2452   3.359   2.557   5.887  3.6327 -0.1653 -0.4373
+  294SOL     OW 2453   4.314   4.089   0.619 -0.0140  0.2719 -0.0301
+  294SOL    HW1 2454   4.383   4.028   0.594 -0.4133 -0.1383 -0.1306
+  294SOL    HW2 2455   4.238   4.034   0.636  0.0211  0.6131  1.2740
+  295SOL     OW 2456   4.148   4.144   2.182 -0.5412 -0.7285 -0.2247
+  295SOL    HW1 2457   4.113   4.232   2.172 -0.4474 -0.8789 -2.0646
+  295SOL    HW2 2458   4.242   4.153   2.172 -0.5844 -1.1085 -1.0653
+  296SOL     OW 2459   5.637   3.170   2.481 -0.5629 -0.0325  0.3939
+  296SOL    HW1 2460   5.552   3.213   2.473 -0.8676 -0.7402 -0.3162
+  296SOL    HW2 2461   5.616   3.076   2.486  0.1732 -0.2160  0.1639
+  297SOL     OW 2462   0.689   1.817   3.051  0.1112 -0.1047 -0.1648
+  297SOL    HW1 2463   0.756   1.880   3.077 -1.5022  0.5214  2.7689
+  297SOL    HW2 2464   0.738   1.743   3.015  2.2929  0.8792  0.7020
+  298SOL     OW 2465   6.813   3.072   4.168  0.6605 -0.0114 -0.1216
+  298SOL    HW1 2466   6.802   3.096   4.076  0.5624 -0.7827 -0.3114
+  298SOL    HW2 2467   6.752   2.999   4.181  0.0893  0.6208  0.7633
+  299SOL     OW 2468   1.656   2.110   4.926 -0.3953 -0.2849 -0.0959
+  299SOL    HW1 2469   1.747   2.098   4.952 -0.5334 -3.2898 -0.8208
+  299SOL    HW2 2470   1.606   2.081   5.002 -0.7575 -0.8041 -0.5346
+  300SOL     OW 2471   1.589   2.591   4.774  0.2342  0.0237  0.0572
+  300SOL    HW1 2472   1.538   2.634   4.706  0.3874  1.3739  0.7935
+  300SOL    HW2 2473   1.674   2.575   4.732  0.3994  1.0386 -0.0056
+  301SOL     OW 2474   5.680   6.133   4.817  0.2626 -0.0764  0.0322
+  301SOL    HW1 2475   5.713   6.217   4.785 -0.7738  0.3956  0.1600
+  301SOL    HW2 2476   5.727   6.118   4.898  1.2577 -0.1646 -0.5556
+  302SOL     OW 2477   5.013   2.646   1.736 -0.2243  0.0380  0.1835
+  302SOL    HW1 2478   4.994   2.629   1.828  0.9650 -0.6854  0.3128
+  302SOL    HW2 2479   5.104   2.616   1.725 -0.4181 -0.0458 -1.2587
+  303SOL     OW 2480   7.014   2.958   4.552 -0.9495  0.5647 -0.0308
+  303SOL    HW1 2481   6.921   2.979   4.562 -0.9928 -0.7318  2.6372
+  303SOL    HW2 2482   7.022   2.868   4.582  0.8468 -0.0770 -2.2614
+  304SOL     OW 2483   2.603   6.239   3.236 -0.0056  0.1343  0.3187
+  304SOL    HW1 2484   2.599   6.148   3.265  1.1618  0.8097  2.6570
+  304SOL    HW2 2485   2.600   6.233   3.140  2.6588 -2.5103  0.3319
+  305SOL     OW 2486   5.003   6.096   1.980 -0.1879  0.2855  0.2204
+  305SOL    HW1 2487   4.966   6.081   1.893 -2.1598  0.6153  0.9643
+  305SOL    HW2 2488   5.004   6.191   1.989 -1.6447  0.2202  1.2187
+  306SOL     OW 2489   3.455   6.162   6.722  0.0552 -0.1291  0.3243
+  306SOL    HW1 2490   3.513   6.232   6.752  0.5192 -0.2174 -0.3685
+  306SOL    HW2 2491   3.382   6.208   6.681 -0.8907  0.0132  2.1060
+  307SOL     OW 2492   2.898   2.540   6.616  0.7357 -0.1098  0.1761
+  307SOL    HW1 2493   2.882   2.524   6.523  1.6172 -0.1448  0.0234
+  307SOL    HW2 2494   2.885   2.634   6.627  1.6484  0.0624 -0.1962
+  308SOL     OW 2495   4.292   3.261   1.401  0.3357 -0.1942  0.1424
+  308SOL    HW1 2496   4.305   3.343   1.448 -2.3371 -0.8874  2.2085
+  308SOL    HW2 2497   4.272   3.288   1.311  0.0108  1.3876  0.6789
+  309SOL     OW 2498   5.327   5.523   4.462  0.5099  0.0006 -0.0280
+  309SOL    HW1 2499   5.403   5.570   4.498 -1.0371  1.6934  1.1749
+  309SOL    HW2 2500   5.308   5.569   4.380 -0.9104  1.4363  1.0731
+  310SOL     OW 2501   1.953   3.664   3.771 -0.0332  0.5534  0.0541
+  310SOL    HW1 2502   1.978   3.738   3.717  0.3715  0.1623 -0.2919
+  310SOL    HW2 2503   1.923   3.597   3.709  0.6379  0.0263  0.2950
+  311SOL     OW 2504   6.491   1.847   4.897 -0.1595  0.1348  0.1862
+  311SOL    HW1 2505   6.562   1.889   4.848 -0.5759  0.7687  0.1098
+  311SOL    HW2 2506   6.523   1.759   4.915  0.1008 -0.0190 -0.9953
+  312SOL     OW 2507   4.445   4.793   5.660 -0.0913  0.4085  0.3602
+  312SOL    HW1 2508   4.480   4.724   5.604  2.5963  2.2049 -0.2121
+  312SOL    HW2 2509   4.471   4.767   5.748  1.4482  0.9632  0.0854
+  313SOL     OW 2510   5.212   4.321   6.698 -0.1035  0.0823  0.0649
+  313SOL    HW1 2511   5.218   4.415   6.681 -1.0419  0.0812 -0.2673
+  313SOL    HW2 2512   5.120   4.299   6.686 -0.1228 -0.6414  1.4141
+  314SOL     OW 2513   5.716   5.408   5.480 -0.3515 -0.3985 -0.3847
+  314SOL    HW1 2514   5.793   5.362   5.447 -0.2846  0.5099 -1.5348
+  314SOL    HW2 2515   5.738   5.429   5.571  0.3628 -0.9838 -0.4203
+  315SOL     OW 2516   0.499   1.753   7.830 -0.0070 -0.0106  0.1994
+  315SOL    HW1 2517   0.493   1.848   7.833 -1.0309 -0.0106 -1.2853
+  315SOL    HW2 2518   0.570   1.735   7.768 -0.0179 -0.2194  0.2453
+  316SOL     OW 2519   1.235   7.586   0.590  0.2995 -0.2119 -0.1477
+  316SOL    HW1 2520   1.202   7.562   0.677  0.8774 -0.4953  0.0002
+  316SOL    HW2 2521   1.313   7.532   0.579  0.7877  0.5379 -0.4304
+  317SOL     OW 2522   1.265   1.830   0.921  0.0171 -0.1112  0.1798
+  317SOL    HW1 2523   1.294   1.859   0.835  0.6127  0.9864  0.7379
+  317SOL    HW2 2524   1.300   1.896   0.982 -3.5009  1.2499  0.8964
+  318SOL     OW 2525   7.259   1.298   1.987 -0.0884 -0.2188  0.0643
+  318SOL    HW1 2526   7.304   1.368   1.939  0.3759 -0.1317  0.6154
+  318SOL    HW2 2527   7.319   1.277   2.059 -1.1549  0.2110  1.0811
+  319SOL     OW 2528   1.149   1.950   7.588 -0.3579  0.7947 -0.4367
+  319SOL    HW1 2529   1.201   1.882   7.544 -0.4758 -0.9228  1.9945
+  319SOL    HW2 2530   1.193   2.032   7.566  0.2621 -0.1016 -2.7608
+  320SOL     OW 2531   2.244   1.798   1.200  0.4401 -0.3717  0.0718
+  320SOL    HW1 2532   2.316   1.807   1.263  0.4004 -0.5349  0.1411
+  320SOL    HW2 2533   2.285   1.763   1.122  0.4578 -0.3466  0.0700
+  321SOL     OW 2534   3.303   1.248   1.735  0.4883 -0.3613 -0.2557
+  321SOL    HW1 2535   3.330   1.157   1.742  1.0871 -0.3562 -2.2642
+  321SOL    HW2 2536   3.334   1.276   1.649 -0.7815  1.3634 -0.1855
+  322SOL     OW 2537   1.076   1.832   2.246  0.2540 -0.3057  1.0652
+  322SOL    HW1 2538   1.144   1.795   2.190  1.2724 -1.5421  3.0703
+  322SOL    HW2 2539   1.117   1.907   2.287 -0.0755 -0.1754  1.1582
+  323SOL     OW 2540   0.530   1.652   0.593 -0.4126 -0.4129  0.0935
+  323SOL    HW1 2541   0.618   1.690   0.603 -0.1728 -0.8862 -0.1761
+  323SOL    HW2 2542   0.547   1.562   0.567 -0.9582 -1.5273  3.4765
+  324SOL     OW 2543   1.451   7.402   0.319 -0.2111 -0.1150  0.0077
+  324SOL    HW1 2544   1.513   7.342   0.361  1.8260  1.6187 -0.4135
+  324SOL    HW2 2545   1.414   7.351   0.247  2.6265 -0.4277 -1.2990
+  325SOL     OW 2546   0.783   0.824   2.494  0.1457  0.4595 -0.3353
+  325SOL    HW1 2547   0.768   0.896   2.433  0.1669  2.4858  1.9642
+  325SOL    HW2 2548   0.848   0.857   2.556 -1.1624 -0.8397  1.8369
+  326SOL     OW 2549   1.119   7.500   3.002 -0.0284  0.1999 -0.5012
+  326SOL    HW1 2550   1.031   7.512   2.965 -0.6381  0.3951  0.9747
+  326SOL    HW2 2551   1.153   7.423   2.957 -1.2387 -0.2991 -0.5808
+  327SOL     OW 2552   1.946   0.624   0.326 -0.8793  0.4175  0.0059
+  327SOL    HW1 2553   1.916   0.703   0.371 -0.3032 -0.4485  1.9483
+  327SOL    HW2 2554   2.041   0.637   0.315 -0.8811  0.2541 -0.2122
+  328SOL     OW 2555   7.613   0.765   2.358 -0.0571  0.7453 -0.3575
+  328SOL    HW1 2556   7.670   0.813   2.298 -1.6825  0.7454 -1.9784
+  328SOL    HW2 2557   7.609   0.677   2.322 -0.3578  0.5014  0.2633
+  329SOL     OW 2558   1.757   7.623   1.633  0.1688  0.5872 -0.0873
+  329SOL    HW1 2559   1.694   7.693   1.652 -0.2072  0.3963 -0.6382
+  329SOL    HW2 2560   1.821   7.629   1.704 -1.6089 -0.5936  1.6650
+  330SOL     OW 2561   7.007   2.004   1.855 -0.0833 -0.4540  0.2214
+  330SOL    HW1 2562   6.962   2.016   1.938  0.6365  2.1770  0.2765
+  330SOL    HW2 2563   6.936   1.995   1.791 -0.6672 -0.5357  0.8683
+  331SOL     OW 2564   1.287   1.158   2.937  0.2500 -0.5164  0.1035
+  331SOL    HW1 2565   1.318   1.101   3.007 -1.0270 -1.5395 -0.1380
+  331SOL    HW2 2566   1.252   1.098   2.871 -1.4380  0.5503  0.0018
+  332SOL     OW 2567   2.259   2.478   0.931 -0.1542  0.0242  0.3200
+  332SOL    HW1 2568   2.311   2.399   0.920 -0.5786 -0.1096 -0.8252
+  332SOL    HW2 2569   2.180   2.449   0.977 -1.1394 -0.5834 -1.6821
+  333SOL     OW 2570   7.931   1.921   1.436  0.0328  0.2799  0.7378
+  333SOL    HW1 2571   7.872   1.965   1.497 -0.7785 -0.1222  0.2609
+  333SOL    HW2 2572   7.879   1.848   1.401  1.9446 -2.2834  2.9937
+  334SOL     OW 2573   0.082   1.891   2.643  1.2149 -0.3599  0.1143
+  334SOL    HW1 2574   0.174   1.914   2.630  1.3311 -1.6340 -1.6410
+  334SOL    HW2 2575   0.033   1.967   2.611  1.6452  0.2064  0.7902
+  335SOL     OW 2576   1.780   2.204   1.501  0.3451  0.3304 -0.7163
+  335SOL    HW1 2577   1.862   2.248   1.480  1.6743 -1.6462  0.1385
+  335SOL    HW2 2578   1.754   2.240   1.586  1.1088 -0.1056 -0.2961
+  336SOL     OW 2579   1.785   7.966   1.925 -0.3148  0.3280 -0.2819
+  336SOL    HW1 2580   1.794   8.060   1.941 -0.5467  0.0883  1.3642
+  336SOL    HW2 2581   1.697   7.945   1.955 -0.1513 -0.4744 -0.3612
+  337SOL     OW 2582   1.756   0.349   0.057 -0.3615 -0.1797 -0.2734
+  337SOL    HW1 2583   1.690   0.395   0.005 -0.0428 -0.5932 -1.0508
+  337SOL    HW2 2584   1.735   0.256   0.046 -0.7924 -0.2423  1.0054
+  338SOL     OW 2585   2.667   2.174   7.860 -0.2669 -0.0212  0.2549
+  338SOL    HW1 2586   2.646   2.225   7.782  0.8843 -1.5124 -1.0736
+  338SOL    HW2 2587   2.596   2.109   7.866 -0.3859  0.1291  0.4927
+  339SOL     OW 2588   0.445   1.292   7.974 -0.4997  0.0696 -0.2548
+  339SOL    HW1 2589   0.466   1.346   8.050 -0.6530 -0.8639  0.4697
+  339SOL    HW2 2590   0.406   1.213   8.012 -1.0552 -0.1801 -1.3378
+  340SOL     OW 2591   1.891   1.622   0.928  0.3918 -0.3276  0.1510
+  340SOL    HW1 2592   1.802   1.657   0.941  0.8416  1.1845 -0.7296
+  340SOL    HW2 2593   1.918   1.592   1.015 -1.2582 -1.5110  0.2926
+  341SOL     OW 2594   1.872   1.373   1.552  0.2427  0.0331 -0.0344
+  341SOL    HW1 2595   1.826   1.445   1.508  0.3396 -0.2926 -0.6679
+  341SOL    HW2 2596   1.815   1.351   1.625 -0.1328  0.2922 -0.2417
+  342SOL     OW 2597   7.680   7.586   2.718 -0.3306 -0.0714  0.4312
+  342SOL    HW1 2598   7.774   7.597   2.733 -0.4626 -1.6490  2.5796
+  342SOL    HW2 2599   7.642   7.671   2.741  0.3707  0.0049  1.3334
+  343SOL     OW 2600   1.942   3.169   0.781 -0.1582  0.1035 -0.6447
+  343SOL    HW1 2601   1.903   3.210   0.859  0.9555 -1.0059  0.5180
+  343SOL    HW2 2602   1.982   3.242   0.733 -0.8555  0.7940 -0.1818
+  344SOL     OW 2603   2.574   1.002   2.635  0.6882  0.0918  0.6364
+  344SOL    HW1 2604   2.645   0.963   2.584  0.5410  0.8392 -0.1561
+  344SOL    HW2 2605   2.611   1.085   2.667 -0.2131  1.0874 -0.8255
+  345SOL     OW 2606   0.323   7.469   1.365 -0.1498 -0.0608 -0.3189
+  345SOL    HW1 2607   0.270   7.544   1.391 -2.2600 -2.0359  1.3636
+  345SOL    HW2 2608   0.414   7.499   1.374 -0.9160  1.6952  2.1531
+  346SOL     OW 2609   7.361   1.088   0.911  0.4173  0.3892 -0.0870
+  346SOL    HW1 2610   7.302   1.103   0.837  0.3186 -1.6955 -0.4603
+  346SOL    HW2 2611   7.440   1.051   0.872  0.5875 -0.1792  0.7753
+  347SOL     OW 2612   1.495   1.938   7.166  0.5931 -0.2805 -0.2620
+  347SOL    HW1 2613   1.527   1.898   7.246  1.7897  0.3871 -0.3980
+  347SOL    HW2 2614   1.503   2.032   7.181 -0.9713 -0.1018 -0.4373
+  348SOL     OW 2615   1.653   2.401   0.875  0.9867 -0.2604 -0.2129
+  348SOL    HW1 2616   1.674   2.412   0.782  0.1315 -0.5311 -0.4405
+  348SOL    HW2 2617   1.640   2.490   0.907  1.1173 -0.1776 -0.3834
+  349SOL     OW 2618   0.325   0.126   1.045  0.5347 -0.2218 -0.0373
+  349SOL    HW1 2619   0.346   0.200   1.102  0.5938 -0.3389  0.0926
+  349SOL    HW2 2620   0.329   0.163   0.956 -0.1431  0.0963  0.0656
+  350SOL     OW 2621   2.925   1.295   6.890  0.4199  1.0173 -0.5390
+  350SOL    HW1 2622   2.952   1.378   6.930  1.6274  0.7781 -0.8300
+  350SOL    HW2 2623   2.861   1.321   6.823  0.3064  1.6551 -0.1899
+  351SOL     OW 2624   7.188   1.947   7.901  0.7535  0.5366  0.1025
+  351SOL    HW1 2625   7.280   1.972   7.906  1.0898 -0.7661  0.7497
+  351SOL    HW2 2626   7.179   1.876   7.965 -0.6252  0.4424 -0.1788
+  352SOL     OW 2627   1.862   1.111   0.859 -0.4000 -0.3239 -0.1349
+  352SOL    HW1 2628   1.899   1.032   0.819  0.8910 -0.0802  0.5722
+  352SOL    HW2 2629   1.909   1.121   0.942 -1.6448  0.3191  0.5133
+  353SOL     OW 2630   1.163   1.382   0.805 -0.6787 -0.0755  0.3722
+  353SOL    HW1 2631   1.163   1.290   0.780 -1.5741 -0.0593  0.3102
+  353SOL    HW2 2632   1.131   1.383   0.895  1.2388 -0.0011  1.0863
+  354SOL     OW 2633   1.258   3.228   7.781 -0.1982  0.5681 -0.9829
+  354SOL    HW1 2634   1.281   3.192   7.867  1.1524  1.3028 -1.0166
+  354SOL    HW2 2635   1.212   3.309   7.800 -0.5632  0.3482 -0.9388
+  355SOL     OW 2636   6.705   1.513   2.120 -0.0498 -0.3224 -0.3742
+  355SOL    HW1 2637   6.689   1.598   2.080 -1.0391  0.0821  0.8504
+  355SOL    HW2 2638   6.784   1.480   2.076  1.5629  2.1256  0.5770
+  356SOL     OW 2639   2.225   7.584   1.265  0.3512  0.1417 -0.3948
+  356SOL    HW1 2640   2.134   7.580   1.294  0.6012  0.2697  0.4226
+  356SOL    HW2 2641   2.228   7.661   1.208 -0.3139 -0.5528 -1.3778
+  357SOL     OW 2642   2.291   1.375   2.249 -0.3735  0.5782  0.4422
+  357SOL    HW1 2643   2.345   1.301   2.220  1.0377  0.6927  2.6595
+  357SOL    HW2 2644   2.277   1.359   2.342 -2.4908  1.6316  0.3326
+  358SOL     OW 2645   1.598   0.403   0.982 -0.3035 -0.1079 -0.3815
+  358SOL    HW1 2646   1.564   0.365   1.063  1.3640 -0.9945 -0.0625
+  358SOL    HW2 2647   1.538   0.372   0.914 -1.2393 -0.0329  0.4074
+  359SOL     OW 2648   2.729   0.521   7.769  0.2303  0.3705  0.5828
+  359SOL    HW1 2649   2.783   0.469   7.827  1.8683 -0.2105 -1.3955
+  359SOL    HW2 2650   2.668   0.459   7.730  0.7654  0.2863 -0.1462
+  360SOL     OW 2651   1.025   0.386   0.613  0.0544  0.2043  0.1047
+  360SOL    HW1 2652   0.974   0.454   0.570  1.5498 -0.7685 -3.3197
+  360SOL    HW2 2653   0.968   0.310   0.615  0.2516  0.0369 -0.8132
+  361SOL     OW 2654   7.936   7.857   2.238  0.4116 -0.0564  0.1925
+  361SOL    HW1 2655   7.852   7.828   2.274  0.3313 -0.5074 -0.3466
+  361SOL    HW2 2656   7.925   7.951   2.223 -0.1484 -0.1950 -0.2877
+  362SOL     OW 2657   1.983   6.365   0.336  0.1334  0.2871  0.3586
+  362SOL    HW1 2658   2.058   6.411   0.297 -0.2036  1.5430  1.1707
+  362SOL    HW2 2659   1.922   6.434   0.360 -0.8405 -0.6628  0.6818
+  363SOL     OW 2660   3.285   5.364   1.864  0.0838  0.0872  0.3647
+  363SOL    HW1 2661   3.312   5.440   1.812 -0.3018 -0.9291 -1.3641
+  363SOL    HW2 2662   3.360   5.304   1.858 -0.7444 -0.8684 -0.7171
+  364SOL     OW 2663   2.723   1.380   6.728  0.1386 -0.1896 -0.0742
+  364SOL    HW1 2664   2.736   1.355   6.637 -0.4927 -0.3829 -0.1148
+  364SOL    HW2 2665   2.678   1.305   6.767 -0.7423  0.4092  0.0796
+  365SOL     OW 2666   2.059   1.669   0.703  0.6105 -0.2987 -0.3484
+  365SOL    HW1 2667   2.022   1.647   0.788 -0.2126 -0.6702 -0.8012
+  365SOL    HW2 2668   2.107   1.589   0.677  1.9398  0.2575  0.3384
+  366SOL     OW 2669   7.362   0.703   1.071 -0.3902 -0.4462 -0.5145
+  366SOL    HW1 2670   7.375   0.786   1.024 -1.7561 -0.4710 -0.9452
+  366SOL    HW2 2671   7.271   0.680   1.056 -0.7719 -0.6446  1.8720
+  367SOL     OW 2672   0.434   0.658   2.579 -0.6777  0.1628  0.2593
+  367SOL    HW1 2673   0.405   0.709   2.655  0.2523 -0.7049  1.2284
+  367SOL    HW2 2674   0.364   0.667   2.515 -0.7668  2.1907  0.6181
+  368SOL     OW 2675   2.747   0.015   1.452  0.5827  0.6133  0.1883
+  368SOL    HW1 2676   2.664   0.060   1.442  0.3156 -0.2630 -1.8817
+  368SOL    HW2 2677   2.799   0.072   1.508 -1.2248  1.4035  1.0908
+  369SOL     OW 2678   2.213   2.096   1.157 -0.2461 -0.1729 -0.4717
+  369SOL    HW1 2679   2.123   2.116   1.130 -0.0403  1.7007  0.1203
+  369SOL    HW2 2680   2.217   2.001   1.158 -2.9330 -0.3207  1.7334
+  370SOL     OW 2681   6.635   1.383   1.621  0.3438 -0.1796 -0.1941
+  370SOL    HW1 2682   6.589   1.392   1.538  0.5663  0.7254 -0.2322
+  370SOL    HW2 2683   6.718   1.430   1.608  1.5950 -2.3909 -0.3527
+  371SOL     OW 2684   0.669   1.162   0.179  0.2998 -0.8605 -0.3195
+  371SOL    HW1 2685   0.582   1.123   0.181 -1.0945  2.0358 -2.0663
+  371SOL    HW2 2686   0.666   1.233   0.243  1.0721 -0.1940 -0.9964
+  372SOL     OW 2687   0.367   1.560   1.101  0.4965  0.1202 -0.1275
+  372SOL    HW1 2688   0.354   1.653   1.121 -1.2751  0.4119 -2.4182
+  372SOL    HW2 2689   0.356   1.516   1.185 -0.0056  1.8613  0.7521
+  373SOL     OW 2690   1.340   0.142   1.031  0.4263 -0.2932 -0.1802
+  373SOL    HW1 2691   1.405   0.093   1.081 -0.4013 -1.5497 -0.2957
+  373SOL    HW2 2692   1.264   0.083   1.026 -1.1124  1.5264  0.8522
+  374SOL     OW 2693   7.786   2.439   1.923 -0.3085 -0.5102 -0.8278
+  374SOL    HW1 2694   7.729   2.375   1.879 -0.6457 -0.5422 -0.3468
+  374SOL    HW2 2695   7.776   2.421   2.016 -0.7915  0.5657 -0.6586
+  375SOL     OW 2696   1.211   7.806   1.264 -0.6882 -0.5763  0.1440
+  375SOL    HW1 2697   1.183   7.893   1.235  3.3142  1.1831  1.1799
+  375SOL    HW2 2698   1.236   7.760   1.184  1.4466  0.9196 -0.1067
+  376SOL     OW 2699   1.049   1.699   0.497  0.0419  0.0670  0.0827
+  376SOL    HW1 2700   1.021   1.788   0.519 -1.3464 -0.6676  1.3771
+  376SOL    HW2 2701   1.103   1.671   0.571  0.5602 -0.1353 -0.3666
+  377SOL     OW 2702   0.447   0.955   0.542 -0.4105  0.0795 -0.0015
+  377SOL    HW1 2703   0.476   0.917   0.459 -1.5301 -1.8152  0.4635
+  377SOL    HW2 2704   0.355   0.977   0.527 -0.4779  0.1918  0.5916
+  378SOL     OW 2705   0.794   1.198   2.255 -0.0206  0.2485  0.1782
+  378SOL    HW1 2706   0.793   1.238   2.342 -1.2674 -1.0501  0.7797
+  378SOL    HW2 2707   0.887   1.182   2.236  0.3091  1.2612  0.9193
+  379SOL     OW 2708   2.175   2.999   0.144 -0.2927  0.2059  0.3821
+  379SOL    HW1 2709   2.209   3.059   0.077  0.3952 -1.4088 -0.7309
+  379SOL    HW2 2710   2.248   2.941   0.163 -1.2161 -0.8173  0.8427
+  380SOL     OW 2711   0.301   2.314   0.816  0.3501  0.1435 -0.2963
+  380SOL    HW1 2712   0.319   2.242   0.875  2.1562  0.0006 -0.9572
+  380SOL    HW2 2713   0.238   2.369   0.862  0.7610 -0.6234  1.2100
+  381SOL     OW 2714   0.185   7.136   1.221  0.1908  0.6404 -0.2505
+  381SOL    HW1 2715   0.093   7.160   1.211 -0.0226  0.4892  1.1965
+  381SOL    HW2 2716   0.233   7.217   1.202 -0.4509  1.8488  2.9510
+  382SOL     OW 2717   7.764   0.175   0.389  0.1776 -0.3247  0.0710
+  382SOL    HW1 2718   7.761   0.092   0.340  2.2239  1.2573 -2.8506
+  382SOL    HW2 2719   7.685   0.222   0.362  0.1493 -0.3940  0.0330
+  383SOL     OW 2720   7.297   1.139   3.229  0.0329  0.1365  0.4943
+  383SOL    HW1 2721   7.297   1.066   3.168 -1.6681 -2.6687  3.6977
+  383SOL    HW2 2722   7.240   1.204   3.187  0.0346 -1.1185 -1.5332
+  384SOL     OW 2723   0.473   0.872   2.180 -0.0986 -0.3481 -0.3314
+  384SOL    HW1 2724   0.380   0.854   2.194 -0.4397  0.5126 -1.4082
+  384SOL    HW2 2725   0.492   0.833   2.094  0.5369 -0.5279 -0.1125
+  385SOL     OW 2726   1.462   0.530   0.706 -0.1064  0.1742  0.0653
+  385SOL    HW1 2727   1.429   0.449   0.744 -1.1485  0.2728 -0.6408
+  385SOL    HW2 2728   1.524   0.502   0.639 -0.6698 -0.0312 -0.3623
+  386SOL     OW 2729   0.005   1.786   0.761  0.4012 -0.3216  0.4913
+  386SOL    HW1 2730   0.098   1.807   0.772  0.2394  0.1075  1.0407
+  386SOL    HW2 2731  -0.015   1.727   0.834 -0.0576  0.5606  1.0905
+  387SOL     OW 2732   7.771   1.837   0.647  0.2513 -0.3586 -0.3303
+  387SOL    HW1 2733   7.860   1.820   0.677  0.0898  0.1869  0.4631
+  387SOL    HW2 2734   7.751   1.925   0.678 -1.2668 -1.2034  1.1525
+  388SOL     OW 2735   1.227   0.055   4.419 -0.6817 -1.2053  0.1985
+  388SOL    HW1 2736   1.317   0.025   4.413  0.2106  1.6298 -1.7479
+  388SOL    HW2 2737   1.181   0.008   4.350  0.2251  0.2262 -1.4252
+  389SOL     OW 2738   0.655   6.115   0.052  0.4616  0.0191  0.2879
+  389SOL    HW1 2739   0.737   6.115   0.003  1.0008  0.9666  1.1804
+  389SOL    HW2 2740   0.601   6.181   0.009  0.8811  0.7460  0.8601
+  390SOL     OW 2741   2.665   1.293   7.428  0.1539  0.0946 -0.1534
+  390SOL    HW1 2742   2.716   1.296   7.347  1.6085 -0.9759  0.6964
+  390SOL    HW2 2743   2.726   1.321   7.496 -0.7375 -0.0501  0.7159
+  391SOL     OW 2744   1.708   0.738   0.595  0.0821  0.5599 -0.0607
+  391SOL    HW1 2745   1.642   0.739   0.663  0.6925  1.3870  0.5324
+  391SOL    HW2 2746   1.784   0.696   0.635  0.5654  1.3776 -0.1007
+  392SOL     OW 2747   2.125   2.176   0.833 -0.1328 -0.1164  0.1131
+  392SOL    HW1 2748   2.107   2.083   0.845  0.1411  0.2636  4.3547
+  392SOL    HW2 2749   2.041   2.219   0.849  0.8175  0.6099  3.7864
+  393SOL     OW 2750   0.872   2.770   1.633  0.0927 -0.2583  0.5023
+  393SOL    HW1 2751   0.845   2.789   1.723 -1.0263  3.1278 -0.4539
+  393SOL    HW2 2752   0.793   2.734   1.591 -0.5421  1.7102 -0.0643
+  394SOL     OW 2753   1.887   2.530   1.601  0.3661  0.1376  0.6952
+  394SOL    HW1 2754   1.862   2.458   1.658  0.7347  0.0723  0.7753
+  394SOL    HW2 2755   1.981   2.542   1.616  0.8832 -1.1413 -1.2772
+  395SOL     OW 2756   0.629   0.559   0.944 -0.4435 -0.0592  0.6017
+  395SOL    HW1 2757   0.584   0.643   0.955 -2.0326 -0.8268  0.1727
+  395SOL    HW2 2758   0.624   0.541   0.850  0.4372 -0.3217  0.6080
+  396SOL     OW 2759   1.328   0.710   0.079 -0.2975  0.3952  0.1673
+  396SOL    HW1 2760   1.268   0.710   0.153 -0.2750  0.1913  0.1872
+  396SOL    HW2 2761   1.406   0.754   0.110 -0.8775  1.7134 -0.2210
+  397SOL     OW 2762   7.485   2.458   2.454  0.1929  0.7305  0.2233
+  397SOL    HW1 2763   7.392   2.434   2.446  0.6181 -0.6697 -0.7392
+  397SOL    HW2 2764   7.486   2.530   2.516 -1.4305 -0.0396  1.1693
+  398SOL     OW 2765   0.830   0.883   2.197  0.5452  0.7161  0.0201
+  398SOL    HW1 2766   0.842   0.889   2.102  0.3714  1.7481  0.0579
+  398SOL    HW2 2767   0.918   0.887   2.233  0.4926  2.1778 -0.0068
+  399SOL     OW 2768   2.789   1.919   7.734 -0.2532 -0.1545 -0.6171
+  399SOL    HW1 2769   2.717   1.897   7.674 -1.9700  1.6314  0.6883
+  399SOL    HW2 2770   2.761   2.002   7.774  3.3982  1.5584 -1.3948
+  400SOL     OW 2771   0.571   7.158   0.098  0.4080 -0.1851  0.0401
+  400SOL    HW1 2772   0.595   7.123   0.184 -1.9280 -0.0094  0.8131
+  400SOL    HW2 2773   0.629   7.232   0.085  0.9195 -0.3304  1.3925
+  401SOL     OW 2774   2.355   0.502   1.574 -0.2679  0.3355  0.1846
+  401SOL    HW1 2775   2.279   0.444   1.577  0.1669 -0.1551  2.0154
+  401SOL    HW2 2776   2.342   0.564   1.645  0.0351  1.5654 -0.7979
+  402SOL     OW 2777   3.273   0.179   0.870  0.3066 -0.0749 -0.3102
+  402SOL    HW1 2778   3.263   0.273   0.854 -0.0055  0.2670  1.7893
+  402SOL    HW2 2779   3.185   0.150   0.893  0.5731 -0.6981 -0.0776
+  403SOL     OW 2780   3.803   1.211   6.817  0.1684  0.3278 -0.0748
+  403SOL    HW1 2781   3.883   1.264   6.815  0.3659  0.0029 -0.9798
+  403SOL    HW2 2782   3.775   1.213   6.908  2.9037 -2.0576  0.8907
+  404SOL     OW 2783   0.344   1.834   0.967  0.1157  0.2400  0.3616
+  404SOL    HW1 2784   0.282   1.906   0.959  0.9292  0.8822 -0.2538
+  404SOL    HW2 2785   0.313   1.769   0.904 -2.3697 -1.2868  3.0278
+  405SOL     OW 2786   2.933   0.256   6.843  0.0595  1.0573 -0.1319
+  405SOL    HW1 2787   2.861   0.229   6.900  0.4213  1.3661  0.4856
+  405SOL    HW2 2788   2.922   0.351   6.835  1.2952  1.3311  1.2390
+  406SOL     OW 2789   1.896   1.425   0.472  0.9028 -0.1893 -0.3499
+  406SOL    HW1 2790   1.968   1.456   0.526  1.9272 -1.8317 -0.7173
+  406SOL    HW2 2791   1.928   1.435   0.382 -0.0213  0.7070 -0.5888
+  407SOL     OW 2792   7.759   7.961   7.691 -0.3116 -0.0389 -0.1711
+  407SOL    HW1 2793   7.829   8.024   7.675 -0.9766  0.7832  0.1235
+  407SOL    HW2 2794   7.697   8.007   7.747 -0.7925 -0.9656  0.0761
+  408SOL     OW 2795   2.221   6.940   1.112 -0.8593 -0.2259 -0.1018
+  408SOL    HW1 2796   2.161   6.913   1.182 -0.5066  0.1036  0.3317
+  408SOL    HW2 2797   2.300   6.888   1.126 -0.7867 -0.1584 -0.2529
+  409SOL     OW 2798   0.915   7.745   0.812  0.1922 -0.5246 -0.1189
+  409SOL    HW1 2799   0.820   7.747   0.807  0.1360  1.2440  1.3150
+  409SOL    HW2 2800   0.943   7.707   0.728 -1.7490 -1.0406 -0.5540
+  410SOL     OW 2801   1.711   1.980   7.977 -0.7505 -0.1129 -0.0365
+  410SOL    HW1 2802   1.679   1.894   8.003 -1.4717 -0.3460 -1.6188
+  410SOL    HW2 2803   1.805   1.977   7.996 -0.0601 -2.5704 -3.2660
+  411SOL     OW 2804   0.915   1.203   0.810  0.4599 -0.2306  0.4168
+  411SOL    HW1 2805   0.830   1.174   0.778  0.3926 -0.2757  0.6376
+  411SOL    HW2 2806   0.905   1.297   0.824 -0.0268 -0.4960  1.9380
+  412SOL     OW 2807   1.328   0.170   1.600 -0.1153 -0.3704  0.3174
+  412SOL    HW1 2808   1.355   0.080   1.615 -0.1131 -0.3653  0.3456
+  412SOL    HW2 2809   1.311   0.176   1.506  0.4324 -0.2475  0.2287
+  413SOL     OW 2810   7.325   6.709   3.561 -0.4319  0.3276 -0.1223
+  413SOL    HW1 2811   7.277   6.664   3.631 -0.0715 -1.4550 -1.0029
+  413SOL    HW2 2812   7.266   6.706   3.486  1.1549 -2.2915 -1.3538
+  414SOL     OW 2813   7.093   2.052   1.077  0.1029  0.2765 -0.4825
+  414SOL    HW1 2814   7.185   2.040   1.053  0.0031 -1.0867 -0.2256
+  414SOL    HW2 2815   7.051   2.081   0.996  0.5341 -0.2699 -0.9078
+  415SOL     OW 2816   0.774   2.380   0.650  0.1441 -0.1145 -0.3076
+  415SOL    HW1 2817   0.737   2.325   0.580  0.8259 -1.2327  0.1995
+  415SOL    HW2 2818   0.706   2.380   0.718 -0.6451  1.2151 -1.0774
+  416SOL     OW 2819   1.946   2.387   1.297  0.0417  0.5953  0.0460
+  416SOL    HW1 2820   2.037   2.389   1.325 -0.3755  0.7848  1.3878
+  416SOL    HW2 2821   1.931   2.473   1.258  0.1686  0.9015  0.6726
+  417SOL     OW 2822   3.125   0.820   0.219  0.1115  0.2083 -0.4984
+  417SOL    HW1 2823   3.168   0.868   0.291  1.0854  0.4551 -1.2279
+  417SOL    HW2 2824   3.066   0.759   0.263  0.7115  0.3433  0.5220
+  418SOL     OW 2825   6.277   3.448   1.543  0.2340  0.0891  0.1499
+  418SOL    HW1 2826   6.253   3.396   1.620  1.2949  0.0801  0.4760
+  418SOL    HW2 2827   6.219   3.525   1.548 -2.4678 -1.7662 -1.2167
+  419SOL     OW 2828   1.291   1.981   1.437  0.6476 -0.0829  0.7206
+  419SOL    HW1 2829   1.365   2.040   1.453  0.2950 -0.3630  3.7706
+  419SOL    HW2 2830   1.215   2.039   1.435  0.4273 -0.2795  2.5880
+  420SOL     OW 2831   1.454   0.525   1.359 -0.1658  0.2981  0.1159
+  420SOL    HW1 2832   1.487   0.467   1.291  0.0309  0.7264 -0.1534
+  420SOL    HW2 2833   1.361   0.536   1.338  0.3085  1.9224 -1.1518
+  421SOL     OW 2834   7.276   1.312   0.329  0.0913 -0.2423 -0.2852
+  421SOL    HW1 2835   7.303   1.379   0.392  1.2993 -0.0388 -1.0046
+  421SOL    HW2 2836   7.242   1.241   0.383  2.1925 -0.5480  0.6847
+  422SOL     OW 2837   3.065   1.652   2.192  0.3480  0.2616  0.0683
+  422SOL    HW1 2838   2.995   1.718   2.185  0.5349  0.7600  2.4285
+  422SOL    HW2 2839   3.019   1.569   2.201  0.0432  0.5167  0.9587
+  423SOL     OW 2840   0.851   0.548   0.494  0.2409 -0.0888 -0.3758
+  423SOL    HW1 2841   0.896   0.515   0.416 -0.3505 -1.8282 -0.0010
+  423SOL    HW2 2842   0.758   0.531   0.476  0.2064 -1.8516  1.3161
+  424SOL     OW 2843   0.274   7.132   1.929  0.5208  0.1279  0.4954
+  424SOL    HW1 2844   0.329   7.206   1.950  1.3020 -1.2294  3.3752
+  424SOL    HW2 2845   0.335   7.064   1.900 -0.1043  0.2416 -1.1577
+  425SOL     OW 2846   7.717   1.451   3.197 -0.1058 -0.7531 -0.0132
+  425SOL    HW1 2847   7.693   1.381   3.258  0.4870 -0.4794  0.5471
+  425SOL    HW2 2848   7.651   1.519   3.211 -0.1462 -0.8168  0.1055
+  426SOL     OW 2849   7.976   0.512   1.202  0.8208  0.6210  0.3113
+  426SOL    HW1 2850   7.939   0.463   1.129  0.9523  0.8610  0.0850
+  426SOL    HW2 2851   7.999   0.445   1.267  2.4020  0.2512 -0.6108
+  427SOL     OW 2852   7.956   1.468   1.611  0.0130  0.3285  0.0772
+  427SOL    HW1 2853   7.950   1.554   1.654 -1.8938 -0.0195  0.5409
+  427SOL    HW2 2854   7.895   1.413   1.659  0.4821 -1.0351 -0.8667
+  428SOL     OW 2855   7.559   0.709   4.938 -0.1910 -0.0436  0.1047
+  428SOL    HW1 2856   7.584   0.686   4.849 -2.0401 -1.8217  0.0190
+  428SOL    HW2 2857   7.465   0.724   4.934 -0.5746 -1.6886  2.0508
+  429SOL     OW 2858   0.865   0.655   0.756  0.4375  0.0962  0.0516
+  429SOL    HW1 2859   0.859   0.600   0.677  0.0482 -0.5714  0.5349
+  429SOL    HW2 2860   0.797   0.721   0.743  1.4509  0.9657 -0.9081
+  430SOL     OW 2861   3.064   2.123   1.562 -0.6821  0.7909  0.2572
+  430SOL    HW1 2862   3.137   2.154   1.615 -0.5914  0.0947  0.5500
+  430SOL    HW2 2863   2.990   2.121   1.623 -0.0872 -2.0884  0.9370
+  431SOL     OW 2864   1.994   1.342   7.672 -0.0775 -0.1454 -0.1884
+  431SOL    HW1 2865   2.013   1.257   7.632 -3.1509 -1.1973  0.4802
+  431SOL    HW2 2866   1.932   1.383   7.612  0.5987  1.2134  0.0180
+  432SOL     OW 2867   7.792   7.342   0.842  0.3003 -0.0837  0.2430
+  432SOL    HW1 2868   7.834   7.395   0.909  0.8220 -1.1181  0.7280
+  432SOL    HW2 2869   7.810   7.251   0.866  2.8662 -0.4748 -2.7643
+  433SOL     OW 2870   7.437   0.633   2.046 -0.5609  0.3253  0.0953
+  433SOL    HW1 2871   7.511   0.573   2.038 -0.3559  0.4203  1.1727
+  433SOL    HW2 2872   7.362   0.583   2.016  0.0558  0.4886 -1.7574
+  434SOL     OW 2873   2.131   0.689   1.116 -0.3340  0.5587 -0.2243
+  434SOL    HW1 2874   2.038   0.666   1.113 -0.2613  0.1496  0.4500
+  434SOL    HW2 2875   2.176   0.604   1.120  0.1032  0.7363 -1.3122
+  435SOL     OW 2876   0.401   1.833   1.382 -0.7038 -0.6101 -0.1670
+  435SOL    HW1 2877   0.364   1.898   1.441  0.5622 -0.1837  0.1767
+  435SOL    HW2 2878   0.348   1.839   1.303 -1.0258  0.3670  0.1161
+  436SOL     OW 2879   7.818   7.739   1.763 -0.0080 -0.2556  0.3069
+  436SOL    HW1 2880   7.835   7.651   1.798 -0.3548  0.3036  1.9016
+  436SOL    HW2 2881   7.728   7.758   1.789 -0.2379  0.2377 -0.8039
+  437SOL     OW 2882   2.938   6.469   2.028  0.3762  0.3098  0.6541
+  437SOL    HW1 2883   2.891   6.520   2.094  1.1997 -1.0612  2.3254
+  437SOL    HW2 2884   2.907   6.379   2.041 -0.4449  0.2061 -1.7225
+  438SOL     OW 2885   4.102   1.481   0.083  0.1351  0.8728 -0.2379
+  438SOL    HW1 2886   4.016   1.520   0.099 -0.5416 -0.3721 -0.8000
+  438SOL    HW2 2887   4.164   1.546   0.116 -1.0520  1.0600  1.6735
+  439SOL     OW 2888   7.350   0.505   1.535  0.1051 -0.0279 -0.1657
+  439SOL    HW1 2889   7.387   0.486   1.621  0.2494  2.4628  0.3605
+  439SOL    HW2 2890   7.300   0.427   1.512  1.4212 -1.3600  1.4434
+  440SOL     OW 2891   3.275   1.328   0.058  0.4806  0.0333  0.1612
+  440SOL    HW1 2892   3.200   1.268   0.054  0.7911 -0.3027 -0.9043
+  440SOL    HW2 2893   3.238   1.414   0.037  0.1230  0.1276  1.1814
+  441SOL     OW 2894   0.223   0.843   1.847 -0.1806  0.2536 -0.4178
+  441SOL    HW1 2895   0.264   0.795   1.775  1.1201  0.6206  0.0616
+  441SOL    HW2 2896   0.160   0.901   1.805 -0.7498 -0.8432 -1.1111
+  442SOL     OW 2897   3.669   0.308   6.869 -0.2840  0.0664  0.0369
+  442SOL    HW1 2898   3.738   0.248   6.841 -0.2399  0.8562 -1.5757
+  442SOL    HW2 2899   3.667   0.298   6.965  2.7965  0.7623  0.2398
+  443SOL     OW 2900   1.531   0.733   2.071  0.0046  0.0982  0.6770
+  443SOL    HW1 2901   1.524   0.826   2.051 -0.7380  0.4075  2.2950
+  443SOL    HW2 2902   1.459   0.693   2.023  2.5385 -0.2150 -3.0872
+  444SOL     OW 2903   1.167   0.920   7.967 -0.2965  0.4629  0.6863
+  444SOL    HW1 2904   1.196   0.832   7.993 -0.0713  0.7284  1.3654
+  444SOL    HW2 2905   1.153   0.965   8.051 -0.1120  1.1698  0.3324
+  445SOL     OW 2906   6.793   2.003   1.695 -0.0910  0.5540  0.0843
+  445SOL    HW1 2907   6.706   2.041   1.679 -0.4086  0.3886  1.3070
+  445SOL    HW2 2908   6.780   1.909   1.685 -0.3198  0.4412  1.3755
+  446SOL     OW 2909   7.874   1.406   1.365  0.3969  0.0256  0.1622
+  446SOL    HW1 2910   7.888   1.428   1.457 -0.5954  0.9443  0.1058
+  446SOL    HW2 2911   7.781   1.422   1.350  0.7944  1.1339 -1.3106
+  447SOL     OW 2912   2.897   7.221   2.312 -0.2443  0.2820  0.0180
+  447SOL    HW1 2913   2.945   7.302   2.328 -1.0483  0.4907  1.4737
+  447SOL    HW2 2914   2.888   7.181   2.398 -0.4009 -1.0572 -0.6026
+  448SOL     OW 2915   7.462   2.154   1.623 -0.0568  0.0384 -0.9122
+  448SOL    HW1 2916   7.444   2.060   1.627 -0.7190  0.2192  0.7903
+  448SOL    HW2 2917   7.398   2.188   1.560 -1.6956 -0.2500  0.5496
+  449SOL     OW 2918   0.373   0.250   0.343 -0.1588 -0.4168  0.4574
+  449SOL    HW1 2919   0.409   0.170   0.305  0.0792  0.0828 -0.3887
+  449SOL    HW2 2920   0.360   0.308   0.268 -1.5267 -0.1253  0.9052
+  450SOL     OW 2921   0.368   2.301   1.505  0.1778 -0.0348 -0.2127
+  450SOL    HW1 2922   0.306   2.237   1.470 -0.0948  0.6557 -1.0013
+  450SOL    HW2 2923   0.318   2.350   1.570  0.0547  0.1616 -0.4567
+  451SOL     OW 2924   1.939   0.422   1.774 -0.0014 -0.1835  0.1079
+  451SOL    HW1 2925   2.005   0.409   1.706 -1.3854 -0.8782 -1.1367
+  451SOL    HW2 2926   1.923   0.516   1.776  2.6617  0.2756  2.0185
+  452SOL     OW 2927   7.283   7.786   0.544  0.6972 -0.3461 -0.3968
+  452SOL    HW1 2928   7.311   7.699   0.514  0.4609  0.2329 -2.3506
+  452SOL    HW2 2929   7.361   7.840   0.534  0.3682  0.0537 -0.7943
+  453SOL     OW 2930   7.128   1.581   2.057 -0.0359  0.7726  0.6926
+  453SOL    HW1 2931   7.222   1.567   2.070 -0.1612  0.0898  0.8693
+  453SOL    HW2 2932   7.108   1.657   2.112  0.8027  2.1968 -0.9049
+  454SOL     OW 2933   0.344   1.723   1.819  0.0020 -0.4761  0.0417
+  454SOL    HW1 2934   0.268   1.778   1.836 -0.3947 -1.2281  0.7630
+  454SOL    HW2 2935   0.407   1.781   1.776 -0.6756  0.3478  0.1470
+  455SOL     OW 2936   6.706   0.125   1.304  0.4937 -0.2592  0.5483
+  455SOL    HW1 2937   6.675   0.150   1.391 -1.2721  1.0263 -0.4386
+  455SOL    HW2 2938   6.685   0.199   1.248  0.1921 -1.7104 -1.3056
+  456SOL     OW 2939   1.449   1.629   0.516  0.3981 -0.4836  0.0527
+  456SOL    HW1 2940   1.502   1.553   0.540  1.5678  0.5614  0.8466
+  456SOL    HW2 2941   1.376   1.629   0.578  1.1037 -0.2260  0.8947
+  457SOL     OW 2942   0.736   1.023   0.971 -0.4524 -0.1385 -0.0744
+  457SOL    HW1 2943   0.672   0.956   0.993  1.8257 -3.3023 -2.6290
+  457SOL    HW2 2944   0.714   1.050   0.882 -0.9548  2.0845  0.6953
+  458SOL     OW 2945   2.353   0.510   0.039 -0.1111  0.2508 -0.3512
+  458SOL    HW1 2946   2.328   0.536   0.128  0.1096 -0.1036 -0.1836
+  458SOL    HW2 2947   2.401   0.585   0.005  1.4772 -0.3267  0.5266
+  459SOL     OW 2948   0.722   0.450   3.023  0.0961  0.3091 -0.0319
+  459SOL    HW1 2949   0.710   0.525   3.081 -0.4923  0.4565 -0.3340
+  459SOL    HW2 2950   0.727   0.488   2.935 -0.7841 -0.0434 -0.2411
+  460SOL     OW 2951   1.552   6.768   1.165 -0.0255 -0.1213 -0.3906
+  460SOL    HW1 2952   1.518   6.845   1.212  1.1118  0.5343 -0.6482
+  460SOL    HW2 2953   1.552   6.794   1.073  0.6916 -0.3076 -0.4434
+  461SOL     OW 2954   6.283   1.984   1.699 -0.0640  0.4822 -0.4717
+  461SOL    HW1 2955   6.244   2.025   1.776  0.6717  1.1294 -0.4379
+  461SOL    HW2 2956   6.209   1.945   1.653 -0.3490 -1.0589  1.2418
+  462SOL     OW 2957   2.439   2.683   2.278  0.1772  0.3241 -0.2504
+  462SOL    HW1 2958   2.456   2.589   2.273  1.4921  0.5986 -1.3365
+  462SOL    HW2 2959   2.426   2.700   2.371 -1.9247 -1.2141 -0.2254
+  463SOL     OW 2960   0.226   1.952   0.303  0.2234  0.3190 -0.1873
+  463SOL    HW1 2961   0.305   1.899   0.312 -0.3625 -0.5792 -0.2708
+  463SOL    HW2 2962   0.178   1.939   0.386 -0.3703 -0.0190 -0.5820
+  464SOL     OW 2963   1.410   1.205   2.246  0.5492 -0.5461 -0.0784
+  464SOL    HW1 2964   1.375   1.265   2.180  1.9474 -1.1003 -1.3421
+  464SOL    HW2 2965   1.491   1.246   2.276  0.7828 -1.1170  0.0767
+  465SOL     OW 2966   1.539   0.298   1.239 -0.4270  0.9362  0.1642
+  465SOL    HW1 2967   1.566   0.235   1.306  0.7252 -2.7080 -3.4988
+  465SOL    HW2 2968   1.444   0.287   1.234 -0.3383  0.1164  0.1692
+  466SOL     OW 2969   1.234   1.314   1.860 -0.3106  0.3527  0.1265
+  466SOL    HW1 2970   1.146   1.351   1.855  0.2194  1.8572  1.3295
+  466SOL    HW2 2971   1.225   1.236   1.916 -0.8313  0.6744  0.4948
+  467SOL     OW 2972   7.507   2.433   1.097 -0.1782  0.6220 -0.2444
+  467SOL    HW1 2973   7.549   2.495   1.037  2.8521 -0.3207  0.8626
+  467SOL    HW2 2974   7.453   2.378   1.039  0.3900  1.6019 -1.7427
+  468SOL     OW 2975   1.407   6.985   1.229  0.0988 -0.0415  0.2334
+  468SOL    HW1 2976   1.368   7.055   1.281  0.1983  0.6649 -0.6222
+  468SOL    HW2 2977   1.334   6.950   1.177  0.2358  0.0614 -0.0299
+  469SOL     OW 2978   1.431   0.971   1.013  0.0416 -0.4587 -0.0327
+  469SOL    HW1 2979   1.516   1.001   1.045 -0.2446  0.2840  0.0421
+  469SOL    HW2 2980   1.401   0.909   1.079  0.0409  0.0917  0.4907
+  470SOL     OW 2981   3.506   4.028   5.844  0.1215  0.2738  0.4602
+  470SOL    HW1 2982   3.574   4.093   5.825  0.6901 -0.0755  1.2845
+  470SOL    HW2 2983   3.440   4.043   5.777 -0.7647  3.1423  1.8674
+  471SOL     OW 2984   1.471   2.737   1.486 -0.3744 -0.1923 -0.1516
+  471SOL    HW1 2985   1.540   2.803   1.486 -0.1011 -0.4625 -1.0736
+  471SOL    HW2 2986   1.518   2.654   1.499 -0.7993 -0.1427  1.8849
+  472SOL     OW 2987   2.050   7.895   0.740  0.0961  0.1584 -0.2752
+  472SOL    HW1 2988   2.056   7.839   0.818 -2.7301 -0.1849 -0.2601
+  472SOL    HW2 2989   2.063   7.836   0.666 -0.7747 -0.1775 -0.1723
+  473SOL     OW 2990   0.872   1.131   2.581 -0.8705 -0.0563  0.5928
+  473SOL    HW1 2991   0.959   1.154   2.612 -0.4481 -0.5927 -0.1817
+  473SOL    HW2 2992   0.835   1.214   2.551 -0.0492 -0.0830 -0.4976
+  474SOL     OW 2993   0.554   2.225   1.332  0.0866  0.1914 -0.0234
+  474SOL    HW1 2994   0.504   2.263   1.404  0.2910  0.7290 -0.1676
+  474SOL    HW2 2995   0.525   2.272   1.255 -0.9904 -1.1752 -0.4752
+  475SOL     OW 2996   2.479   1.238   7.708 -0.3179  0.2353 -0.0495
+  475SOL    HW1 2997   2.473   1.176   7.781 -1.2486  0.7332  0.3016
+  475SOL    HW2 2998   2.479   1.183   7.630 -2.1468 -0.1810  0.2107
+  476SOL     OW 2999   2.239   0.942   1.183  0.0408  1.0686 -0.2294
+  476SOL    HW1 3000   2.212   0.963   1.272  0.8309  0.2530  0.2184
+  476SOL    HW2 3001   2.204   0.854   1.169  2.1694  0.1235  0.2520
+  477SOL     OW 3002   0.169   7.019   2.141  0.0459 -0.1551  0.4213
+  477SOL    HW1 3003   0.119   6.946   2.103 -1.1184  1.1565 -0.5917
+  477SOL    HW2 3004   0.201   7.068   2.065 -0.8512  1.5226  1.1032
+  478SOL     OW 3005   2.133   0.573   7.275 -0.1355  0.2526 -0.5816
+  478SOL    HW1 3006   2.209   0.518   7.296  0.4364  1.6403  1.0751
+  478SOL    HW2 3007   2.154   0.611   7.189 -0.1045 -1.3298 -1.2947
+  479SOL     OW 3008   2.795   0.997   0.761  0.6784  0.2064 -0.3088
+  479SOL    HW1 3009   2.730   0.929   0.743  1.6749 -0.9208  0.3080
+  479SOL    HW2 3010   2.758   1.046   0.835  1.3912 -1.6332  1.3118
+  480SOL     OW 3011   1.793   2.190   1.171 -0.3117 -0.1936 -0.2769
+  480SOL    HW1 3012   1.714   2.182   1.225  0.5757 -2.4518  0.7357
+  480SOL    HW2 3013   1.841   2.263   1.211 -1.8876  1.2634 -0.9583
+  481SOL     OW 3014   2.221   0.538   0.749 -0.6272 -0.2230 -0.4516
+  481SOL    HW1 3015   2.265   0.616   0.717 -3.0093  1.2483 -0.2652
+  481SOL    HW2 3016   2.286   0.468   0.743  1.9314  2.0226  0.5719
+  482SOL     OW 3017   1.445   1.403   0.152 -0.0073 -0.9296 -0.4596
+  482SOL    HW1 3018   1.474   1.313   0.169  0.2234 -0.8402 -0.3761
+  482SOL    HW2 3019   1.407   1.432   0.235  1.9988 -0.1563  0.2235
+  483SOL     OW 3020   2.183   1.644   7.134 -0.3018  0.4811  0.3507
+  483SOL    HW1 3021   2.245   1.644   7.208 -0.5619 -1.4915  0.5755
+  483SOL    HW2 3022   2.141   1.559   7.138 -1.4898  0.9899 -1.1267
+  484SOL     OW 3023   1.513   0.210   0.537  0.4051  0.4344 -0.3981
+  484SOL    HW1 3024   1.418   0.208   0.523  0.6120  2.0102 -2.2478
+  484SOL    HW2 3025   1.549   0.160   0.464  1.0367  0.3710 -0.0432
+  485SOL     OW 3026   2.916   6.450   0.969  0.0602  0.4484  0.1458
+  485SOL    HW1 3027   2.950   6.360   0.962  1.0658  0.7542  0.9382
+  485SOL    HW2 3028   2.854   6.447   1.041  1.1571  0.6905  1.1184
+  486SOL     OW 3029   2.084   0.428   1.315  0.2410  0.3216 -0.0246
+  486SOL    HW1 3030   1.996   0.437   1.278 -0.1216  1.2719  1.0454
+  486SOL    HW2 3031   2.140   0.409   1.240 -0.6156  1.3347 -0.9363
+  487SOL     OW 3032   2.218   7.795   1.104  0.3465  0.2174 -0.3281
+  487SOL    HW1 3033   2.157   7.737   1.059  0.9675 -0.3142 -0.4825
+  487SOL    HW2 3034   2.170   7.878   1.112 -0.5529 -0.3105 -0.0841
+  488SOL     OW 3035   1.436   2.016   1.066 -0.4562  0.4423 -0.1502
+  488SOL    HW1 3036   1.471   2.077   1.130 -0.3804  1.6924 -1.3688
+  488SOL    HW2 3037   1.469   2.047   0.982 -2.0235 -0.0999 -0.9935
+  489SOL     OW 3038   0.723   0.466   4.165 -0.3179  0.3005 -0.6587
+  489SOL    HW1 3039   0.731   0.478   4.260  0.7683  1.2814 -0.8717
+  489SOL    HW2 3040   0.655   0.399   4.156 -0.4392  0.1982  0.8113
+  490SOL     OW 3041   0.635   0.221   2.666  0.1595 -0.4945 -0.0677
+  490SOL    HW1 3042   0.707   0.159   2.653 -0.3777 -1.1482  0.0742
+  490SOL    HW2 3043   0.564   0.168   2.702 -1.4112 -0.4655 -2.9993
+  491SOL     OW 3044   0.405   0.938   1.443 -0.2274 -0.0379 -0.2542
+  491SOL    HW1 3045   0.461   0.981   1.378 -0.0273 -1.0001 -0.7300
+  491SOL    HW2 3046   0.317   0.970   1.425 -0.1898 -0.4021 -1.0971
+  492SOL     OW 3047   0.866   0.826   0.313  0.4413 -0.0009  0.2366
+  492SOL    HW1 3048   0.784   0.875   0.311  0.4295  0.0133  1.1054
+  492SOL    HW2 3049   0.850   0.753   0.372 -0.0430 -1.9930 -2.3152
+  493SOL     OW 3050   1.413   7.554   1.229 -0.2398 -0.0988  0.2144
+  493SOL    HW1 3051   1.337   7.534   1.175 -1.2444 -2.3916  2.3613
+  493SOL    HW2 3052   1.432   7.472   1.275  0.5204  1.7747  3.3948
+  494SOL     OW 3053   6.738   2.216   0.791 -0.0716 -0.4470  0.5540
+  494SOL    HW1 3054   6.773   2.135   0.829  0.0566 -0.2653  0.8223
+  494SOL    HW2 3055   6.762   2.211   0.699 -2.2633 -1.9239  0.0363
+  495SOL     OW 3056   1.868   0.522   2.714 -0.7669  0.3229 -0.2706
+  495SOL    HW1 3057   1.933   0.483   2.772 -0.3244  1.7292  0.2007
+  495SOL    HW2 3058   1.817   0.447   2.682 -0.1150 -0.6124  0.8126
+  496SOL     OW 3059   2.328   2.410   7.777  0.1714  0.0313  0.5779
+  496SOL    HW1 3060   2.421   2.424   7.756  0.2844  1.3100  1.8081
+  496SOL    HW2 3061   2.328   2.331   7.830  0.3234 -1.0424 -0.9837
+  497SOL     OW 3062   1.181   1.258   1.093 -0.4736 -0.4924 -0.5517
+  497SOL    HW1 3063   1.144   1.178   1.057 -0.1937 -0.7877 -0.1813
+  497SOL    HW2 3064   1.275   1.243   1.093 -0.1768  0.9470 -3.2066
+  498SOL     OW 3065   0.741   2.607   2.483  0.0622  0.5661  0.2613
+  498SOL    HW1 3066   0.702   2.559   2.410 -1.2908  0.7575  0.8326
+  498SOL    HW2 3067   0.810   2.549   2.516 -1.6147 -1.0592  1.0168
+  499SOL     OW 3068   0.221   1.562   1.349 -0.6289 -0.0362  0.2100
+  499SOL    HW1 3069   0.154   1.614   1.394 -0.6438 -0.2018  0.3810
+  499SOL    HW2 3070   0.303   1.590   1.389 -0.5784  0.2998 -0.1286
+  500SOL     OW 3071   2.264   0.501   0.399  0.6924 -0.1951 -0.2772
+  500SOL    HW1 3072   2.279   0.578   0.345 -0.6589  1.3996  1.5348
+  500SOL    HW2 3073   2.347   0.488   0.446  0.5862  0.8544  0.2300
+  501SOL     OW 3074   3.879   6.230   2.641  0.0358  0.2561  0.0456
+  501SOL    HW1 3075   3.887   6.238   2.736 -0.5263  0.9568  0.0474
+  501SOL    HW2 3076   3.967   6.213   2.610  0.2173  0.0086  0.7020
+  502SOL     OW 3077   1.566   1.938   7.733 -0.2818 -0.1081  0.3459
+  502SOL    HW1 3078   1.515   1.857   7.737 -3.5434  1.7905 -0.5910
+  502SOL    HW2 3079   1.604   1.948   7.821 -2.5379 -1.0095  1.4459
+  503SOL     OW 3080   1.015   2.319   1.853  0.0879 -0.0676 -0.2773
+  503SOL    HW1 3081   0.928   2.300   1.817  0.4327  1.4052 -1.9852
+  503SOL    HW2 3082   1.055   2.377   1.788  1.0515  2.0861  2.1700
+  504SOL     OW 3083   1.659   6.527   1.143 -0.0172  0.1582 -0.0699
+  504SOL    HW1 3084   1.672   6.522   1.238  1.1810  0.6672 -0.1949
+  504SOL    HW2 3085   1.647   6.621   1.126 -0.5579  0.0334 -0.3933
+  505SOL     OW 3086   7.732   1.564   0.078 -0.0424  0.0319  0.5174
+  505SOL    HW1 3087   7.673   1.543   0.151  0.4156 -0.7817  0.6582
+  505SOL    HW2 3088   7.689   1.525   0.001 -1.0479  1.7814  0.1704
+  506SOL     OW 3089   7.302   1.970   2.239 -0.1090 -0.3841  0.0725
+  506SOL    HW1 3090   7.234   2.037   2.236 -0.6080 -0.8663  0.4804
+  506SOL    HW2 3091   7.384   2.019   2.238 -0.4732  0.2425  0.7620
+  507SOL     OW 3092   7.651   2.231   1.799 -0.7788 -0.0102 -0.2510
+  507SOL    HW1 3093   7.615   2.220   1.887 -1.1805  3.1479  0.0380
+  507SOL    HW2 3094   7.577   2.211   1.741 -0.7390 -1.2943  0.1137
+  508SOL     OW 3095   1.179   2.896   2.233  0.1295 -0.0349 -0.1084
+  508SOL    HW1 3096   1.154   2.808   2.204  0.5483 -0.1567 -0.0986
+  508SOL    HW2 3097   1.110   2.921   2.295 -2.2497  1.3261 -3.2020
+  509SOL     OW 3098   1.836   1.922   1.217 -0.0421  0.2037  0.0368
+  509SOL    HW1 3099   1.818   2.013   1.192  1.8665  0.7083  0.4659
+  509SOL    HW2 3100   1.781   1.870   1.158  0.6024  1.5564 -1.7866
+  510SOL     OW 3101   7.255   3.349   2.212  0.1788 -0.2647 -0.5853
+  510SOL    HW1 3102   7.345   3.374   2.231 -0.2730  0.8172  0.1819
+  510SOL    HW2 3103   7.208   3.362   2.295 -0.7997 -0.2914 -1.1232
+  511SOL     OW 3104   5.742   1.862   1.865  0.3934 -0.0172 -0.1104
+  511SOL    HW1 3105   5.808   1.826   1.925  3.0566  0.3227 -2.7308
+  511SOL    HW2 3106   5.715   1.788   1.812  0.3872  0.3341 -0.5995
+  512SOL     OW 3107   7.476   1.866   0.987 -0.3764 -0.2542 -0.0039
+  512SOL    HW1 3108   7.568   1.868   0.961  0.0016 -2.3806  1.1192
+  512SOL    HW2 3109   7.429   1.893   0.908  1.2218  1.8150 -0.3100
+  513SOL     OW 3110   1.812   6.536   7.918  0.3237 -0.4077 -0.3494
+  513SOL    HW1 3111   1.733   6.496   7.952 -0.3492  0.6481 -0.6398
+  513SOL    HW2 3112   1.807   6.627   7.947  0.0496  0.3568 -2.6618
+  514SOL     OW 3113   7.479   0.048   0.640  0.2798  0.1065  0.3457
+  514SOL    HW1 3114   7.549  -0.015   0.657  0.6591 -0.1349 -1.9683
+  514SOL    HW2 3115   7.524   0.132   0.635  0.1626  0.1821  0.5531
+  515SOL     OW 3116   2.090   1.598   7.962 -0.6142 -0.1904  0.3596
+  515SOL    HW1 3117   2.011   1.598   7.907  0.1645 -1.1007 -0.7785
+  515SOL    HW2 3118   2.162   1.581   7.901  0.4034  0.0315  1.4814
+  516SOL     OW 3119   3.194   0.259   6.963  0.3104 -0.3278 -0.1640
+  516SOL    HW1 3120   3.210   0.173   7.000 -0.5514 -0.0927  0.7853
+  516SOL    HW2 3121   3.104   0.255   6.930 -0.0522  0.4671  0.6796
+  517SOL     OW 3122   1.305   1.749   0.049  0.1090  0.3069 -0.2409
+  517SOL    HW1 3123   1.231   1.691   0.033  1.6717 -1.7335 -0.2828
+  517SOL    HW2 3124   1.309   1.757   0.144 -1.0561  1.6011 -0.3040
+  518SOL     OW 3125   2.448   7.364   2.446  0.0998 -0.3511  0.8605
+  518SOL    HW1 3126   2.500   7.316   2.511 -0.8617 -1.6575  0.6786
+  518SOL    HW2 3127   2.505   7.436   2.419  0.8342 -0.2663  2.5381
+  519SOL     OW 3128   1.640   7.030   7.912  0.0664 -0.1810 -0.0904
+  519SOL    HW1 3129   1.644   6.946   7.868  1.1215 -0.2404  0.1139
+  519SOL    HW2 3130   1.728   7.066   7.904 -0.2089  0.6185  0.3819
+  520SOL     OW 3131   0.950   2.172   7.951  0.0248  0.4994 -0.1821
+  520SOL    HW1 3132   0.974   2.183   8.042 -0.0284 -0.1499 -0.0841
+  520SOL    HW2 3133   1.015   2.110   7.916 -0.4725  0.0662 -0.3512
+  521SOL     OW 3134   0.535   2.366   2.158  0.2332 -0.1953  0.3878
+  521SOL    HW1 3135   0.584   2.377   2.076  0.4453  4.8135  1.0187
+  521SOL    HW2 3136   0.443   2.363   2.131  0.3567  0.4503 -0.1130
+  522SOL     OW 3137   0.087   1.566   0.439  0.5783 -0.2883  0.5429
+  522SOL    HW1 3138  -0.001   1.530   0.443  0.8962 -0.9121  1.9975
+  522SOL    HW2 3139   0.084   1.629   0.367 -1.2830  0.3144  1.1266
+  523SOL     OW 3140   0.480   1.583   7.426  0.0738 -0.1220  0.6208
+  523SOL    HW1 3141   0.528   1.506   7.456  0.2633 -0.2428  0.0162
+  523SOL    HW2 3142   0.548   1.640   7.389  0.2517  1.3015  2.9922
+  524SOL     OW 3143   1.414   0.359   7.777  0.3572  0.0131 -0.4908
+  524SOL    HW1 3144   1.322   0.344   7.795  0.6047 -0.2648  0.6023
+  524SOL    HW2 3145   1.421   0.359   7.682 -0.7688  0.0562 -0.5764
+  525SOL     OW 3146   0.052   0.664   0.584 -0.1696  0.4867  0.1432
+  525SOL    HW1 3147   0.014   0.656   0.671 -0.1992  0.4385  0.1261
+  525SOL    HW2 3148   0.060   0.574   0.553  0.4263  0.4670  0.3505
+  526SOL     OW 3149   0.427   1.992   6.838  0.0763  0.3265 -0.3166
+  526SOL    HW1 3150   0.509   2.002   6.886  0.0221  0.5933 -0.2760
+  526SOL    HW2 3151   0.408   1.898   6.840 -0.5287  0.4730  1.1781
+  527SOL     OW 3152   1.902   7.719   1.855  0.2626 -0.1730  0.8800
+  527SOL    HW1 3153   1.993   7.737   1.829 -0.9002  1.1234 -2.4989
+  527SOL    HW2 3154   1.869   7.804   1.884 -1.0668  0.2431 -1.7840
+  528SOL     OW 3155   5.824   7.674   2.662  0.2626 -0.0608 -0.2764
+  528SOL    HW1 3156   5.766   7.738   2.703  0.7280  0.2832 -0.1467
+  528SOL    HW2 3157   5.891   7.656   2.728 -0.0685 -0.9551 -0.1802
+  529SOL     OW 3158   1.095   0.550   2.102  0.3174 -0.2165 -0.0021
+  529SOL    HW1 3159   1.132   0.610   2.037 -0.3117 -0.5567 -0.6657
+  529SOL    HW2 3160   1.118   0.463   2.070 -0.0297 -0.3854  0.2098
+  530SOL     OW 3161   0.172   0.575   2.722  0.4701 -0.0660  0.5126
+  530SOL    HW1 3162   0.211   0.490   2.740  0.0505 -0.5425 -0.7831
+  530SOL    HW2 3163   0.125   0.597   2.803  1.4512 -0.5623  1.2369
+  531SOL     OW 3164   1.277   1.262   3.707 -0.0791 -0.5921 -0.2189
+  531SOL    HW1 3165   1.277   1.182   3.759 -0.8067 -0.6241 -0.2573
+  531SOL    HW2 3166   1.368   1.292   3.708  0.6407 -2.6124 -2.0567
+  532SOL     OW 3167   0.464   7.776   3.533 -0.0074  0.1276  0.4046
+  532SOL    HW1 3168   0.507   7.860   3.518 -0.6261  0.6009  1.2532
+  532SOL    HW2 3169   0.428   7.752   3.448  3.1738 -1.0143 -0.7277
+  533SOL     OW 3170   1.630   7.823   2.935 -0.8092  0.1794 -0.1181
+  533SOL    HW1 3171   1.551   7.787   2.895 -1.3230  1.8023 -0.6129
+  533SOL    HW2 3172   1.598   7.883   3.002  0.0037  0.7326 -0.2203
+  534SOL     OW 3173   0.571   3.359   2.948 -1.0135 -0.0568  0.2702
+  534SOL    HW1 3174   0.599   3.431   2.891 -0.9850 -1.7118 -1.8412
+  534SOL    HW2 3175   0.652   3.315   2.974 -0.9943  0.9083  1.9412
+  535SOL     OW 3176   0.694   1.599   2.368 -0.4762 -0.0211 -0.2339
+  535SOL    HW1 3177   0.686   1.600   2.273 -1.0711 -2.7787 -0.2373
+  535SOL    HW2 3178   0.785   1.576   2.385 -0.6382 -0.6097 -0.1457
+  536SOL     OW 3179   7.325   1.969   3.765  0.1069 -0.5155 -0.0809
+  536SOL    HW1 3180   7.364   1.888   3.799  1.6198 -0.1047 -0.8256
+  536SOL    HW2 3181   7.265   1.997   3.835  0.0142 -1.9445  0.4396
+  537SOL     OW 3182   1.506   1.195   4.402 -0.5080 -0.7342  0.0053
+  537SOL    HW1 3183   1.434   1.250   4.432 -1.2618 -0.7237 -1.7981
+  537SOL    HW2 3184   1.563   1.254   4.354  1.2056 -0.5577  2.1799
+  538SOL     OW 3185   7.044   2.668   2.206  0.7128 -0.1388 -0.0172
+  538SOL    HW1 3186   7.016   2.731   2.139  0.2878 -0.3952 -0.0774
+  538SOL    HW2 3187   7.138   2.658   2.191  0.8079  0.5847  0.0747
+  539SOL     OW 3188   2.019   1.515   4.957 -0.2935 -0.7303 -0.4443
+  539SOL    HW1 3189   1.942   1.461   4.941 -1.7539  0.6713  1.6597
+  539SOL    HW2 3190   2.023   1.523   5.052  2.3873 -0.6675 -0.5324
+  540SOL     OW 3191   0.438   0.329   3.638  0.0555 -0.3964  0.4232
+  540SOL    HW1 3192   0.509   0.383   3.603  0.1642 -0.6143  0.3056
+  540SOL    HW2 3193   0.365   0.390   3.651  0.3473 -0.1219  0.7943
+  541SOL     OW 3194   2.202   0.115   2.135 -0.0839 -0.2711 -0.3951
+  541SOL    HW1 3195   2.195   0.201   2.092 -1.2463 -1.2343 -2.1923
+  541SOL    HW2 3196   2.249   0.061   2.071  1.2749 -0.8027  1.0226
+  542SOL     OW 3197   7.440   2.201   2.776 -0.0642 -0.1615 -1.4007
+  542SOL    HW1 3198   7.406   2.183   2.688 -1.2765  1.1692 -1.2256
+  542SOL    HW2 3199   7.383   2.150   2.834 -0.6204  0.6371 -1.2393
+  543SOL     OW 3200   1.484   0.383   3.868 -0.3555 -0.6586 -0.4153
+  543SOL    HW1 3201   1.423   0.377   3.942  1.2874 -3.8067  0.8006
+  543SOL    HW2 3202   1.448   0.324   3.803  1.1430 -2.2835  0.1792
+  544SOL     OW 3203   0.188   0.490   3.631 -0.2258 -0.2054 -0.5214
+  544SOL    HW1 3204   0.148   0.567   3.591 -1.1499  0.2366  1.2400
+  544SOL    HW2 3205   0.203   0.515   3.722 -0.0248 -1.9233 -0.0741
+  545SOL     OW 3206   0.827   1.167   4.100 -0.5671  0.0051 -0.2145
+  545SOL    HW1 3207   0.899   1.170   4.037 -0.4578 -1.7652 -0.1921
+  545SOL    HW2 3208   0.748   1.183   4.048 -0.6135 -2.7184 -1.0576
+  546SOL     OW 3209   7.376   1.889   1.723  0.1760 -0.2760 -0.0439
+  546SOL    HW1 3210   7.329   1.828   1.667  1.4453 -2.1708  0.9100
+  546SOL    HW2 3211   7.318   1.902   1.799  0.4927 -1.3816  0.3938
+  547SOL     OW 3212   2.588   1.330   2.444 -0.7690  0.1421 -0.0680
+  547SOL    HW1 3213   2.634   1.413   2.455 -0.8723  0.3843 -1.3767
+  547SOL    HW2 3214   2.651   1.274   2.398 -1.7459  0.4637 -1.8370
+  548SOL     OW 3215   0.500   7.772   2.093  0.2195  0.3842 -0.4486
+  548SOL    HW1 3216   0.537   7.684   2.094  0.7846  0.6281  0.8044
+  548SOL    HW2 3217   0.434   7.772   2.162  2.8350  2.0089  2.1671
+  549SOL     OW 3218   5.747   1.403   1.993 -0.1830  0.1344  0.5496
+  549SOL    HW1 3219   5.824   1.390   2.048  0.6586  0.9413 -0.4216
+  549SOL    HW2 3220   5.781   1.443   1.913 -1.5874  0.3389  0.0436
+  550SOL     OW 3221   1.695   1.293   1.781 -0.0973  0.0199 -0.1768
+  550SOL    HW1 3222   1.710   1.198   1.778 -1.7970 -0.2346 -0.8769
+  550SOL    HW2 3223   1.674   1.311   1.872  3.2848  0.2353  0.6423
+  551SOL     OW 3224   0.671   2.253   0.439  0.0249  0.6014 -0.0748
+  551SOL    HW1 3225   0.662   2.211   0.353 -0.9280 -1.9469  1.2294
+  551SOL    HW2 3226   0.650   2.184   0.502  0.9756  2.3522  2.2365
+  552SOL     OW 3227   1.259   0.175   1.339  0.2433  0.7338 -0.8218
+  552SOL    HW1 3228   1.250   0.136   1.252  0.2996 -1.2545  0.0528
+  552SOL    HW2 3229   1.184   0.235   1.346 -1.1324 -0.8997 -1.3022
+  553SOL     OW 3230   1.980   0.411   3.498 -0.5683 -0.5616  0.3423
+  553SOL    HW1 3231   1.927   0.459   3.434 -0.6711 -0.5362  0.4469
+  553SOL    HW2 3232   1.940   0.432   3.583  0.1557  0.1814  0.5105
+  554SOL     OW 3233   0.142   0.207   2.169 -0.5134 -0.1227 -0.2512
+  554SOL    HW1 3234   0.157   0.185   2.077 -1.0313 -1.2116 -0.0758
+  554SOL    HW2 3235   0.221   0.178   2.214 -0.7441 -0.6585 -0.1842
+  555SOL     OW 3236   0.516   1.228   3.081  0.4831  0.1647  0.2306
+  555SOL    HW1 3237   0.575   1.183   3.021  0.3655  0.5137 -0.1505
+  555SOL    HW2 3238   0.560   1.311   3.100  0.5875 -0.0034  0.7413
+  556SOL     OW 3239   7.985   0.259   4.397 -0.4149  0.2214  0.3491
+  556SOL    HW1 3240   8.080   0.273   4.393 -0.3036 -0.3372  0.9406
+  556SOL    HW2 3241   7.955   0.271   4.307  0.3074 -0.2323  0.0457
+  557SOL     OW 3242   7.128   0.098   3.897 -0.3213  0.2779 -0.3862
+  557SOL    HW1 3243   7.143   0.192   3.907  0.6945 -0.0592  1.3849
+  557SOL    HW2 3244   7.033   0.088   3.907 -0.3084  0.9898  0.4529
+  558SOL     OW 3245   6.108   1.563   3.526  0.6110 -0.1688 -0.5404
+  558SOL    HW1 3246   6.201   1.575   3.547  0.2037 -0.8438  1.7742
+  558SOL    HW2 3247   6.096   1.468   3.527 -0.2773 -0.0537 -0.0979
+  559SOL     OW 3248   1.950   0.918   1.339  1.0959  0.0205  0.5599
+  559SOL    HW1 3249   1.891   0.899   1.267  1.1776 -0.1787  0.5422
+  559SOL    HW2 3250   1.999   0.836   1.351  2.0452  0.4843 -0.0600
+  560SOL     OW 3251   0.871   1.360   3.277  0.5859 -0.0311  0.0603
+  560SOL    HW1 3252   0.906   1.311   3.351  1.1179  0.1547 -0.0644
+  560SOL    HW2 3253   0.837   1.441   3.315 -0.3159 -0.5088  0.2689
+  561SOL     OW 3254   0.312   1.395   4.560 -0.0013 -0.1367 -1.0102
+  561SOL    HW1 3255   0.240   1.341   4.593 -1.2528  0.9557 -1.8963
+  561SOL    HW2 3256   0.387   1.369   4.613 -0.6682 -2.4272 -1.1182
+  562SOL     OW 3257   1.136   0.867   3.167  0.2876  0.3689 -0.0475
+  562SOL    HW1 3258   1.144   0.839   3.076  0.1174  1.4348 -0.4035
+  562SOL    HW2 3259   1.044   0.892   3.176 -0.2020 -1.7139  1.0156
+  563SOL     OW 3260   1.775   1.947   1.663  0.8687 -0.4733  0.7868
+  563SOL    HW1 3261   1.805   1.883   1.598  1.2422  1.0587 -0.5970
+  563SOL    HW2 3262   1.769   2.029   1.614  0.0137  0.4670  2.4349
+  564SOL     OW 3263   7.536   2.489   2.895 -0.1597 -0.2151 -0.3378
+  564SOL    HW1 3264   7.467   2.492   2.828 -1.5486 -2.6617  0.9007
+  564SOL    HW2 3265   7.499   2.433   2.964  1.3373  2.0384  2.3618
+  565SOL     OW 3266   1.066   0.762   2.672  0.2349  0.3930  0.4121
+  565SOL    HW1 3267   1.142   0.821   2.674  0.4419  0.2706 -1.8964
+  565SOL    HW2 3268   1.101   0.679   2.639 -0.8883  0.3547 -0.7271
+  566SOL     OW 3269   2.315   2.877   3.512  0.2460 -0.0565  0.1619
+  566SOL    HW1 3270   2.359   2.906   3.593 -0.3183 -0.7744  0.7329
+  566SOL    HW2 3271   2.348   2.788   3.498 -0.1098 -0.1485 -0.0709
+  567SOL     OW 3272   7.685   0.966   4.810 -0.0524 -0.0403 -0.2893
+  567SOL    HW1 3273   7.780   0.971   4.809 -0.0667 -0.0844 -1.8427
+  567SOL    HW2 3274   7.665   0.889   4.864  0.6682  2.2891  3.5163
+  568SOL     OW 3275   0.822   1.017   3.483 -1.1165  0.1501  0.4869
+  568SOL    HW1 3276   0.803   0.924   3.467  1.5794 -0.3988  0.2096
+  568SOL    HW2 3277   0.869   1.046   3.404 -0.4373  1.2736  1.2850
+  569SOL     OW 3278   1.370   7.401   4.247 -0.0439  0.8035  0.2609
+  569SOL    HW1 3279   1.321   7.451   4.313  1.0462  0.7988  1.0906
+  569SOL    HW2 3280   1.454   7.446   4.241  0.5756 -0.3295  0.2757
+  570SOL     OW 3281   0.724   7.176   3.275 -0.6983  0.4809  0.4683
+  570SOL    HW1 3282   0.742   7.235   3.348 -1.4603  1.1955  0.0878
+  570SOL    HW2 3283   0.746   7.227   3.197 -0.6775  0.0055  0.1588
+  571SOL     OW 3284   0.697   7.396   4.315  0.0114 -0.0983  0.4766
+  571SOL    HW1 3285   0.605   7.400   4.290 -0.0189  4.2187  0.8621
+  571SOL    HW2 3286   0.742   7.450   4.250  2.0098 -0.6015  1.3975
+  572SOL     OW 3287   6.724   1.177   0.706  0.2441  0.7517 -0.4577
+  572SOL    HW1 3288   6.702   1.174   0.799  1.8205  0.2784 -0.0877
+  572SOL    HW2 3289   6.774   1.096   0.690  0.2804  0.9959 -1.6324
+  573SOL     OW 3290   0.360   1.151   1.776 -0.0977  0.1412 -0.0062
+  573SOL    HW1 3291   0.373   1.201   1.695 -1.7650 -0.8054 -0.8826
+  573SOL    HW2 3292   0.267   1.133   1.778  0.4757 -3.0432  0.2225
+  574SOL     OW 3293   0.804   7.627   1.743 -0.3664  0.2367 -0.2095
+  574SOL    HW1 3294   0.817   7.548   1.795 -1.4694  0.5899  0.6196
+  574SOL    HW2 3295   0.772   7.693   1.805 -2.6042  0.3977 -1.4719
+  575SOL     OW 3296   2.725   1.200   3.834  0.1184 -0.0585  0.3349
+  575SOL    HW1 3297   2.719   1.270   3.899 -0.0965  0.7591 -0.5439
+  575SOL    HW2 3298   2.640   1.156   3.838  0.4959 -0.7030  1.3609
+  576SOL     OW 3299   7.775   7.455   1.302 -0.3733 -0.1325 -0.3218
+  576SOL    HW1 3300   7.754   7.368   1.336 -1.6491  0.6534  0.9988
+  576SOL    HW2 3301   7.844   7.487   1.360  0.6699 -0.5698 -1.3058
+  577SOL     OW 3302   6.959   7.720   1.955  0.0863 -0.5487  0.0917
+  577SOL    HW1 3303   7.030   7.701   1.893  0.9527 -0.1978  0.9450
+  577SOL    HW2 3304   6.940   7.636   1.997 -0.8927 -0.9009 -1.0409
+  578SOL     OW 3305   2.497   2.456   3.741  0.0063  0.1371  0.3486
+  578SOL    HW1 3306   2.589   2.432   3.736  0.1928  1.0569 -0.6342
+  578SOL    HW2 3307   2.471   2.432   3.830  1.3444  0.4244  0.8285
+  579SOL     OW 3308   7.143   2.909   3.187 -0.2140 -0.1673  0.3560
+  579SOL    HW1 3309   7.127   2.923   3.280  3.0281  2.2448  0.6444
+  579SOL    HW2 3310   7.074   2.959   3.143 -0.5265  0.3767  1.4429
+  580SOL     OW 3311   0.807   7.935   2.852  0.1792 -0.5091  0.1407
+  580SOL    HW1 3312   0.764   7.906   2.772  2.4244  1.1183 -1.7422
+  580SOL    HW2 3313   0.857   7.859   2.882  0.1604 -0.8186 -0.6025
+  581SOL     OW 3314   1.401   0.605   2.349  0.2425  0.2181  0.4273
+  581SOL    HW1 3315   1.353   0.674   2.396 -0.3552  0.1730 -0.1010
+  581SOL    HW2 3316   1.441   0.651   2.275 -1.7401 -0.3319 -1.0131
+  582SOL     OW 3317   0.552   7.986   3.003  0.1502  0.0406  0.0491
+  582SOL    HW1 3318   0.528   7.922   2.935 -0.0544 -0.3102  0.4511
+  582SOL    HW2 3319   0.647   7.988   3.001  0.2115 -1.3775  1.0497
+  583SOL     OW 3320   1.147   0.288   4.797 -0.6109  0.5058  0.4471
+  583SOL    HW1 3321   1.230   0.274   4.752 -0.4992  0.3572  0.6966
+  583SOL    HW2 3322   1.081   0.290   4.728 -0.7140 -1.8466  0.4357
+  584SOL     OW 3323   0.243   2.073   3.311  0.0715 -0.1801 -0.0188
+  584SOL    HW1 3324   0.236   2.032   3.224  0.7699 -1.9789  0.7514
+  584SOL    HW2 3325   0.332   2.108   3.314  0.3043 -0.7857  0.2468
+  585SOL     OW 3326   0.501   0.884   4.720  0.3176 -0.0604 -0.4970
+  585SOL    HW1 3327   0.567   0.852   4.659  1.6041 -1.1540  1.4114
+  585SOL    HW2 3328   0.550   0.909   4.798 -1.0107  3.7390 -0.7768
+  586SOL     OW 3329   4.035   2.414   2.786 -0.0065  0.4115  0.3968
+  586SOL    HW1 3330   4.017   2.361   2.708  1.8414  0.6489 -0.2131
+  586SOL    HW2 3331   4.117   2.458   2.766  0.2525  0.8188  2.3155
+  587SOL     OW 3332   1.248   7.575   3.220 -0.4035  0.0321  0.4463
+  587SOL    HW1 3333   1.327   7.619   3.189 -0.6847 -0.3231 -0.8118
+  587SOL    HW2 3334   1.206   7.541   3.140  0.5800 -3.8456  1.4582
+  588SOL     OW 3335   1.310   6.745   2.258  0.1056  0.0482  0.1059
+  588SOL    HW1 3336   1.239   6.715   2.315 -0.5005  1.1733 -0.0616
+  588SOL    HW2 3337   1.367   6.795   2.316 -1.1266  2.1906 -0.5117
+  589SOL     OW 3338   2.391   3.155   2.056 -0.6498  0.1915 -0.2693
+  589SOL    HW1 3339   2.371   3.102   1.979 -2.1281 -0.7816  0.7709
+  589SOL    HW2 3340   2.410   3.092   2.125 -1.2353  1.0220  0.6598
+  590SOL     OW 3341   1.740   0.559   3.601 -0.4783 -0.0394 -0.1907
+  590SOL    HW1 3342   1.646   0.571   3.591 -0.3651 -0.0863 -1.4710
+  590SOL    HW2 3343   1.768   0.633   3.655 -1.3084 -0.2588  0.5412
+  591SOL     OW 3344   7.399   1.532   2.061 -0.5065  0.2066 -0.3156
+  591SOL    HW1 3345   7.470   1.526   1.997  0.7297 -0.5263  1.0860
+  591SOL    HW2 3346   7.441   1.567   2.140 -1.3469 -1.7102  1.0176
+  592SOL     OW 3347   7.096   5.649   3.581 -0.2624 -0.4108  0.1881
+  592SOL    HW1 3348   7.161   5.612   3.641  2.7340  3.1189 -0.7057
+  592SOL    HW2 3349   7.056   5.720   3.630  0.1771  0.6778 -1.0171
+  593SOL     OW 3350   0.220   0.696   2.074  0.0529 -0.2830 -0.0441
+  593SOL    HW1 3351   0.196   0.751   1.999  0.8682  1.1007  0.7054
+  593SOL    HW2 3352   0.147   0.705   2.135  0.2236  0.0260  0.1134
+  594SOL     OW 3353   0.667   0.321   3.846  0.0587 -0.2602 -1.0877
+  594SOL    HW1 3354   0.686   0.295   3.756 -1.6462  1.1009 -1.8753
+  594SOL    HW2 3355   0.664   0.417   3.843  1.8325 -0.0862  0.8244
+  595SOL     OW 3356   3.349   2.462   4.291 -0.1876  0.7519 -0.0716
+  595SOL    HW1 3357   3.301   2.510   4.223  1.2549  2.1321 -0.1294
+  595SOL    HW2 3358   3.293   2.470   4.368  0.0736  2.6299 -0.0557
+  596SOL     OW 3359   0.482   7.011   3.320  0.0517 -0.3074  0.3769
+  596SOL    HW1 3360   0.436   6.964   3.251 -0.3016 -0.0676  0.4450
+  596SOL    HW2 3361   0.574   6.986   3.310  0.1990  0.7269 -0.9844
+  597SOL     OW 3362   0.017   1.920   4.803 -0.8379  0.5951 -0.3398
+  597SOL    HW1 3363   0.022   2.012   4.777 -1.2440  1.0646  1.1919
+  597SOL    HW2 3364  -0.044   1.919   4.877 -0.9176 -0.9249 -0.4052
+  598SOL     OW 3365   4.111   1.031   2.173  0.3947 -0.1375 -0.0796
+  598SOL    HW1 3366   4.173   0.972   2.215  1.0346  1.0429  0.6665
+  598SOL    HW2 3367   4.156   1.062   2.095 -0.3360 -1.4039 -1.0345
+  599SOL     OW 3368   0.544   2.101   4.844  0.3943 -0.9250 -0.4433
+  599SOL    HW1 3369   0.454   2.133   4.840  0.6428 -0.1832 -0.2085
+  599SOL    HW2 3370   0.545   2.040   4.917  0.3053 -0.1739  0.2006
+  600SOL     OW 3371   1.355   7.602   2.295 -0.1790 -0.0936  0.0958
+  600SOL    HW1 3372   1.326   7.511   2.299  0.6612 -0.4542 -1.5365
+  600SOL    HW2 3373   1.350   7.625   2.202  1.3922  0.9235  0.2330
+  601SOL     OW 3374   0.285   7.660   3.942  0.8659  0.3734 -0.2894
+  601SOL    HW1 3375   0.207   7.704   3.910  1.8386  2.2976 -0.0737
+  601SOL    HW2 3376   0.328   7.626   3.863  1.9914  2.9875 -0.8562
+  602SOL     OW 3377   7.808   6.888   2.735 -0.9613  1.1862 -0.1407
+  602SOL    HW1 3378   7.734   6.828   2.724 -2.3836  2.5057  1.8331
+  602SOL    HW2 3379   7.792   6.957   2.671 -1.5014  1.4984  0.3183
+  603SOL     OW 3380   1.179   6.933   3.526 -0.2075  0.5312  0.5895
+  603SOL    HW1 3381   1.107   6.904   3.470  0.6651 -1.2539  0.3386
+  603SOL    HW2 3382   1.217   7.008   3.480 -1.4529  1.0324  0.3652
+  604SOL     OW 3383   7.837   1.145   3.639  0.5237  0.2025  0.2684
+  604SOL    HW1 3384   7.751   1.109   3.663  0.8889 -0.4902  0.5595
+  604SOL    HW2 3385   7.821   1.238   3.628  0.2660  0.5258  2.9215
+  605SOL     OW 3386   7.842   3.759   4.264 -0.0920  0.1000  0.0335
+  605SOL    HW1 3387   7.933   3.789   4.267 -0.3125  1.0706 -1.8983
+  605SOL    HW2 3388   7.843   3.684   4.205 -0.6521  0.5900 -0.6125
+  606SOL     OW 3389   1.628   1.769   2.990  0.4978  0.2818  0.4989
+  606SOL    HW1 3390   1.636   1.848   3.043  0.2481  0.7436 -0.1437
+  606SOL    HW2 3391   1.536   1.767   2.964  0.8084  0.5399 -0.6536
+  607SOL     OW 3392   1.002   1.672   2.827  0.1892  0.7714  0.3767
+  607SOL    HW1 3393   0.931   1.675   2.763 -0.2393  1.2604  0.8640
+  607SOL    HW2 3394   1.060   1.744   2.802  0.5125  0.3750 -0.0183
+  608SOL     OW 3395   7.777   1.209   6.096  0.8308  0.3131  0.0626
+  608SOL    HW1 3396   7.833   1.136   6.124  0.1558  0.2702  1.3769
+  608SOL    HW2 3397   7.825   1.251   6.026  2.5615  0.3300  1.2223
+  609SOL     OW 3398   0.525   0.961   3.605  0.3118  0.3944 -0.6120
+  609SOL    HW1 3399   0.612   0.982   3.572  0.3272  0.0986 -0.7607
+  609SOL    HW2 3400   0.493   0.892   3.546  0.0259  0.4208 -0.4883
+  610SOL     OW 3401   0.079   7.825   3.639  0.5038 -0.3448  0.0344
+  610SOL    HW1 3402   0.102   7.735   3.616  1.9465  0.1524 -0.5621
+  610SOL    HW2 3403   0.070   7.825   3.734 -0.5894 -1.3463 -0.0571
+  611SOL     OW 3404   0.216   0.436   1.889  0.1788  0.5722 -0.7965
+  611SOL    HW1 3405   0.218   0.506   1.954 -0.7975 -0.4852  0.4285
+  611SOL    HW2 3406   0.147   0.461   1.828  0.3532  1.0526 -0.7925
+  612SOL     OW 3407   0.790   1.965   1.684 -0.3642 -0.0901  0.3919
+  612SOL    HW1 3408   0.722   1.988   1.747  1.1060  1.0832  1.5909
+  612SOL    HW2 3409   0.742   1.942   1.604 -2.1473  0.8917  1.1483
+  613SOL     OW 3410   3.294   0.191   1.172  0.1783  0.1837 -0.6232
+  613SOL    HW1 3411   3.301   0.122   1.106 -0.2578  0.8691 -1.3883
+  613SOL    HW2 3412   3.200   0.212   1.175 -0.1486 -1.3626  1.7852
+  614SOL     OW 3413   2.221   7.487   0.972  0.1164  0.1243  0.1012
+  614SOL    HW1 3414   2.177   7.408   1.003 -0.2809  0.1955 -0.2834
+  614SOL    HW2 3415   2.299   7.493   1.027 -0.4627  0.1184  0.9308
+  615SOL     OW 3416   0.204   1.016   2.786  0.2614  0.0644  0.7399
+  615SOL    HW1 3417   0.215   1.097   2.837 -0.4076 -0.1518  1.2354
+  615SOL    HW2 3418   0.147   0.962   2.840  1.3649 -1.0773  0.7956
+  616SOL     OW 3419   1.546   1.364   1.583  0.5478  0.5399 -0.3340
+  616SOL    HW1 3420   1.600   1.356   1.661  1.6851  0.8824 -1.0685
+  616SOL    HW2 3421   1.458   1.381   1.616  0.5944 -1.4932  0.9167
+  617SOL     OW 3422   1.356   7.088   0.839  0.2000  0.0502  0.4286
+  617SOL    HW1 3423   1.289   7.026   0.867  0.9252 -1.0749 -0.3090
+  617SOL    HW2 3424   1.306   7.165   0.810 -0.7527 -0.6198  0.2608
+  618SOL     OW 3425   1.537   1.105   1.482  0.8831 -0.4040 -0.0411
+  618SOL    HW1 3426   1.513   1.110   1.390  0.0890  1.0606  0.2173
+  618SOL    HW2 3427   1.549   1.197   1.508 -1.9182 -0.5866  2.0638
+  619SOL     OW 3428   1.050   1.501   4.811  0.0102  0.3884 -0.2113
+  619SOL    HW1 3429   0.966   1.456   4.799 -0.4040  1.4978 -1.6809
+  619SOL    HW2 3430   1.064   1.501   4.905 -1.5355 -0.0229  0.0319
+  620SOL     OW 3431   0.564   1.033   2.700 -0.7572 -0.9657  0.2451
+  620SOL    HW1 3432   0.590   1.023   2.608 -0.2601 -0.2682  0.3072
+  620SOL    HW2 3433   0.558   1.128   2.713  1.2867 -0.9803  1.5250
+  621SOL     OW 3434   2.446   2.301   3.963 -0.6339  0.2512  0.1020
+  621SOL    HW1 3435   2.529   2.323   4.005 -0.4755  0.7950 -0.4852
+  621SOL    HW2 3436   2.452   2.207   3.946 -0.2753  0.2259  0.3596
+  622SOL     OW 3437   2.557   2.165   3.284 -0.1622 -0.5886 -0.0661
+  622SOL    HW1 3438   2.505   2.205   3.354  0.5240 -0.4756  0.3843
+  622SOL    HW2 3439   2.575   2.236   3.223  0.3329 -0.3954  0.3009
+  623SOL     OW 3440   1.259   0.797   3.426  0.3170 -0.0588 -0.2158
+  623SOL    HW1 3441   1.196   0.808   3.497 -1.2636  1.7452 -1.8446
+  623SOL    HW2 3442   1.207   0.803   3.346  2.3045 -0.3226 -1.5720
+  624SOL     OW 3443   1.020   1.390   4.268  0.3914 -0.0444  0.1774
+  624SOL    HW1 3444   1.059   1.441   4.197 -0.5096  1.4057  0.6998
+  624SOL    HW2 3445   0.985   1.312   4.226  0.7167  0.3499 -0.8294
+  625SOL     OW 3446   7.728   1.736   1.073  0.1934  1.0085 -0.2196
+  625SOL    HW1 3447   7.699   1.763   1.160 -0.7555 -0.7581  0.0413
+  625SOL    HW2 3448   7.797   1.673   1.089 -1.4573 -0.9703 -0.6659
+  626SOL     OW 3449   0.411   1.915   5.003  0.4492  0.0446  0.3861
+  626SOL    HW1 3450   0.333   1.864   4.978  0.6270  0.7222 -1.6462
+  626SOL    HW2 3451   0.482   1.851   5.003  0.3244 -0.0964 -0.1998
+  627SOL     OW 3452   1.179   0.877   1.514  0.3062 -0.0423  0.0433
+  627SOL    HW1 3453   1.198   0.876   1.420  1.9613  1.6137  0.3318
+  627SOL    HW2 3454   1.116   0.947   1.526  1.3748  0.8762  0.3777
+  628SOL     OW 3455   7.273   1.434   3.702  0.0482  0.0145 -0.8093
+  628SOL    HW1 3456   7.250   1.524   3.679  0.9719  0.8694  1.4502
+  628SOL    HW2 3457   7.195   1.400   3.747  0.6987  0.6686  0.8659
+  629SOL     OW 3458   1.098   2.234   1.133  0.0711  0.0284  0.3068
+  629SOL    HW1 3459   1.189   2.258   1.121 -0.1088  0.7813  0.4460
+  629SOL    HW2 3460   1.049   2.295   1.077 -0.3298 -0.5228  0.0473
+  630SOL     OW 3461   0.434   7.420   4.677 -0.4089 -0.4364  0.6581
+  630SOL    HW1 3462   0.458   7.369   4.754  0.2694  0.7910  1.2733
+  630SOL    HW2 3463   0.511   7.415   4.620 -0.2234  0.1631  0.8571
+  631SOL     OW 3464   1.085   0.922   2.281  0.3883  0.0466  0.0728
+  631SOL    HW1 3465   1.165   0.891   2.323  0.8342  2.3486  1.0031
+  631SOL    HW2 3466   1.108   1.008   2.246 -1.1172 -0.1456 -1.4283
+  632SOL     OW 3467   0.553   1.967   2.859 -0.7060 -0.1207 -0.4627
+  632SOL    HW1 3468   0.618   2.009   2.803 -0.3008  0.5740  0.5215
+  632SOL    HW2 3469   0.604   1.919   2.924 -1.1718 -1.3307 -0.9640
+  633SOL     OW 3470   0.053   0.882   2.976 -0.0622 -0.7848  0.1162
+  633SOL    HW1 3471   0.035   0.790   2.957 -2.8573  0.0415 -1.4412
+  633SOL    HW2 3472   0.004   0.900   3.056  0.2970 -0.5535  0.2876
+  634SOL     OW 3473   7.598   2.124   3.139 -0.3848 -0.0430  0.2743
+  634SOL    HW1 3474   7.545   2.105   3.216  0.0776 -0.6311  0.4544
+  634SOL    HW2 3475   7.590   2.045   3.085 -0.2882  0.1612 -0.0403
+  635SOL     OW 3476   1.814   7.937   3.935  0.0377 -0.3054  0.6049
+  635SOL    HW1 3477   1.759   7.901   4.004 -0.0359  0.9237  1.1977
+  635SOL    HW2 3478   1.902   7.940   3.974 -0.1630  1.2064  0.9563
+  636SOL     OW 3479   0.640   1.433   4.637 -0.9862 -0.2438  0.2672
+  636SOL    HW1 3480   0.625   1.339   4.632 -0.6500 -0.3652  1.4466
+  636SOL    HW2 3481   0.671   1.457   4.550  0.5640 -1.5212  0.4415
+  637SOL     OW 3482   2.284   1.510   4.945 -0.2679  0.5521  0.6246
+  637SOL    HW1 3483   2.197   1.486   4.913 -0.0423  1.8046 -0.9432
+  637SOL    HW2 3484   2.332   1.427   4.946 -0.8328  0.1962 -0.5705
+  638SOL     OW 3485   7.460   1.507   2.845  0.2740  0.2554 -0.0438
+  638SOL    HW1 3486   7.425   1.587   2.885 -0.7065 -1.1551  1.9670
+  638SOL    HW2 3487   7.387   1.471   2.795  1.0002  1.0997 -1.7656
+  639SOL     OW 3488   6.609   4.465   0.474 -0.2286 -0.1108  0.3268
+  639SOL    HW1 3489   6.699   4.488   0.498 -0.0579  0.0910 -0.4715
+  639SOL    HW2 3490   6.570   4.430   0.554  0.2587  0.7050  0.9222
+  640SOL     OW 3491   1.392   0.337   2.445 -0.2224  0.3569  0.1625
+  640SOL    HW1 3492   1.351   0.295   2.369  0.6845  1.1918 -0.8169
+  640SOL    HW2 3493   1.368   0.429   2.436  0.3261  0.5431  0.6116
+  641SOL     OW 3494   0.145   1.728   3.655  0.1264  0.3284  0.5645
+  641SOL    HW1 3495   0.148   1.663   3.586 -0.9137  1.6587 -0.7772
+  641SOL    HW2 3496   0.052   1.739   3.674  0.3777  0.2738  1.9079
+  642SOL     OW 3497   0.668   0.714   4.000  0.4334 -0.1161  0.2023
+  642SOL    HW1 3498   0.622   0.786   4.042  0.4398 -0.4034  0.7029
+  642SOL    HW2 3499   0.685   0.652   4.070  1.9250  0.1553  0.1017
+  643SOL     OW 3500   1.956   1.365   4.170 -0.1432  0.7973 -0.0119
+  643SOL    HW1 3501   1.981   1.453   4.141  0.2304  0.0566 -1.9970
+  643SOL    HW2 3502   2.032   1.311   4.151 -1.0398 -0.3146 -0.4849
+  644SOL     OW 3503   7.918   1.114   2.042  0.4809  0.2380 -0.1731
+  644SOL    HW1 3504   8.004   1.133   2.004  0.6939  0.4333  0.4053
+  644SOL    HW2 3505   7.879   1.200   2.058  0.9651  0.2005  1.3423
+  645SOL     OW 3506   2.733   1.896   4.098  0.1969  0.3563  0.5676
+  645SOL    HW1 3507   2.740   1.905   4.003 -2.0849 -2.0695  0.0864
+  645SOL    HW2 3508   2.762   1.806   4.115 -1.0458  0.2120  1.9742
+  646SOL     OW 3509   7.588   7.910   3.743 -0.3350  0.2857 -0.3637
+  646SOL    HW1 3510   7.603   7.944   3.832 -0.9174  0.0077 -0.1558
+  646SOL    HW2 3511   7.548   7.824   3.757 -1.3986  0.6820 -0.8835
+  647SOL     OW 3512   1.422   7.690   1.655 -0.4524 -0.6963 -0.5959
+  647SOL    HW1 3513   1.348   7.746   1.633 -0.9239 -0.7750  0.7464
+  647SOL    HW2 3514   1.497   7.749   1.661 -0.6622 -0.4276 -0.6422
+  648SOL     OW 3515   1.362   7.283   1.089  0.6836  0.5870  0.6251
+  648SOL    HW1 3516   1.446   7.244   1.067 -0.0857  0.4950 -2.3320
+  648SOL    HW2 3517   1.330   7.321   1.007 -2.5746 -0.1464  1.4593
+  649SOL     OW 3518   0.543   0.583   3.790 -0.3919  0.4067  0.2307
+  649SOL    HW1 3519   0.587   0.646   3.846 -1.4009  1.4898 -0.1675
+  649SOL    HW2 3520   0.457   0.572   3.830  0.1964 -1.6724  0.9934
+  650SOL     OW 3521   1.620   1.694   2.716 -0.3823  0.3332  0.2726
+  650SOL    HW1 3522   1.564   1.772   2.714 -0.7852  0.0683  1.0374
+  650SOL    HW2 3523   1.668   1.701   2.798  1.1008  0.8178 -0.6154
+  651SOL     OW 3524   1.500   1.581   3.669 -0.3014  0.5920  0.3939
+  651SOL    HW1 3525   1.420   1.617   3.707 -0.8647 -1.3786  1.1451
+  651SOL    HW2 3526   1.517   1.502   3.720  1.1269  0.0238 -0.9262
+  652SOL     OW 3527   7.433   6.077   1.025  0.3625  0.0224 -0.1294
+  652SOL    HW1 3528   7.485   5.997   1.024  0.1723 -0.1081  0.4425
+  652SOL    HW2 3529   7.368   6.064   0.955  1.7007  0.5980 -1.5112
+  653SOL     OW 3530   2.732   7.497   0.987  0.1188  0.1528 -0.1127
+  653SOL    HW1 3531   2.639   7.512   1.003 -0.0729  0.8569 -1.8134
+  653SOL    HW2 3532   2.774   7.577   1.017 -0.1462  1.0871 -2.1654
+  654SOL     OW 3533   0.657   1.938   3.416 -0.1350  0.0284  0.7204
+  654SOL    HW1 3534   0.694   1.929   3.328 -0.8103 -0.4065  0.4804
+  654SOL    HW2 3535   0.648   2.032   3.429  1.6430  0.1690  1.0257
+  655SOL     OW 3536   6.445   0.340   1.349  0.2435 -0.2094 -0.0084
+  655SOL    HW1 3537   6.490   0.404   1.292 -0.6097 -0.1826 -0.6574
+  655SOL    HW2 3538   6.413   0.273   1.288 -2.0214  0.6042  0.2498
+  656SOL     OW 3539   1.908   7.158   2.288  0.0762 -0.1737  0.3836
+  656SOL    HW1 3540   1.844   7.130   2.353 -1.0742 -0.1596 -0.7148
+  656SOL    HW2 3541   1.955   7.078   2.265 -1.1499 -0.6641 -0.5136
+  657SOL     OW 3542   1.756   0.692   2.515 -0.8092 -0.0769  0.2610
+  657SOL    HW1 3543   1.751   0.619   2.453 -0.7515  0.1772 -0.0437
+  657SOL    HW2 3544   1.794   0.654   2.594 -1.8030 -0.6206  0.4815
+  658SOL     OW 3545   1.883   1.008   3.295  0.0716  0.1852 -0.1031
+  658SOL    HW1 3546   1.898   1.087   3.346 -0.6088 -0.0295  0.4354
+  658SOL    HW2 3547   1.840   0.948   3.356 -0.1105 -0.3244 -0.7315
+  659SOL     OW 3548   6.045   1.716   1.780 -0.2746 -0.2899  0.0792
+  659SOL    HW1 3549   6.033   1.791   1.721 -0.6296  0.4860  1.1311
+  659SOL    HW2 3550   6.107   1.660   1.734 -0.4727  0.3462 -1.0003
+  660SOL     OW 3551   7.832   2.063   1.654  0.1660  0.0887 -0.3228
+  660SOL    HW1 3552   7.797   2.149   1.677 -0.4646  0.2207 -1.7010
+  660SOL    HW2 3553   7.776   2.001   1.701  0.6165  0.4202  0.6628
+  661SOL     OW 3554   7.966   0.527   3.985 -0.0633 -0.3436  0.0727
+  661SOL    HW1 3555   7.960   0.482   3.901 -0.1048 -1.2571  0.5528
+  661SOL    HW2 3556   7.997   0.615   3.963  0.9714 -0.9051 -0.7938
+  662SOL     OW 3557   0.927   0.072   5.178 -0.8460 -0.2653  0.3382
+  662SOL    HW1 3558   0.936   0.082   5.083 -1.4356 -1.4215  0.1533
+  662SOL    HW2 3559   1.004   0.116   5.214  1.1638 -2.7227 -0.8308
+  663SOL     OW 3560   7.967   1.473   6.196 -0.2054 -0.3014  0.7406
+  663SOL    HW1 3561   8.005   1.558   6.175  0.2558 -0.8916 -0.9202
+  663SOL    HW2 3562   7.939   1.438   6.111  1.0890 -2.4829  1.1756
+  664SOL     OW 3563   7.820   0.881   2.217 -0.2553 -0.2692  0.4140
+  664SOL    HW1 3564   7.847   0.886   2.125 -2.0861 -1.8752 -0.2386
+  664SOL    HW2 3565   7.858   0.959   2.257  0.2866  0.6347 -1.7765
+  665SOL     OW 3566   1.388   1.969   3.426  0.0353 -0.0040 -0.3121
+  665SOL    HW1 3567   1.362   1.944   3.515  1.2219  0.1970  0.0901
+  665SOL    HW2 3568   1.378   2.065   3.424 -1.2432 -0.1343 -0.8084
+  666SOL     OW 3569   1.288   7.330   2.344  0.8049  0.2356  0.5518
+  666SOL    HW1 3570   1.251   7.253   2.300  1.6347 -0.7505  1.5629
+  666SOL    HW2 3571   1.382   7.320   2.335  0.9291  1.0366  0.8802
+  667SOL     OW 3572   1.581   7.745   2.362 -0.2821 -0.3745  0.2774
+  667SOL    HW1 3573   1.496   7.709   2.338 -0.5311 -1.4741  2.7374
+  667SOL    HW2 3574   1.643   7.675   2.340 -0.0692  0.1178 -0.7462
+  668SOL     OW 3575   0.597   7.652   4.164  0.3346  0.0538 -0.0427
+  668SOL    HW1 3576   0.534   7.579   4.169  1.7713 -1.1600  0.7499
+  668SOL    HW2 3577   0.633   7.647   4.076 -0.6826  0.7774 -0.5127
+  669SOL     OW 3578   7.921   0.663   0.815 -0.0066  0.3766  0.6709
+  669SOL    HW1 3579   7.994   0.655   0.876 -0.2833 -0.0471  0.9435
+  669SOL    HW2 3580   7.890   0.753   0.827  1.1158  0.8811 -0.1804
+  670SOL     OW 3581   1.781   1.087   3.829 -0.2517 -0.0530  0.3492
+  670SOL    HW1 3582   1.810   1.178   3.818  0.9808 -0.5480 -0.6415
+  670SOL    HW2 3583   1.799   1.068   3.922  1.5253  0.0513  0.0494
+  671SOL     OW 3584   7.834   0.147   1.686  0.1374  0.1805 -0.2929
+  671SOL    HW1 3585   7.859   0.055   1.677 -0.6936 -0.0385 -0.4155
+  671SOL    HW2 3586   7.800   0.171   1.600 -1.8476 -0.0825  0.4004
+  672SOL     OW 3587   0.975   0.298   3.523  0.3225  0.1565 -0.0912
+  672SOL    HW1 3588   0.943   0.213   3.552 -0.9731  0.9848  0.9542
+  672SOL    HW2 3589   0.928   0.316   3.442  0.4242 -0.0144 -0.1882
+  673SOL     OW 3590   1.730   0.772   3.775  0.0091  0.5529  0.7175
+  673SOL    HW1 3591   1.759   0.854   3.735  0.4244  0.3402  0.5784
+  673SOL    HW2 3592   1.635   0.783   3.786 -0.0795  0.7037 -0.1253
+  674SOL     OW 3593   1.300   2.063   3.676  0.1228 -0.3736  0.6400
+  674SOL    HW1 3594   1.338   2.150   3.672  1.0744 -0.8717 -2.8827
+  674SOL    HW2 3595   1.207   2.077   3.660  0.6680 -0.1631 -2.7704
+  675SOL     OW 3596   2.077   1.482   2.698 -0.2634  0.6688 -0.1310
+  675SOL    HW1 3597   2.160   1.518   2.669 -1.0555  1.1960 -1.8114
+  675SOL    HW2 3598   2.079   1.490   2.793  0.2308  3.6690 -0.3670
+  676SOL     OW 3599   2.551   1.575   2.598  0.0969  0.0681 -0.4087
+  676SOL    HW1 3600   2.645   1.558   2.600  0.0267 -0.2470  1.2734
+  676SOL    HW2 3601   2.517   1.529   2.675 -1.5877 -0.7155 -1.5966
+  677SOL     OW 3602   0.646   1.738   4.461 -0.9227 -0.0883  0.1902
+  677SOL    HW1 3603   0.569   1.788   4.490 -2.3074 -2.0728  0.0670
+  677SOL    HW2 3604   0.609   1.666   4.409  1.1971  0.3494 -1.9788
+  678SOL     OW 3605   7.815   1.432   3.624 -0.3085 -0.1781  0.3810
+  678SOL    HW1 3606   7.728   1.418   3.587 -1.0021  0.2319  1.7950
+  678SOL    HW2 3607   7.810   1.518   3.666  1.3179  0.6145 -0.9978
+  679SOL     OW 3608   2.251   6.719   1.749 -0.5044 -0.3638  0.0274
+  679SOL    HW1 3609   2.329   6.679   1.711 -0.6194 -1.0326  0.4784
+  679SOL    HW2 3610   2.189   6.725   1.677 -0.2401 -0.3678 -0.1978
+  680SOL     OW 3611   2.073   2.616   2.346 -0.0693 -0.4835 -0.1731
+  680SOL    HW1 3612   2.136   2.649   2.282 -0.9332  0.2652 -0.6494
+  680SOL    HW2 3613   2.012   2.562   2.296 -1.3107  0.8796 -0.1737
+  681SOL     OW 3614   7.475   2.494   5.160 -0.0204 -0.2910 -0.0360
+  681SOL    HW1 3615   7.510   2.558   5.222  1.3383 -1.0396 -0.0123
+  681SOL    HW2 3616   7.403   2.539   5.117  0.4237  0.9855  0.5452
+  682SOL     OW 3617   7.936   2.016   1.087  0.2175 -0.0086  0.7329
+  682SOL    HW1 3618   7.857   1.962   1.077  1.2188 -1.2751 -0.6038
+  682SOL    HW2 3619   7.903   2.102   1.110 -1.5506 -0.6399  0.6554
+  683SOL     OW 3620   2.007   7.109   3.940 -0.9242  0.6282  0.0770
+  683SOL    HW1 3621   1.938   7.149   3.887  0.2460  1.5465 -0.7757
+  683SOL    HW2 3622   2.086   7.159   3.918  0.1807 -0.9440  0.4098
+  684SOL     OW 3623   0.938   1.722   3.353  0.5147 -0.3742 -0.0299
+  684SOL    HW1 3624   0.878   1.781   3.307 -0.0400  0.4692  1.7067
+  684SOL    HW2 3625   1.014   1.714   3.296  0.7480  2.3106 -0.1434
+  685SOL     OW 3626   0.853   0.990   3.198 -0.3433 -0.5002 -0.2835
+  685SOL    HW1 3627   0.867   1.062   3.136 -0.7606  1.3109  1.6636
+  685SOL    HW2 3628   0.758   0.979   3.200 -0.3410 -0.4630  0.1149
+  686SOL     OW 3629   7.346   2.163   3.522  0.5184  0.3220 -0.1342
+  686SOL    HW1 3630   7.366   2.254   3.542  1.2860 -0.3146  2.2307
+  686SOL    HW2 3631   7.318   2.125   3.606 -0.3386 -1.4754 -1.1875
+  687SOL     OW 3632   0.040   7.697   4.881 -0.8554 -0.3874  0.2653
+  687SOL    HW1 3633  -0.003   7.710   4.797 -0.3317  0.8505  0.1822
+  687SOL    HW2 3634   0.081   7.610   4.874  0.2224  0.2167 -1.2139
+  688SOL     OW 3635   2.252   2.170   3.126  0.1229 -0.0879 -0.1614
+  688SOL    HW1 3636   2.248   2.218   3.210 -0.8825 -1.9166  0.8720
+  688SOL    HW2 3637   2.314   2.099   3.142 -1.7938 -1.8191 -0.2081
+  689SOL     OW 3638   0.671   0.659   3.214 -0.1337  0.1847 -0.2043
+  689SOL    HW1 3639   0.632   0.746   3.205 -2.0238 -0.4902  1.3793
+  689SOL    HW2 3640   0.722   0.664   3.294  1.6915  0.5245 -1.3524
+  690SOL     OW 3641   7.351   7.738   0.833 -0.8342  0.4222 -0.2201
+  690SOL    HW1 3642   7.295   7.665   0.808 -0.8325  0.0236  0.9312
+  690SOL    HW2 3643   7.399   7.760   0.754 -1.5086 -0.2221 -0.8110
+  691SOL     OW 3644   0.914   0.240   2.299 -0.1616  0.4712  0.2136
+  691SOL    HW1 3645   0.958   0.319   2.330  0.2259 -0.0159  0.8998
+  691SOL    HW2 3646   0.824   0.249   2.331  0.5126 -0.5529  2.4215
+  692SOL     OW 3647   7.665   3.016   2.670 -0.2388 -0.3284  0.0295
+  692SOL    HW1 3648   7.696   2.958   2.601  1.1055 -1.9572  1.9452
+  692SOL    HW2 3649   7.586   3.057   2.633  0.7659 -0.7152 -2.6476
+  693SOL     OW 3650   0.529   7.935   4.127 -0.2284 -0.0845  0.3685
+  693SOL    HW1 3651   0.547   7.845   4.100 -1.4472 -0.2324  0.0412
+  693SOL    HW2 3652   0.436   7.935   4.152  0.1546  0.7060  1.8920
+  694SOL     OW 3653   1.518   0.801   0.777 -0.3071  0.9454 -0.1084
+  694SOL    HW1 3654   1.465   0.721   0.770  1.4118 -0.2547  0.2428
+  694SOL    HW2 3655   1.494   0.838   0.862 -1.6799  1.2373 -0.6052
+  695SOL     OW 3656   1.017   7.957   2.439  0.2667 -0.8206 -0.1398
+  695SOL    HW1 3657   1.003   7.996   2.353  1.2532  1.5915  0.7699
+  695SOL    HW2 3658   0.931   7.961   2.482 -0.2943 -2.2785 -1.0695
+  696SOL     OW 3659   7.746   1.456   2.379 -0.2636  0.4084 -0.2777
+  696SOL    HW1 3660   7.685   1.469   2.451 -0.3212 -1.2579 -0.0053
+  696SOL    HW2 3661   7.829   1.492   2.412 -0.9729  2.2922 -0.4972
+  697SOL     OW 3662   2.241   0.459   3.867  0.5300  0.4446  0.0152
+  697SOL    HW1 3663   2.174   0.404   3.826 -0.1062  0.9724  0.3405
+  697SOL    HW2 3664   2.262   0.414   3.948  0.0529  0.6501  0.2534
+  698SOL     OW 3665   6.822   1.625   2.476  0.1692 -0.4157  0.1208
+  698SOL    HW1 3666   6.824   1.705   2.423 -0.9757  1.8081  3.2111
+  698SOL    HW2 3667   6.913   1.597   2.481  0.9111  1.9467  0.6503
+  699SOL     OW 3668   0.169   0.109   2.484 -0.0924  0.0433  0.2643
+  699SOL    HW1 3669   0.221   0.112   2.404  0.9145 -1.1581  0.8497
+  699SOL    HW2 3670   0.141   0.199   2.499 -0.5138  0.2275 -1.5792
+  700SOL     OW 3671   7.686   0.697   3.127 -0.4014 -0.6114 -0.5429
+  700SOL    HW1 3672   7.764   0.753   3.126  0.2534 -1.4996 -0.4732
+  700SOL    HW2 3673   7.714   0.620   3.178 -1.3864 -0.8510 -0.3642
+  701SOL     OW 3674   7.880   1.124   3.141  0.4033 -0.5721 -0.3012
+  701SOL    HW1 3675   7.794   1.154   3.172 -0.1292 -0.0376 -2.2139
+  701SOL    HW2 3676   7.875   1.132   3.046  2.6362 -0.4029 -0.4275
+  702SOL     OW 3677   0.517   7.825   2.383  0.2996 -0.0101 -0.0069
+  702SOL    HW1 3678   0.535   7.732   2.393  0.2604  0.1416  1.5950
+  702SOL    HW2 3679   0.437   7.840   2.434 -0.6556  0.5850 -1.6317
+  703SOL     OW 3680   1.485   0.266   3.303 -0.1098 -0.3774 -0.3215
+  703SOL    HW1 3681   1.513   0.246   3.392 -0.4613 -0.4874 -0.2334
+  703SOL    HW2 3682   1.528   0.349   3.282 -0.6733  0.0688  0.2520
+  704SOL     OW 3683   0.511   7.711   1.624  0.6353 -0.0393 -0.3835
+  704SOL    HW1 3684   0.594   7.743   1.661  1.2083 -1.0620 -0.7638
+  704SOL    HW2 3685   0.486   7.639   1.682  0.3966 -0.2203 -0.7152
+  705SOL     OW 3686   7.350   1.488   3.139  0.3039 -0.1269  0.3244
+  705SOL    HW1 3687   7.258   1.463   3.151  0.0352  1.0547  0.7253
+  705SOL    HW2 3688   7.399   1.413   3.171 -0.5265 -1.5929 -1.6820
+  706SOL     OW 3689   1.061   3.198   1.567 -0.4502 -0.2972  0.1995
+  706SOL    HW1 3690   1.031   3.213   1.657  3.9055 -0.4104  1.7960
+  706SOL    HW2 3691   1.098   3.282   1.540  1.0102 -1.1034 -0.3407
+  707SOL     OW 3692   7.844   7.321   4.866 -0.1279 -0.3259  0.2833
+  707SOL    HW1 3693   7.863   7.228   4.853 -0.9985 -0.3390 -0.9134
+  707SOL    HW2 3694   7.750   7.329   4.850 -0.0774  0.7427  0.4823
+  708SOL     OW 3695   0.441   1.293   4.298 -0.4150  0.0498  0.1236
+  708SOL    HW1 3696   0.441   1.384   4.329  0.4720  1.0333 -2.6144
+  708SOL    HW2 3697   0.529   1.260   4.318  0.2876  0.8093 -1.5698
+  709SOL     OW 3698   0.303   1.401   3.600 -0.4419  0.1725  0.4242
+  709SOL    HW1 3699   0.227   1.446   3.563 -0.6627 -0.3193  0.2663
+  709SOL    HW2 3700   0.366   1.397   3.528 -0.8460 -0.7260  0.1047
+  710SOL     OW 3701   0.043   1.008   3.552 -0.0723  0.0646 -0.2267
+  710SOL    HW1 3702  -0.040   1.055   3.561  0.8861  1.3981  2.0519
+  710SOL    HW2 3703   0.110   1.077   3.553  1.1499 -1.0908 -0.5961
+  711SOL     OW 3704   2.581   0.878   2.874  0.1216 -0.2719 -0.2589
+  711SOL    HW1 3705   2.574   0.898   2.780  0.5309 -0.6104 -0.3674
+  711SOL    HW2 3706   2.675   0.862   2.887  0.3206  1.4653  0.5640
+  712SOL     OW 3707   0.061   0.535   4.761 -0.0457 -0.0898 -0.1091
+  712SOL    HW1 3708   0.134   0.578   4.717  0.8943  0.0862  1.5732
+  712SOL    HW2 3709   0.102   0.470   4.818 -1.0652  1.1176  2.0783
+  713SOL     OW 3710   0.369   0.054   2.289 -0.1822 -0.2667 -0.0666
+  713SOL    HW1 3711   0.463   0.074   2.287  0.1220 -1.6470 -0.3283
+  713SOL    HW2 3712   0.362  -0.030   2.245 -1.6279  0.0951 -0.5428
+  714SOL     OW 3713   7.316   7.544   5.566  0.6193  0.5587  0.5972
+  714SOL    HW1 3714   7.254   7.534   5.639  1.3921  0.2981  1.2190
+  714SOL    HW2 3715   7.262   7.576   5.494 -0.0558  1.3739  1.4488
+  715SOL     OW 3716   0.852   0.489   2.580  0.6050  0.2118 -0.1721
+  715SOL    HW1 3717   0.939   0.507   2.544  0.7080  0.5517  0.2325
+  715SOL    HW2 3718   0.865   0.412   2.636  1.0104  1.2455  1.1963
+  716SOL     OW 3719   6.335   2.177   2.597 -0.0027  0.0142  0.0177
+  716SOL    HW1 3720   6.380   2.125   2.664  0.1896  1.0577  0.7167
+  716SOL    HW2 3721   6.376   2.264   2.603 -1.0909  0.5610 -0.3575
+  717SOL     OW 3722   1.572   1.799   5.448 -0.2265  0.2494  0.3342
+  717SOL    HW1 3723   1.482   1.809   5.417  0.3897  1.0327 -1.2663
+  717SOL    HW2 3724   1.592   1.706   5.433  0.0328  0.5924 -1.6391
+  718SOL     OW 3725   7.631   4.181   2.572 -0.5983  0.2602  0.1510
+  718SOL    HW1 3726   7.613   4.173   2.478 -1.5274 -1.4170  0.4507
+  718SOL    HW2 3727   7.561   4.239   2.605 -0.4915  0.5468 -0.1292
+  719SOL     OW 3728   2.745   0.680   3.810  0.2619  0.2656 -0.1816
+  719SOL    HW1 3729   2.791   0.644   3.734  1.7660  0.7037  0.5000
+  719SOL    HW2 3730   2.652   0.670   3.789  0.6417  1.7230 -2.7311
+  720SOL     OW 3731   2.035   3.209   4.943  0.1193  0.5499 -0.1988
+  720SOL    HW1 3732   2.114   3.156   4.958 -1.1921 -1.1422  0.8916
+  720SOL    HW2 3733   2.000   3.177   4.860  0.7604  1.5741 -0.8835
+  721SOL     OW 3734   0.246   1.674   3.059 -0.2908 -0.0353  0.0061
+  721SOL    HW1 3735   0.159   1.635   3.068 -0.3517  0.1448  0.2017
+  721SOL    HW2 3736   0.278   1.681   3.149 -0.7878  1.5150  0.0784
+  722SOL     OW 3737   7.959   1.880   2.903 -0.3788 -0.0206 -0.1589
+  722SOL    HW1 3738   7.958   1.866   2.808  2.0476 -0.9027 -0.0886
+  722SOL    HW2 3739   8.041   1.927   2.919 -0.3792 -0.5892  1.5836
+  723SOL     OW 3740   0.550   1.674   3.460  0.0980 -0.8066 -0.2894
+  723SOL    HW1 3741   0.581   1.763   3.447 -0.9211 -0.5647 -1.1049
+  723SOL    HW2 3742   0.596   1.644   3.539  1.4671 -0.0476 -0.7767
+  724SOL     OW 3743   7.872   1.674   1.770  0.5993 -0.3695  0.5012
+  724SOL    HW1 3744   7.824   1.734   1.713  0.0448 -1.5159 -0.2548
+  724SOL    HW2 3745   7.842   1.695   1.858 -1.1161 -0.9029  0.0564
+  725SOL     OW 3746   1.639   3.338   3.441 -0.0723 -0.2538 -0.1725
+  725SOL    HW1 3747   1.693   3.268   3.405  1.1930  0.7952 -0.3385
+  725SOL    HW2 3748   1.577   3.293   3.499  1.1468 -1.4322  0.2403
+  726SOL     OW 3749   1.170   7.366   4.070 -0.1540 -0.2391  0.5422
+  726SOL    HW1 3750   1.240   7.356   4.135  1.9986 -0.7022 -1.7525
+  726SOL    HW2 3751   1.148   7.276   4.046  1.1424 -0.0701 -1.4381
+  727SOL     OW 3752   0.493   1.484   1.613  0.4668  0.3044 -0.1579
+  727SOL    HW1 3753   0.449   1.477   1.697  0.7447  1.2026  0.0734
+  727SOL    HW2 3754   0.496   1.395   1.579  1.7215 -0.2936  1.4860
+  728SOL     OW 3755   0.118   0.162   1.898 -0.6749  0.3904  0.4375
+  728SOL    HW1 3756   0.161   0.243   1.868  0.4222 -0.0542  0.7981
+  728SOL    HW2 3757   0.029   0.190   1.922 -0.6545  1.2832 -0.4895
+  729SOL     OW 3758   1.473   1.057   4.105 -0.0301 -0.2313 -0.4774
+  729SOL    HW1 3759   1.463   0.964   4.121 -1.0650  0.1122  1.0316
+  729SOL    HW2 3760   1.535   1.087   4.171  0.8096  0.0408 -1.3718
+  730SOL     OW 3761   0.314   1.947   1.616 -0.7204  0.2076 -0.1099
+  730SOL    HW1 3762   0.262   2.026   1.600 -0.8511  0.5811  1.9506
+  730SOL    HW2 3763   0.386   1.977   1.673  0.1526 -0.8446 -0.6313
+  731SOL     OW 3764   7.091   2.077   5.269  0.5724 -0.4812  0.1164
+  731SOL    HW1 3765   7.102   2.056   5.362 -0.6557 -0.0831  0.3625
+  731SOL    HW2 3766   7.162   2.029   5.226  0.9584 -0.9393  1.2216
+  732SOL     OW 3767   0.413   7.698   3.245  0.1024 -0.3981  0.4162
+  732SOL    HW1 3768   0.356   7.744   3.183 -0.7688 -0.5748  1.0823
+  732SOL    HW2 3769   0.406   7.606   3.219 -0.6658 -0.5333  1.0976
+  733SOL     OW 3770   2.625   0.546   2.465 -0.2924 -0.2924 -0.5760
+  733SOL    HW1 3771   2.627   0.641   2.455  1.3463 -0.1513  0.8490
+  733SOL    HW2 3772   2.549   0.518   2.415 -0.3336  1.6940 -1.6659
+  734SOL     OW 3773   2.541   7.494   2.143  0.2621 -0.3092 -0.7777
+  734SOL    HW1 3774   2.546   7.398   2.149 -0.7772 -0.3232 -0.0604
+  734SOL    HW2 3775   2.453   7.512   2.111  0.1444  0.4493 -0.0382
+  735SOL     OW 3776   7.814   0.880   1.939  0.1382 -0.1594  0.3744
+  735SOL    HW1 3777   7.767   0.957   1.972  0.4283 -0.3232  1.1813
+  735SOL    HW2 3778   7.868   0.915   1.868 -1.6083 -0.0689 -0.9535
+  736SOL     OW 3779   0.950   0.312   3.071 -0.7941 -0.4668 -0.7974
+  736SOL    HW1 3780   0.994   0.359   3.143 -1.5956 -0.8960 -0.0234
+  736SOL    HW2 3781   0.878   0.370   3.046 -1.0114 -0.6947 -0.6992
+  737SOL     OW 3782   6.320   1.348   3.453  0.3865  0.4763 -0.1423
+  737SOL    HW1 3783   6.264   1.272   3.435  1.5012 -0.1981 -0.7892
+  737SOL    HW2 3784   6.325   1.351   3.549 -1.7888  1.3225 -0.0158
+  738SOL     OW 3785   0.556   0.277   5.472  0.2397  0.2895 -0.2017
+  738SOL    HW1 3786   0.520   0.270   5.383 -3.2149  0.5187  1.1262
+  738SOL    HW2 3787   0.591   0.366   5.476  1.2891 -0.0362 -1.6317
+  739SOL     OW 3788   7.508   1.266   5.301 -0.2732 -0.2322 -0.4254
+  739SOL    HW1 3789   7.484   1.329   5.369 -1.0293  0.3886 -1.2526
+  739SOL    HW2 3790   7.446   1.282   5.230 -0.8436 -2.2770 -0.4422
+  740SOL     OW 3791   0.865   3.598   4.893 -0.8843  0.6662 -0.0976
+  740SOL    HW1 3792   0.960   3.612   4.889 -0.7657  0.0841  0.6371
+  740SOL    HW2 3793   0.849   3.523   4.836 -1.0511  1.4817 -1.1280
+  741SOL     OW 3794   2.223   2.352   4.113 -0.0731  0.3289 -0.2288
+  741SOL    HW1 3795   2.300   2.346   4.057 -1.1029  0.9708 -1.7380
+  741SOL    HW2 3796   2.247   2.303   4.191  0.8064 -1.9563 -1.8814
+  742SOL     OW 3797   0.062   1.834   4.541 -0.4784 -0.0522  0.3079
+  742SOL    HW1 3798   0.099   1.920   4.521 -0.0897 -0.1638  0.5397
+  742SOL    HW2 3799   0.044   1.837   4.635 -2.5845  0.5812 -0.0846
+  743SOL     OW 3800   0.952   7.203   3.782  0.0715 -0.9287  0.1649
+  743SOL    HW1 3801   0.866   7.165   3.802  0.1469 -1.5222 -0.6102
+  743SOL    HW2 3802   0.953   7.211   3.687  1.2236 -1.7543  0.1047
+  744SOL     OW 3803   0.057   1.290   2.320  0.2456 -0.4778  0.1737
+  744SOL    HW1 3804   0.142   1.265   2.357  0.7929  1.9017  0.6554
+  744SOL    HW2 3805   0.079   1.343   2.243 -0.8643 -2.5107 -1.5804
+  745SOL     OW 3806   1.375   0.599   5.293  0.8930  0.4216 -0.0045
+  745SOL    HW1 3807   1.299   0.542   5.301  0.6240  0.4377 -2.1700
+  745SOL    HW2 3808   1.338   0.688   5.291  1.0915  0.5156  0.4164
+  746SOL     OW 3809   1.343   2.901   4.975  0.4223 -0.2294 -0.2172
+  746SOL    HW1 3810   1.280   2.835   4.946  0.9524 -1.3400  1.0956
+  746SOL    HW2 3811   1.289   2.976   5.002 -0.2660 -0.6987 -0.2806
+  747SOL     OW 3812   1.289   0.871   6.270  0.3261 -0.2759 -0.0279
+  747SOL    HW1 3813   1.353   0.819   6.319 -0.1061 -1.0452 -0.2593
+  747SOL    HW2 3814   1.239   0.806   6.220 -2.1637  0.0734  1.8898
+  748SOL     OW 3815   7.897   2.877   4.718 -0.1632  0.6857 -0.4082
+  748SOL    HW1 3816   7.885   2.970   4.697 -0.9378  1.3044  2.5610
+  748SOL    HW2 3817   7.823   2.855   4.775  1.7905 -0.8322  1.6531
+  749SOL     OW 3818   1.176   7.542   6.582 -0.1854  0.0091  0.5387
+  749SOL    HW1 3819   1.183   7.594   6.661  0.1007  1.2773 -0.3087
+  749SOL    HW2 3820   1.185   7.605   6.510 -0.2337 -1.1404 -0.5024
+  750SOL     OW 3821   0.976   0.299   7.254 -0.3488  0.3445  0.2390
+  750SOL    HW1 3822   0.963   0.234   7.185  0.8590 -1.4492  1.6674
+  750SOL    HW2 3823   0.926   0.266   7.328 -2.4634  2.7714 -0.0079
+  751SOL     OW 3824   0.054   6.778   4.466  0.0468 -0.5790  0.5217
+  751SOL    HW1 3825   0.079   6.770   4.558  0.7749 -0.5762  0.3270
+  751SOL    HW2 3826   0.137   6.778   4.419 -0.2026  1.5099  0.0172
+  752SOL     OW 3827   7.165   0.431   4.827  0.3487 -0.5557  0.4218
+  752SOL    HW1 3828   7.134   0.392   4.908  0.2857 -0.2715  0.5378
+  752SOL    HW2 3829   7.090   0.425   4.767  0.6834 -1.5513  0.1061
+  753SOL     OW 3830   1.144   1.903   4.265  0.3821  0.4497 -0.2797
+  753SOL    HW1 3831   1.128   1.995   4.243 -1.8323  0.4409  1.1550
+  753SOL    HW2 3832   1.057   1.864   4.270  1.2354 -1.3912  0.5827
+  754SOL     OW 3833   0.174   2.541   3.754 -0.1769  0.1617  0.1814
+  754SOL    HW1 3834   0.125   2.501   3.826 -0.3285 -1.7829 -0.9630
+  754SOL    HW2 3835   0.147   2.491   3.677  2.4694  0.0279 -0.6981
+  755SOL     OW 3836   1.705   2.354   6.417  0.0683 -0.6515 -0.2926
+  755SOL    HW1 3837   1.736   2.263   6.417 -0.9066 -0.9854 -0.6050
+  755SOL    HW2 3838   1.611   2.348   6.402  0.0050  0.4202 -0.3861
+  756SOL     OW 3839   0.408   1.153   3.406  0.2839 -0.1511 -0.7492
+  756SOL    HW1 3840   0.435   1.245   3.406 -0.0131 -0.0662 -0.7483
+  756SOL    HW2 3841   0.441   1.119   3.490  1.1554 -0.2665 -1.1322
+  757SOL     OW 3842   6.971   3.850   2.657  0.3983 -0.0677  0.3765
+  757SOL    HW1 3843   7.033   3.801   2.712  0.9891  1.0120  0.6950
+  757SOL    HW2 3844   6.890   3.798   2.660  0.6709 -0.4526  1.6141
+  758SOL     OW 3845   0.908   0.415   6.513  0.0795  0.5818 -0.3346
+  758SOL    HW1 3846   0.833   0.423   6.453  1.4603  0.4970 -2.1002
+  758SOL    HW2 3847   0.909   0.323   6.539  0.5311  0.2344 -1.5757
+  759SOL     OW 3848   0.998   0.503   4.917 -0.1902 -0.8982 -1.1228
+  759SOL    HW1 3849   1.036   0.427   4.873  0.3623 -1.3431  0.1065
+  759SOL    HW2 3850   0.936   0.466   4.980 -0.1503 -0.3235 -0.7444
+  760SOL     OW 3851   1.843   1.367   5.803 -0.0336  0.5095 -0.5475
+  760SOL    HW1 3852   1.798   1.327   5.728 -0.7402  1.1866 -0.4852
+  760SOL    HW2 3853   1.785   1.350   5.877  0.8699 -0.5369 -0.0673
+  761SOL     OW 3854   1.217   0.180   3.448  0.2851  0.3979 -0.5028
+  761SOL    HW1 3855   1.183   0.094   3.424  0.8167  0.3566 -1.1293
+  761SOL    HW2 3856   1.140   0.237   3.449 -0.0477 -0.0597 -0.2224
+  762SOL     OW 3857   0.353   0.891   5.391 -0.1678  0.3521  0.1500
+  762SOL    HW1 3858   0.282   0.954   5.405 -1.2176 -0.9478  0.8194
+  762SOL    HW2 3859   0.312   0.819   5.344  0.6886 -0.4456  0.6161
+  763SOL     OW 3860   2.020   0.139   4.866 -0.3501  0.1770  0.5268
+  763SOL    HW1 3861   1.985   0.157   4.779  0.1408 -0.2372  0.2485
+  763SOL    HW2 3862   1.963   0.189   4.925  0.9975  2.7120 -0.2509
+  764SOL     OW 3863   0.622   1.414   5.478  0.4540 -0.3375  0.1668
+  764SOL    HW1 3864   0.580   1.496   5.453  4.3560  0.9080 -2.8822
+  764SOL    HW2 3865   0.580   1.348   5.424 -0.3688  0.2098  0.1327
+  765SOL     OW 3866   0.791   2.510   3.481  0.1947  0.1605  0.0133
+  765SOL    HW1 3867   0.744   2.589   3.454  0.9331 -0.0003 -1.7512
+  765SOL    HW2 3868   0.864   2.543   3.534 -0.6314  0.5334  0.9444
+  766SOL     OW 3869   0.487   0.667   4.332 -0.2539  0.0747 -0.1005
+  766SOL    HW1 3870   0.494   0.763   4.334 -0.0937  0.1043 -1.7448
+  766SOL    HW2 3871   0.576   0.636   4.345 -0.2826  0.1388  0.2697
+  767SOL     OW 3872   7.836   1.757   3.706 -0.2582  0.2434  0.2187
+  767SOL    HW1 3873   7.769   1.724   3.646  0.2130 -1.1546  0.4238
+  767SOL    HW2 3874   7.787   1.782   3.784 -0.7814  1.2924 -0.4483
+  768SOL     OW 3875   2.569   0.184   4.840  0.1814 -0.3851 -0.1891
+  768SOL    HW1 3876   2.659   0.157   4.859 -0.0904 -0.9380  0.3533
+  768SOL    HW2 3877   2.568   0.277   4.861  0.2021 -0.7328  1.4356
+  769SOL     OW 3878   0.744   0.378   3.343  0.3336 -0.2340  0.5987
+  769SOL    HW1 3879   0.657   0.378   3.381  0.7430 -0.1021  1.5374
+  769SOL    HW2 3880   0.743   0.452   3.282  0.0743  0.3080  1.2575
+  770SOL     OW 3881   4.088   1.030   5.538 -0.0042  0.2534  0.7624
+  770SOL    HW1 3882   4.029   1.098   5.569 -0.6632  0.3315 -0.6043
+  770SOL    HW2 3883   4.152   1.018   5.608 -1.8901 -0.1365  2.4411
+  771SOL     OW 3884   1.459   1.866   5.861 -0.0493 -0.6746  0.1343
+  771SOL    HW1 3885   1.554   1.856   5.852  0.0547  1.1736 -1.0576
+  771SOL    HW2 3886   1.448   1.941   5.919 -0.8059 -1.3828  0.9317
+  772SOL     OW 3887   2.389   0.902   6.177  0.2588  0.1690 -0.3508
+  772SOL    HW1 3888   2.478   0.936   6.166  0.3043  0.8614  1.8040
+  772SOL    HW2 3889   2.358   0.888   6.088  2.0686  1.1170 -1.1794
+  773SOL     OW 3890   3.672   1.766   5.714 -0.4557  0.5638  0.3744
+  773SOL    HW1 3891   3.658   1.762   5.808 -3.1134  0.3071  0.0196
+  773SOL    HW2 3892   3.752   1.818   5.703  1.2144 -1.4279  2.8181
+  774SOL     OW 3893   0.345   0.963   3.825 -0.3021  0.0678 -0.6261
+  774SOL    HW1 3894   0.260   0.981   3.785 -0.9223 -0.2769  0.5093
+  774SOL    HW2 3895   0.408   0.974   3.754 -1.2994  0.2818 -1.4885
+  775SOL     OW 3896   0.826   7.180   4.122 -0.1331 -0.5280 -0.8083
+  775SOL    HW1 3897   0.798   7.168   4.032  1.2595  1.3184 -1.5274
+  775SOL    HW2 3898   0.907   7.131   4.129 -0.1725 -0.5646 -0.6031
+  776SOL     OW 3899   4.162   2.344   3.640  0.1141 -0.0043  0.2324
+  776SOL    HW1 3900   4.124   2.266   3.680 -0.6147  0.0501 -0.3488
+  776SOL    HW2 3901   4.100   2.414   3.659 -0.0874  0.0854 -0.7303
+  777SOL     OW 3902   0.733   0.206   5.686 -0.1297  0.2246  0.1395
+  777SOL    HW1 3903   0.803   0.264   5.716 -0.1705  0.4990 -0.2899
+  777SOL    HW2 3904   0.735   0.213   5.590 -0.5226 -0.0229  0.1093
+  778SOL     OW 3905   2.161   7.334   7.358  0.6665 -0.2773  0.1755
+  778SOL    HW1 3906   2.168   7.253   7.407  0.4941  0.3201  1.1981
+  778SOL    HW2 3907   2.140   7.400   7.424  0.5668  0.5523 -0.6814
+  779SOL     OW 3908   1.598   1.148   4.681 -0.3330  0.1757 -0.2751
+  779SOL    HW1 3909   1.598   1.219   4.745 -0.1275  1.5194 -1.7577
+  779SOL    HW2 3910   1.532   1.173   4.616 -0.8393 -1.3777 -0.3963
+  780SOL     OW 3911   7.959   7.085   3.727  0.1750  0.6232 -0.4658
+  780SOL    HW1 3912   7.927   7.008   3.680 -0.3946  0.8230 -0.4105
+  780SOL    HW2 3913   8.040   7.057   3.767  0.5622  0.3847 -1.4060
+  781SOL     OW 3914   0.034   7.465   3.844 -0.2782  0.6327 -0.1528
+  781SOL    HW1 3915   0.070   7.376   3.852 -1.6590 -0.0778 -1.8135
+  781SOL    HW2 3916   0.059   7.507   3.927  2.6119 -0.4671 -0.3798
+  782SOL     OW 3917   7.825   0.293   7.336 -0.1765 -0.0609 -0.4466
+  782SOL    HW1 3918   7.796   0.371   7.383  0.5129 -0.7112  1.0917
+  782SOL    HW2 3919   7.752   0.272   7.278 -2.0829 -0.6614  2.0843
+  783SOL     OW 3920   1.950   1.947   6.436  0.2198 -0.3753 -0.3348
+  783SOL    HW1 3921   2.018   1.987   6.491 -1.0294 -0.5813  1.4200
+  783SOL    HW2 3922   1.889   2.019   6.419 -0.4159 -0.7823  0.2145
+  784SOL     OW 3923   7.801   1.785   5.633  0.5177 -0.1034 -0.1964
+  784SOL    HW1 3924   7.751   1.791   5.552 -1.8056 -1.8064  1.0587
+  784SOL    HW2 3925   7.866   1.855   5.626 -0.5729  0.7033 -2.8662
+  785SOL     OW 3926   0.477   7.744   7.153  0.9384 -0.4724  0.2303
+  785SOL    HW1 3927   0.390   7.706   7.161  0.1048  1.2242 -0.6482
+  785SOL    HW2 3928   0.500   7.735   7.061  0.9566  0.6290  0.1150
+  786SOL     OW 3929   1.062   6.893   5.520  0.2243  0.0055  0.2825
+  786SOL    HW1 3930   1.064   6.803   5.551  0.8574 -0.5725 -1.3822
+  786SOL    HW2 3931   0.973   6.924   5.540 -0.1696 -1.1651  0.3628
+  787SOL     OW 3932   0.148   0.902   4.240 -0.2674  0.7316 -0.3537
+  787SOL    HW1 3933   0.140   0.984   4.192  1.0388  0.3691 -1.1955
+  787SOL    HW2 3934   0.223   0.915   4.298 -0.6846  0.4863  0.2533
+  788SOL     OW 3935   0.921   0.090   3.684  0.5603 -0.2108  0.3491
+  788SOL    HW1 3936   0.831   0.074   3.654  1.6404  0.4171 -3.5209
+  788SOL    HW2 3937   0.916   0.085   3.779 -3.4499 -0.8421  0.1877
+  789SOL     OW 3938   6.657   1.864   3.738  0.5279 -0.2268 -0.6301
+  789SOL    HW1 3939   6.610   1.799   3.790  0.2255  1.4855  1.3075
+  789SOL    HW2 3940   6.681   1.818   3.657 -2.7684 -1.7037 -0.8504
+  790SOL     OW 3941   0.678   0.539   5.462 -0.4471 -0.3558  0.2170
+  790SOL    HW1 3942   0.771   0.529   5.440 -0.3407 -1.6641  1.1659
+  790SOL    HW2 3943   0.661   0.633   5.454  0.8212 -0.1689 -0.4678
+  791SOL     OW 3944   7.422   1.058   7.906  0.2342 -0.3959 -0.4743
+  791SOL    HW1 3945   7.354   1.105   7.858  1.0837 -0.0266 -1.3288
+  791SOL    HW2 3946   7.486   1.126   7.929 -0.4530 -0.4525  1.7138
+  792SOL     OW 3947   0.174   2.040   4.237  0.0768  0.2452  0.5917
+  792SOL    HW1 3948   0.221   2.111   4.194 -0.0611 -0.4122 -0.6542
+  792SOL    HW2 3949   0.128   2.083   4.310 -0.8856  1.6445 -0.7989
+  793SOL     OW 3950   0.514   1.560   4.290  0.4852  0.4235 -0.2424
+  793SOL    HW1 3951   0.579   1.522   4.230  0.2349  0.5491 -0.5925
+  793SOL    HW2 3952   0.470   1.627   4.239  0.4522  0.7180  0.1675
+  794SOL     OW 3953   7.108   3.819   4.433 -0.1675  0.3343  0.1015
+  794SOL    HW1 3954   7.043   3.889   4.438 -0.7494 -0.3004  1.4873
+  794SOL    HW2 3955   7.064   3.748   4.387  0.5061  0.9442 -1.5311
+  795SOL     OW 3956   1.660   1.363   4.247 -0.5125  0.0684 -0.0408
+  795SOL    HW1 3957   1.653   1.456   4.271  0.8178  0.4022 -0.8687
+  795SOL    HW2 3958   1.748   1.355   4.211 -0.3807 -1.6768  0.6399
+  796SOL     OW 3959   7.364   0.587   5.804 -0.0198 -0.2719  0.4656
+  796SOL    HW1 3960   7.431   0.612   5.740  0.0930  1.1834  1.1237
+  796SOL    HW2 3961   7.385   0.638   5.882 -1.0637 -0.8747  1.1559
+  797SOL     OW 3962   1.811   6.400   4.379 -0.5623 -0.2603 -0.6402
+  797SOL    HW1 3963   1.879   6.388   4.312  1.5652 -2.2120  1.7775
+  797SOL    HW2 3964   1.781   6.311   4.398 -2.7565  0.4646 -0.5566
+  798SOL     OW 3965   0.457   2.250   3.338 -0.5442 -0.4772  0.4165
+  798SOL    HW1 3966   0.550   2.250   3.362 -0.1386 -1.0273 -1.0934
+  798SOL    HW2 3967   0.447   2.329   3.286 -0.0839 -2.2139 -2.4293
+  799SOL     OW 3968   2.403   0.796   4.513 -0.2608  0.1595 -0.2564
+  799SOL    HW1 3969   2.429   0.814   4.423 -1.3875 -0.6792 -0.7636
+  799SOL    HW2 3970   2.458   0.722   4.540  0.8099  1.0784  0.1090
+  800SOL     OW 3971   0.557   2.449   4.332 -0.7467  0.1076  0.0179
+  800SOL    HW1 3972   0.462   2.458   4.327 -0.6788 -0.0967 -2.1178
+  800SOL    HW2 3973   0.571   2.360   4.363 -1.2593  0.2770  0.7310
+  801SOL     OW 3974   1.233   0.907   4.598 -0.0218  0.1443 -0.0147
+  801SOL    HW1 3975   1.174   0.944   4.532  0.3810 -1.2156 -1.1462
+  801SOL    HW2 3976   1.288   0.846   4.550 -0.8899 -2.2126  1.8893
+  802SOL     OW 3977   1.094   1.721   4.670 -0.6783  0.4710 -0.4680
+  802SOL    HW1 3978   1.068   1.634   4.699  1.6517  0.3362  1.3616
+  802SOL    HW2 3979   1.131   1.708   4.583  0.5427 -0.5317  0.1939
+  803SOL     OW 3980   0.558   7.785   6.124  0.2575 -0.3262 -0.0951
+  803SOL    HW1 3981   0.476   7.772   6.172  0.0301  1.5813  0.0751
+  803SOL    HW2 3982   0.536   7.761   6.034 -0.7578  1.0158 -0.2292
+  804SOL     OW 3983   1.644   0.232   3.527 -0.1320 -0.4232  0.5113
+  804SOL    HW1 3984   1.724   0.284   3.524 -0.1303 -0.4580 -0.2813
+  804SOL    HW2 3985   1.659   0.168   3.597  0.7355 -0.7660  0.0206
+  805SOL     OW 3986   1.389   0.267   7.111  0.0146 -0.2943 -0.4519
+  805SOL    HW1 3987   1.371   0.361   7.109 -0.8199 -0.4489 -0.7173
+  805SOL    HW2 3988   1.340   0.232   7.036  0.8058 -0.8623 -0.7165
+  806SOL     OW 3989   0.200   2.640   2.760  0.4006  0.2354 -0.5227
+  806SOL    HW1 3990   0.150   2.649   2.842  2.7909  3.5557  0.6703
+  806SOL    HW2 3991   0.156   2.699   2.699 -0.9351 -1.6887 -1.4717
+  807SOL     OW 3992   0.873   0.717   5.963  0.0410  0.0422 -0.1846
+  807SOL    HW1 3993   0.879   0.663   6.041 -0.3709 -0.2385 -0.3397
+  807SOL    HW2 3994   0.896   0.805   5.992  1.5617 -0.3751 -0.1165
+  808SOL     OW 3995   1.203   1.533   5.745  0.0664  0.1076 -0.2707
+  808SOL    HW1 3996   1.116   1.532   5.705 -0.4248  0.4719  0.7720
+  808SOL    HW2 3997   1.227   1.441   5.753 -0.9747 -0.0537  1.0455
+  809SOL     OW 3998   0.943   0.116   6.035  0.2289 -0.1264  0.1708
+  809SOL    HW1 3999   0.951   0.038   6.090  2.7118 -0.3395 -0.4153
+  809SOL    HW2 4000   0.961   0.084   5.946  0.8277  1.0205 -0.1275
+  810SOL     OW 4001   0.667   6.704   5.081 -0.8175  0.4270 -0.2223
+  810SOL    HW1 4002   0.731   6.776   5.085 -0.2179 -0.0375 -1.2381
+  810SOL    HW2 4003   0.595   6.733   5.138  0.2902  0.9496  0.9493
+  811SOL     OW 4004   0.909   2.436   2.620  0.3688 -0.1857  0.4226
+  811SOL    HW1 4005   0.963   2.429   2.698 -0.5976  0.4829  1.1649
+  811SOL    HW2 4006   0.820   2.450   2.653 -0.1589 -0.5561 -0.7802
+  812SOL     OW 4007   7.886   7.606   6.038  0.3440  0.1261 -0.1664
+  812SOL    HW1 4008   7.906   7.690   5.997  4.2887 -1.8714 -2.7391
+  812SOL    HW2 4009   7.791   7.601   6.040  0.0546  3.0169 -3.4446
+  813SOL     OW 4010   0.512   1.219   5.302  0.2329 -0.2072  0.5451
+  813SOL    HW1 4011   0.424   1.182   5.294 -0.2413  1.0762 -0.4186
+  813SOL    HW2 4012   0.570   1.148   5.275 -0.3234 -1.8491  3.4687
+  814SOL     OW 4013   0.906   0.455   7.594  0.9277  0.3053  0.3552
+  814SOL    HW1 4014   0.904   0.377   7.539  3.2631  0.3144  0.2166
+  814SOL    HW2 4015   0.818   0.491   7.587  0.3997 -1.2150 -1.1833
+  815SOL     OW 4016   2.713   2.928   4.135 -0.4529  0.2995  0.2198
+  815SOL    HW1 4017   2.692   2.970   4.219  0.4503  0.0142  0.6052
+  815SOL    HW2 4018   2.762   2.849   4.160 -2.5587 -1.2561 -0.4798
+  816SOL     OW 4019   2.389   3.572   5.251  0.0805  0.1775 -0.6723
+  816SOL    HW1 4020   2.405   3.601   5.162 -0.6219 -0.1558 -0.9113
+  816SOL    HW2 4021   2.383   3.476   5.245  1.1810  0.0570 -0.0842
+  817SOL     OW 4022   2.204   0.494   5.153  0.3044  0.3156 -0.2279
+  817SOL    HW1 4023   2.259   0.517   5.078  1.6462  0.4224  0.7710
+  817SOL    HW2 4024   2.159   0.576   5.176  0.7311  0.5452 -0.2190
+  818SOL     OW 4025   7.418   7.700   4.400 -0.8363  0.1160  0.0843
+  818SOL    HW1 4026   7.400   7.652   4.481  0.8920 -1.1902 -0.2617
+  818SOL    HW2 4027   7.491   7.758   4.421 -0.4704 -0.1249 -0.4889
+  819SOL     OW 4028   1.239   7.818   6.326  0.3556  0.2895 -0.1172
+  819SOL    HW1 4029   1.161   7.767   6.346  1.3967 -1.2095  0.1641
+  819SOL    HW2 4030   1.265   7.790   6.239  1.7458 -0.7354  0.6012
+  820SOL     OW 4031   0.296   0.546   4.160 -0.1186  0.3072 -0.2712
+  820SOL    HW1 4032   0.353   0.603   4.211 -2.0656  2.0599  0.0028
+  820SOL    HW2 4033   0.223   0.526   4.218  0.2103 -1.9717 -0.5933
+  821SOL     OW 4034   7.818   0.193   6.430  0.8194  0.0687 -0.2483
+  821SOL    HW1 4035   7.896   0.198   6.374  1.3358 -0.0855  0.4487
+  821SOL    HW2 4036   7.753   0.248   6.386  0.9281 -0.7680 -1.4650
+  822SOL     OW 4037   1.842   1.190   5.145 -0.6485 -0.2018  0.4329
+  822SOL    HW1 4038   1.833   1.101   5.111  1.2496 -1.1877  2.3637
+  822SOL    HW2 4039   1.931   1.216   5.120 -0.7253  0.6335  1.0238
+  823SOL     OW 4040   0.080   1.553   5.840  0.2417  0.2118 -0.3437
+  823SOL    HW1 4041  -0.014   1.552   5.857 -0.0437  0.2464 -1.8430
+  823SOL    HW2 4042   0.102   1.646   5.832  0.0955  0.1363 -1.6201
+  824SOL     OW 4043   1.680   0.114   5.361 -0.3351 -0.6849 -0.1246
+  824SOL    HW1 4044   1.726   0.053   5.304  0.3121  0.1946 -0.5504
+  824SOL    HW2 4045   1.636   0.174   5.301 -2.2876 -1.6753  0.2619
+  825SOL     OW 4046   3.863   1.153   4.339  0.0668  0.0550  0.3021
+  825SOL    HW1 4047   3.810   1.226   4.371 -0.0424  0.6939 -1.2965
+  825SOL    HW2 4048   3.952   1.177   4.362  0.0866  0.9500 -0.6870
+  826SOL     OW 4049   1.272   1.388   4.418  0.3613 -0.5888  0.6045
+  826SOL    HW1 4050   1.183   1.364   4.395  0.5194 -1.0330  0.4524
+  826SOL    HW2 4051   1.277   1.482   4.400  0.6158 -1.0015 -1.5825
+  827SOL     OW 4052   3.425   1.762   3.633 -0.3135  0.0733 -0.1176
+  827SOL    HW1 4053   3.518   1.783   3.645 -0.1083  0.1761 -1.8053
+  827SOL    HW2 4054   3.389   1.760   3.722  1.2863  0.1123  0.5419
+  828SOL     OW 4055   1.395   1.400   4.049  0.3003  0.6475 -0.9879
+  828SOL    HW1 4056   1.382   1.335   4.119  1.4944  0.5963 -0.7972
+  828SOL    HW2 4057   1.325   1.464   4.062 -0.2115 -0.0070 -0.4804
+  829SOL     OW 4058   0.768   1.184   5.595 -0.0880 -0.0803 -0.5093
+  829SOL    HW1 4059   0.702   1.229   5.542 -0.1626 -0.4888 -0.7674
+  829SOL    HW2 4060   0.822   1.137   5.530  0.7082  0.5837 -0.3370
+  830SOL     OW 4061   0.812   1.238   6.363  0.0483 -0.3286  0.2787
+  830SOL    HW1 4062   0.731   1.190   6.347  0.6721 -1.5216  0.6403
+  830SOL    HW2 4063   0.799   1.322   6.318 -0.9049 -0.9667 -0.6726
+  831SOL     OW 4064   3.097   0.729   5.504 -0.2349  0.2086  0.0657
+  831SOL    HW1 4065   3.112   0.716   5.598  1.0372  1.4866  0.0533
+  831SOL    HW2 4066   3.102   0.824   5.492 -0.5613  0.0650 -1.2689
+  832SOL     OW 4067   1.979   0.930   6.850 -0.3965  0.1316 -0.1569
+  832SOL    HW1 4068   2.009   1.014   6.816  1.4980 -0.3955  0.0946
+  832SOL    HW2 4069   1.950   0.882   6.772  1.9898 -0.3032 -0.8528
+  833SOL     OW 4070   7.651   3.760   2.979  0.2931 -0.1132 -0.3432
+  833SOL    HW1 4071   7.739   3.722   2.985  0.0324 -0.4756  1.4764
+  833SOL    HW2 4072   7.635   3.796   3.066 -1.2166  0.2796 -0.7809
+  834SOL     OW 4073   0.273   1.799   4.268 -0.0770 -0.5548  0.2408
+  834SOL    HW1 4074   0.242   1.889   4.271 -1.7664 -1.0684 -1.0247
+  834SOL    HW2 4075   0.288   1.782   4.175  2.7632 -0.7569  0.7184
+  835SOL     OW 4076   0.379   0.361   7.395 -0.0141 -0.0504  0.7850
+  835SOL    HW1 4077   0.400   0.269   7.411  0.3165 -0.4283 -1.5823
+  835SOL    HW2 4078   0.426   0.382   7.314 -1.5406  1.6909  0.3266
+  836SOL     OW 4079   3.095   1.979   6.159  0.1176 -0.2775 -0.4064
+  836SOL    HW1 4080   3.064   2.036   6.229  0.4996  0.2945 -0.7057
+  836SOL    HW2 4081   3.017   1.934   6.128 -0.2330  0.3247 -0.3985
+  837SOL     OW 4082   0.246   1.851   3.894  0.4964 -0.1670 -0.0280
+  837SOL    HW1 4083   0.247   1.942   3.864  1.0412 -0.2989 -0.4004
+  837SOL    HW2 4084   0.204   1.803   3.823  0.3173 -0.2318  0.1188
+  838SOL     OW 4085   0.632   1.891   5.293  0.0325  0.1689 -1.0238
+  838SOL    HW1 4086   0.652   1.888   5.199 -0.4506  1.7388 -1.1865
+  838SOL    HW2 4087   0.598   1.979   5.308 -0.6977 -0.3432  0.4744
+  839SOL     OW 4088   0.684   6.953   4.237  0.5426 -0.2747 -0.4854
+  839SOL    HW1 4089   0.755   6.896   4.268  0.8431 -0.4422 -1.4723
+  839SOL    HW2 4090   0.633   6.898   4.178  1.0382  0.5647 -1.7263
+  840SOL     OW 4091   0.723   2.813   5.482 -0.2947 -0.5487 -0.3008
+  840SOL    HW1 4092   0.752   2.745   5.420  2.2123 -0.2137  0.4350
+  840SOL    HW2 4093   0.803   2.837   5.529 -1.6826  1.0389  1.2812
+  841SOL     OW 4094   2.101   1.094   6.642 -0.0953 -0.2451  0.0841
+  841SOL    HW1 4095   2.176   1.037   6.626  0.5478  0.4992  0.3903
+  841SOL    HW2 4096   2.082   1.133   6.557  0.0549 -0.2081  0.0677
+  842SOL     OW 4097   2.227   7.986   4.193  0.6776  0.1476 -0.2753
+  842SOL    HW1 4098   2.308   8.015   4.236  0.1403  1.2614  0.0163
+  842SOL    HW2 4099   2.172   7.953   4.264  0.1048  1.2520 -0.1801
+  843SOL     OW 4100   0.399   3.635   4.167 -0.0584 -0.0003 -0.2090
+  843SOL    HW1 4101   0.408   3.562   4.106  0.7693  0.4798 -0.6636
+  843SOL    HW2 4102   0.474   3.692   4.148 -0.6316  0.9057  0.2279
+  844SOL     OW 4103   1.947   7.795   1.512 -0.0952  0.3208 -0.2027
+  844SOL    HW1 4104   1.872   7.737   1.526 -0.5993  0.9667 -0.1640
+  844SOL    HW2 4105   2.018   7.757   1.564 -0.6310  0.1487  0.4110
+  845SOL     OW 4106   1.346   2.341   3.729  0.5230  0.6567  0.0313
+  845SOL    HW1 4107   1.313   2.403   3.664  0.2684  0.7818  0.2785
+  845SOL    HW2 4108   1.279   2.339   3.797 -0.4389 -1.4718 -0.9576
+  846SOL     OW 4109   1.367   1.783   7.487  0.2898  0.2468 -0.0856
+  846SOL    HW1 4110   1.461   1.793   7.480  0.0841  2.2278 -0.4711
+  846SOL    HW2 4111   1.351   1.772   7.581  0.8682  0.4964  0.0465
+  847SOL     OW 4112   3.933   7.508   5.643  0.2744  0.4737  0.0654
+  847SOL    HW1 4113   3.928   7.540   5.733  2.7867  1.2715 -0.0376
+  847SOL    HW2 4114   3.944   7.586   5.590  2.3688 -0.2276 -0.5808
+  848SOL     OW 4115   2.277   0.177   6.377  0.0753 -0.5746  0.3284
+  848SOL    HW1 4116   2.355   0.123   6.387  0.4315 -0.3912 -1.3265
+  848SOL    HW2 4117   2.210   0.116   6.344  0.4399 -0.0386 -1.4117
+  849SOL     OW 4118   7.468   0.195   5.849 -0.0614 -0.1280  0.0634
+  849SOL    HW1 4119   7.473   0.174   5.942 -0.3261 -1.0700 -0.1294
+  849SOL    HW2 4120   7.390   0.249   5.841 -0.2456 -0.3508  0.3373
+  850SOL     OW 4121   7.759   2.202   6.001 -0.1798  0.5649 -0.3913
+  850SOL    HW1 4122   7.821   2.164   5.939  0.8165  1.5536 -0.0138
+  850SOL    HW2 4123   7.788   2.172   6.087 -0.5944  0.5174 -0.2651
+  851SOL     OW 4124   1.223   0.380   6.084  0.6598  0.3238  0.0073
+  851SOL    HW1 4125   1.243   0.302   6.135 -0.7956  0.4645  0.8196
+  851SOL    HW2 4126   1.188   0.442   6.148 -2.8741 -0.1169 -1.4051
+  852SOL     OW 4127   1.032   6.525   3.846 -0.1313 -0.1178  0.6796
+  852SOL    HW1 4128   1.091   6.462   3.886  1.6030  0.5114 -0.8455
+  852SOL    HW2 4129   1.087   6.578   3.788 -2.2851  0.0079 -1.3585
+  853SOL     OW 4130   7.953   7.973   6.868  0.2663  0.2533  0.2047
+  853SOL    HW1 4131   7.907   8.045   6.910 -0.3202 -0.1205  0.2103
+  853SOL    HW2 4132   8.029   7.956   6.924  0.3251  0.7601  0.2819
+  854SOL     OW 4133   1.479   4.110   6.582 -0.7308  0.2278  0.5908
+  854SOL    HW1 4134   1.448   4.198   6.602 -2.3898 -0.3899  0.8462
+  854SOL    HW2 4135   1.451   4.057   6.657  1.6502 -0.2250  1.2015
+  855SOL     OW 4136   1.398   2.406   4.890  0.1347  0.2067 -0.0453
+  855SOL    HW1 4137   1.449   2.338   4.848 -0.5427 -0.4188  0.1435
+  855SOL    HW2 4138   1.447   2.487   4.873 -0.1116 -0.0440 -1.9696
+  856SOL     OW 4139   2.219   0.530   6.987  0.2178  0.0449  0.3825
+  856SOL    HW1 4140   2.240   0.585   6.911  0.4871 -1.8873 -0.9796
+  856SOL    HW2 4141   2.130   0.499   6.970  1.0210 -2.0510 -0.2166
+  857SOL     OW 4142   0.838   0.484   5.157 -0.4923  0.1998 -0.0974
+  857SOL    HW1 4143   0.791   0.568   5.156 -0.9532 -0.0025  2.2655
+  857SOL    HW2 4144   0.888   0.486   5.239  0.7844 -1.1496 -0.8298
+  858SOL     OW 4145   1.090   7.937   4.193  0.0586  0.0725 -0.0743
+  858SOL    HW1 4146   1.107   7.910   4.102  0.4717 -1.6007  0.4895
+  858SOL    HW2 4147   0.998   7.915   4.207 -0.0690  0.5481 -0.1554
+  859SOL     OW 4148   0.073   1.007   5.440  0.0110  0.0547  0.0755
+  859SOL    HW1 4149   0.034   0.919   5.431 -1.0870  0.5221  0.1405
+  859SOL    HW2 4150   0.016   1.051   5.504  1.1252  0.4954  0.7790
+  860SOL     OW 4151   2.155   1.468   6.822 -0.1541 -0.1470 -0.1401
+  860SOL    HW1 4152   2.145   1.511   6.737 -0.1383 -0.5096 -0.3295
+  860SOL    HW2 4153   2.068   1.476   6.863 -1.2904 -3.2490 -1.7713
+  861SOL     OW 4154   2.692   0.087   5.493  0.0925  0.3918 -0.0624
+  861SOL    HW1 4155   2.639   0.163   5.516  0.4438  0.6415 -0.0737
+  861SOL    HW2 4156   2.780   0.109   5.524  0.4059  0.4143 -0.9609
+  862SOL     OW 4157   0.357   0.980   5.073  0.4185  0.0093  0.7565
+  862SOL    HW1 4158   0.289   0.919   5.047  0.8160 -0.9253  1.8593
+  862SOL    HW2 4159   0.310   1.053   5.113 -0.0696  0.5440 -0.7687
+  863SOL     OW 4160   1.240   7.876   3.317 -0.2277  0.4103 -0.7571
+  863SOL    HW1 4161   1.319   7.876   3.264 -0.7434 -0.5219 -1.5484
+  863SOL    HW2 4162   1.171   7.847   3.257 -0.4384 -2.7886  0.9220
+  864SOL     OW 4163   7.575   1.198   3.315  0.4615 -0.4978  0.1234
+  864SOL    HW1 4164   7.571   1.143   3.392  2.1999 -0.4567  0.2760
+  864SOL    HW2 4165   7.486   1.202   3.282  0.0756 -2.1695  0.9704
+  865SOL     OW 4166   0.422   1.534   2.013 -0.2014  0.9271 -0.1451
+  865SOL    HW1 4167   0.406   1.618   1.969 -1.1492  1.7710  1.7379
+  865SOL    HW2 4168   0.513   1.539   2.042  0.6951  0.0220 -2.6693
+  866SOL     OW 4169   7.806   1.486   6.419 -0.0495  0.1791  0.0864
+  866SOL    HW1 4170   7.860   1.533   6.355  0.2115  0.1138  0.2584
+  866SOL    HW2 4171   7.848   1.400   6.427  1.2992  0.9684  2.0701
+  867SOL     OW 4172   1.159   1.830   5.282  0.1050 -0.0869  0.0764
+  867SOL    HW1 4173   1.118   1.747   5.304 -0.7755  0.0406 -1.0004
+  867SOL    HW2 4174   1.231   1.807   5.223  0.7750 -0.1985  0.9270
+  868SOL     OW 4175   0.564   7.463   6.618 -0.7328 -0.2218 -0.4103
+  868SOL    HW1 4176   0.595   7.546   6.582 -0.8192  0.5347  1.2178
+  868SOL    HW2 4177   0.518   7.421   6.546  0.1140  0.7324 -1.5134
+  869SOL     OW 4178   1.933   0.001   6.562  0.3236 -0.5540 -0.1245
+  869SOL    HW1 4179   1.913   0.010   6.655 -0.6791 -0.7225 -0.3134
+  869SOL    HW2 4180   2.028  -0.010   6.558  0.3859 -0.3600  0.8633
+  870SOL     OW 4181   6.816   7.814   4.052  0.0472  0.3405 -0.3740
+  870SOL    HW1 4182   6.870   7.756   4.106  0.1853  0.2649 -0.5935
+  870SOL    HW2 4183   6.796   7.888   4.109  0.8195  0.6165 -0.4673
+  871SOL     OW 4184   7.712   3.393   2.890  0.0944  0.0717  0.3743
+  871SOL    HW1 4185   7.794   3.347   2.909  0.3176  0.9671  1.6653
+  871SOL    HW2 4186   7.735   3.486   2.894 -0.9329  0.3251  0.5337
+  872SOL     OW 4187   1.040   0.416   3.809  0.2576 -0.4641 -0.1189
+  872SOL    HW1 4188   1.013   0.350   3.872 -2.8695  0.8100 -0.0687
+  872SOL    HW2 4189   1.007   0.384   3.725 -2.6475  1.6772  0.1189
+  873SOL     OW 4190   1.261   0.925   5.491 -0.1850 -0.3526 -0.2683
+  873SOL    HW1 4191   1.280   0.932   5.398  0.7919 -0.7344 -0.1070
+  873SOL    HW2 4192   1.242   0.832   5.505  1.9126 -0.7262  0.3037
+  874SOL     OW 4193   7.950   1.006   4.870  0.3190 -0.3641  0.0447
+  874SOL    HW1 4194   7.903   1.029   4.950 -0.4793  0.8494 -0.7701
+  874SOL    HW2 4195   8.030   0.964   4.901 -0.3321 -0.5857  1.4672
+  875SOL     OW 4196   0.058   5.202   5.926 -0.2108 -0.1141  0.3262
+  875SOL    HW1 4197   0.012   5.155   5.857  0.2428 -0.8458  0.5146
+  875SOL    HW2 4198   0.083   5.134   5.989 -0.2277  0.4864  0.9813
+  876SOL     OW 4199   0.987   0.248   1.127 -0.3707 -0.6377  0.5670
+  876SOL    HW1 4200   1.026   0.264   1.041 -0.5331  2.6995  1.0254
+  876SOL    HW2 4201   0.893   0.243   1.110 -0.5822  1.9082  0.6985
+  877SOL     OW 4202   0.944   2.278   3.366  0.2057 -0.0652 -0.1556
+  877SOL    HW1 4203   0.997   2.202   3.342 -2.2773 -1.5763 -1.1211
+  877SOL    HW2 4204   0.970   2.346   3.304  2.1167 -0.2425  0.4195
+  878SOL     OW 4205   0.820   7.883   4.154 -0.4715 -0.0931  0.1887
+  878SOL    HW1 4206   0.797   7.959   4.101  1.5587  0.1831 -0.3365
+  878SOL    HW2 4207   0.736   7.844   4.178 -1.4876  1.4635 -0.7761
+  879SOL     OW 4208   1.124   0.720   5.033 -0.0657 -0.4799 -0.0053
+  879SOL    HW1 4209   1.209   0.685   5.007 -0.6552 -3.2407  1.6651
+  879SOL    HW2 4210   1.062   0.650   5.014 -1.8487  1.0876 -0.1555
+  880SOL     OW 4211   2.238   2.022   3.737 -0.4486 -0.3513 -0.2013
+  880SOL    HW1 4212   2.174   2.092   3.752  0.1398 -0.1456  1.4182
+  880SOL    HW2 4213   2.283   2.012   3.821  0.5916 -1.5603 -0.8873
+  881SOL     OW 4214   2.003   2.330   5.311 -0.7244 -0.1992 -0.8388
+  881SOL    HW1 4215   1.981   2.420   5.335 -3.8030 -0.4797 -2.3357
+  881SOL    HW2 4216   1.976   2.278   5.387 -2.2830 -0.1730 -1.3418
+  882SOL     OW 4217   0.996   0.241   4.373  0.2128  0.5835 -0.3420
+  882SOL    HW1 4218   1.019   0.303   4.304  2.3548  0.2511  0.0283
+  882SOL    HW2 4219   1.077   0.191   4.387 -1.4523 -2.2930 -0.6495
+  883SOL     OW 4220   0.756   1.526   5.852 -0.5463  0.5025  0.2916
+  883SOL    HW1 4221   0.810   1.504   5.929 -0.3586  0.0783  0.0412
+  883SOL    HW2 4222   0.692   1.455   5.847 -0.3764  0.3741 -0.1107
+  884SOL     OW 4223   7.581   1.704   3.247  0.0919  0.2932  0.0972
+  884SOL    HW1 4224   7.667   1.718   3.206  0.0513 -0.5875 -0.3007
+  884SOL    HW2 4225   7.543   1.792   3.253  1.1462  0.7352  0.5695
+  885SOL     OW 4226   0.120   7.121   5.464  0.1324 -0.3352 -0.2664
+  885SOL    HW1 4227   0.057   7.141   5.395 -0.1184 -1.4351 -0.3714
+  885SOL    HW2 4228   0.184   7.191   5.459 -1.5104  1.2648  0.3785
+  886SOL     OW 4229   2.289   3.133   3.936 -0.5982  0.3114 -0.0661
+  886SOL    HW1 4230   2.212   3.124   3.992  0.8335 -2.0941  1.6336
+  886SOL    HW2 4231   2.332   3.047   3.941  0.4415  0.5439 -3.5902
+  887SOL     OW 4232   2.689   1.659   5.222  0.4755  1.0583  0.3595
+  887SOL    HW1 4233   2.630   1.732   5.202 -0.1417  0.5229  0.2245
+  887SOL    HW2 4234   2.639   1.581   5.200  0.0548  0.4649  3.1485
+  888SOL     OW 4235   0.049   7.811   3.914 -0.1421  0.6966 -0.0978
+  888SOL    HW1 4236  -0.033   7.777   3.950 -0.7186  0.8692 -1.2266
+  888SOL    HW2 4237   0.086   7.865   3.985 -1.0659  0.7198  0.3716
+  889SOL     OW 4238   2.651   1.852   6.311 -0.5905  0.5367  0.5601
+  889SOL    HW1 4239   2.697   1.851   6.227 -2.5039  0.4958 -0.5071
+  889SOL    HW2 4240   2.712   1.896   6.371  1.0893 -0.0869 -0.6565
+  890SOL     OW 4241   1.501   1.573   6.082  0.4248 -0.0103  0.3718
+  890SOL    HW1 4242   1.586   1.577   6.039  0.6516  1.4688  0.9620
+  890SOL    HW2 4243   1.503   1.642   6.148 -0.9706 -0.4223  0.8715
+  891SOL     OW 4244   2.826   0.956   5.865  0.1140  0.0967 -0.3212
+  891SOL    HW1 4245   2.894   1.022   5.861  1.5336 -1.3867 -1.5873
+  891SOL    HW2 4246   2.863   0.885   5.917 -1.0931 -0.0383  0.3889
+  892SOL     OW 4247   1.629   2.044   6.548  0.2320 -0.1522  0.2003
+  892SOL    HW1 4248   1.604   2.055   6.457 -1.1487  0.0982  0.6010
+  892SOL    HW2 4249   1.566   1.982   6.584 -0.4599  1.2212  1.4701
+  893SOL     OW 4250   1.533   7.870   5.085  0.4467 -0.1384  0.4033
+  893SOL    HW1 4251   1.504   7.809   5.017 -0.2321  1.1157 -0.4647
+  893SOL    HW2 4252   1.606   7.825   5.128 -0.3353 -1.7416  0.0932
+  894SOL     OW 4253   1.012   2.048   6.725 -0.3436 -0.1370  0.5387
+  894SOL    HW1 4254   1.034   2.140   6.737  0.3420 -0.2614  0.2875
+  894SOL    HW2 4255   1.051   2.026   6.640 -0.6246 -0.6210  0.5358
+  895SOL     OW 4256   7.975   2.310   4.215  0.2833 -0.6848 -0.9598
+  895SOL    HW1 4257   7.933   2.285   4.133  0.9001 -0.3460 -1.3860
+  895SOL    HW2 4258   8.053   2.358   4.188 -0.7421  1.4857 -0.1594
+  896SOL     OW 4259   1.587   3.263   4.008  0.0539  0.0502  0.0578
+  896SOL    HW1 4260   1.494   3.245   4.020  0.6687 -2.1134  1.8983
+  896SOL    HW2 4261   1.591   3.318   3.930 -2.6364 -1.0707 -0.9248
+  897SOL     OW 4262   7.199   0.125   7.033 -0.1020  0.1423  0.7662
+  897SOL    HW1 4263   7.177   0.068   7.108 -0.9877  0.7287  0.9528
+  897SOL    HW2 4264   7.191   0.068   6.957 -1.6821  0.1928  0.8881
+  898SOL     OW 4265   5.990   0.469   4.760  0.6851  0.3082 -0.4470
+  898SOL    HW1 4266   5.958   0.445   4.847 -0.1259 -1.0682 -1.1216
+  898SOL    HW2 4267   5.919   0.521   4.722  1.2081  1.2587 -0.1344
+  899SOL     OW 4268   2.094   7.921   5.670 -0.4290 -0.5570  0.0530
+  899SOL    HW1 4269   2.120   8.013   5.672 -1.0973 -0.2573 -2.3326
+  899SOL    HW2 4270   2.046   7.907   5.751 -0.4429  1.2449  0.3690
+  900SOL     OW 4271   2.471   0.856   4.973 -0.3737 -0.3606  0.4580
+  900SOL    HW1 4272   2.565   0.848   4.959 -0.5522 -0.9388 -0.4583
+  900SOL    HW2 4273   2.462   0.880   5.065  0.6872  0.1940  0.4174
+  901SOL     OW 4274   0.263   1.203   2.991  0.3010  0.0653 -0.3058
+  901SOL    HW1 4275   0.344   1.237   3.027  0.6831 -1.6618  0.5317
+  901SOL    HW2 4276   0.233   1.139   3.055  1.4227 -3.6761 -3.3153
+  902SOL     OW 4277   0.721   7.348   4.766  0.5085 -0.2848  0.0196
+  902SOL    HW1 4278   0.684   7.261   4.775 -0.4889  0.0542 -0.6617
+  902SOL    HW2 4279   0.804   7.334   4.719  0.1638 -0.8227 -0.4351
+  903SOL     OW 4280   0.388   1.872   7.496 -0.2417  0.0157  0.1941
+  903SOL    HW1 4281   0.459   1.812   7.518 -0.7772 -0.2936  1.0958
+  903SOL    HW2 4282   0.371   1.856   7.404  2.1872  1.4841 -0.5569
+  904SOL     OW 4283   0.663   3.533   2.687  0.8256  0.0444 -0.2258
+  904SOL    HW1 4284   0.641   3.614   2.733  0.0881 -2.1828  3.6698
+  904SOL    HW2 4285   0.752   3.545   2.656  0.4082  2.6376 -0.5017
+  905SOL     OW 4286   1.090   1.345   5.439  0.1305  0.0288  0.1180
+  905SOL    HW1 4287   1.043   1.375   5.516 -0.9789 -0.8656 -0.2087
+  905SOL    HW2 4288   1.059   1.256   5.424  1.2847 -0.2655 -0.6080
+  906SOL     OW 4289   2.046   0.280   5.212  0.2092  0.6882 -0.0329
+  906SOL    HW1 4290   1.957   0.293   5.179  0.5147  0.6033 -0.9055
+  906SOL    HW2 4291   2.099   0.345   5.165  0.7923 -0.0020 -0.3441
+  907SOL     OW 4292   7.926   2.911   2.363 -0.4732 -0.1947  0.6904
+  907SOL    HW1 4293   7.926   2.857   2.284 -0.1293 -0.1711  0.6746
+  907SOL    HW2 4294   7.935   3.001   2.331 -3.4796  0.1078  0.5643
+  908SOL     OW 4295   0.006   0.152   5.043 -0.1410 -0.1754 -0.7437
+  908SOL    HW1 4296  -0.010   0.156   5.137 -2.3352  1.5981 -1.1405
+  908SOL    HW2 4297   0.061   0.075   5.031 -0.1164 -0.6287  1.9449
+  909SOL     OW 4298   6.977   1.041   3.136  0.1048  0.2054  0.1600
+  909SOL    HW1 4299   7.066   1.008   3.122 -0.0261 -0.5596  1.1413
+  909SOL    HW2 4300   6.984   1.135   3.121  0.9891  0.0854 -0.2065
+  910SOL     OW 4301   7.796   2.162   5.432 -0.2266  0.6338  0.3727
+  910SOL    HW1 4302   7.826   2.168   5.341 -1.6897 -0.9183 -0.2277
+  910SOL    HW2 4303   7.702   2.147   5.425 -0.1894 -0.4998  2.1251
+  911SOL     OW 4304   1.437   1.141   6.240  0.1890 -0.1022  0.1974
+  911SOL    HW1 4305   1.382   1.062   6.236 -0.0818  0.1405 -1.2295
+  911SOL    HW2 4306   1.391   1.204   6.185  2.0396  0.0278 -1.2325
+  912SOL     OW 4307   0.147   0.811   4.981  0.3105  0.7424 -0.7441
+  912SOL    HW1 4308   0.215   0.795   4.916  1.5549  0.1934  0.6810
+  912SOL    HW2 4309   0.111   0.725   4.999  1.3863  0.6072  0.8211
+  913SOL     OW 4310   1.458   7.470   6.564 -0.4707 -0.6532  0.1932
+  913SOL    HW1 4311   1.371   7.451   6.599 -0.4391  0.3064  0.7914
+  913SOL    HW2 4312   1.444   7.483   6.471 -0.9331 -0.7374  0.2498
+  914SOL     OW 4313   7.830   1.751   3.132  0.0653  0.2393 -0.2269
+  914SOL    HW1 4314   7.884   1.805   3.075 -0.6518  2.2684  0.9610
+  914SOL    HW2 4315   7.871   1.760   3.218 -0.9623  0.1473  0.2769
+  915SOL     OW 4316   7.972   1.467   5.080  0.2705 -1.1121 -0.0360
+  915SOL    HW1 4317   7.890   1.512   5.098 -0.5493 -3.2207  1.7292
+  915SOL    HW2 4318   7.971   1.391   5.139  2.8369 -1.9322 -0.9902
+  916SOL     OW 4319   0.383   0.834   6.579  0.0741  0.2446 -0.3252
+  916SOL    HW1 4320   0.378   0.819   6.485  1.8673 -1.0333 -0.2356
+  916SOL    HW2 4321   0.300   0.799   6.613 -0.6331  0.8425 -1.4340
+  917SOL     OW 4322   1.864   2.046   5.783 -0.1983  0.4362 -0.3176
+  917SOL    HW1 4323   1.814   2.127   5.788 -0.6269  0.0378  2.9640
+  917SOL    HW2 4324   1.799   1.978   5.763 -0.4134  0.4259  0.4023
+  918SOL     OW 4325   7.596   0.309   6.977  0.0583 -0.0279  0.1385
+  918SOL    HW1 4326   7.529   0.266   6.923  1.1960 -2.3443  0.5463
+  918SOL    HW2 4327   7.554   0.390   7.006 -2.8281 -1.7594  0.9666
+  919SOL     OW 4328   2.051   1.152   4.920  0.4402 -0.4160 -0.4220
+  919SOL    HW1 4329   2.104   1.147   4.999 -0.7941 -0.5454  0.4005
+  919SOL    HW2 4330   2.029   1.244   4.911  0.9322 -0.3340 -0.8660
+  920SOL     OW 4331   1.588   2.555   4.294 -0.4067 -0.2477 -0.6613
+  920SOL    HW1 4332   1.535   2.534   4.372  0.8654  0.4660  0.4176
+  920SOL    HW2 4333   1.524   2.560   4.223 -1.3123 -3.3627 -0.1588
+  921SOL     OW 4334   0.767   0.564   6.815  0.7535  0.4129 -0.1852
+  921SOL    HW1 4335   0.715   0.603   6.745 -1.4167 -1.2276  0.4731
+  921SOL    HW2 4336   0.801   0.483   6.777  0.6906  0.1955  0.2256
+  922SOL     OW 4337   7.781   1.745   4.746  0.1829 -0.3391  0.0468
+  922SOL    HW1 4338   7.837   1.793   4.807  0.7452 -0.7262 -0.1574
+  922SOL    HW2 4339   7.698   1.734   4.792  0.4653 -0.2573  0.5798
+  923SOL     OW 4340   0.659   2.009   3.711  0.3316 -0.2871 -0.2060
+  923SOL    HW1 4341   0.589   1.966   3.663  0.5071 -0.5341 -0.2392
+  923SOL    HW2 4342   0.682   2.086   3.658 -1.0895  0.7601  0.6472
+  924SOL     OW 4343   1.479   7.127   7.491  0.1834  0.2386 -0.6441
+  924SOL    HW1 4344   1.434   7.210   7.506  1.0639  0.7105 -0.6086
+  924SOL    HW2 4345   1.527   7.140   7.409  2.0666  0.5215  0.4726
+  925SOL     OW 4346   0.818   7.568   7.715 -0.0393  0.8281  0.8059
+  925SOL    HW1 4347   0.820   7.483   7.758  2.1602  0.8631  0.8468
+  925SOL    HW2 4348   0.891   7.565   7.653 -1.2335  1.9162 -0.7093
+  926SOL     OW 4349   1.029   2.126   3.755 -0.1465 -0.2493  0.2699
+  926SOL    HW1 4350   0.951   2.073   3.772 -0.5742  0.3981  0.3751
+  926SOL    HW2 4351   0.995   2.203   3.708  0.2298  0.6892  1.5109
+  927SOL     OW 4352   7.689   1.858   5.393 -0.1270  0.2256  0.5702
+  927SOL    HW1 4353   7.615   1.917   5.408  0.1044  0.3886  1.0816
+  927SOL    HW2 4354   7.707   1.866   5.299 -1.0511 -0.1640  0.3546
+  928SOL     OW 4355   3.147   2.592   4.945  0.4241  0.3444 -0.1112
+  928SOL    HW1 4356   3.213   2.644   4.991  1.8782 -0.2109 -1.4934
+  928SOL    HW2 4357   3.115   2.650   4.876  0.6914  0.0582 -0.4803
+  929SOL     OW 4358   7.802   2.386   3.662 -0.6199 -0.0034 -0.3356
+  929SOL    HW1 4359   7.740   2.382   3.735  0.1671 -1.7369  0.2688
+  929SOL    HW2 4360   7.767   2.453   3.604 -0.9646  1.8333  1.9202
+  930SOL     OW 4361   0.637   0.525   6.007 -0.1926  0.7507 -0.6745
+  930SOL    HW1 4362   0.646   0.538   5.912 -0.2506  0.3593 -0.7351
+  930SOL    HW2 4363   0.717   0.479   6.032 -0.6040  0.0183 -0.6928
+  931SOL     OW 4364   1.024   1.303   6.008 -0.4168  0.3258  0.1446
+  931SOL    HW1 4365   0.981   1.219   5.993  0.3898 -0.3579  1.4890
+  931SOL    HW2 4366   0.952   1.365   6.018 -1.0011  0.0831 -2.2983
+  932SOL     OW 4367   7.655   1.054   4.505  0.2567  0.2379 -0.0527
+  932SOL    HW1 4368   7.639   0.992   4.577  0.1019 -1.2675 -1.3629
+  932SOL    HW2 4369   7.686   1.000   4.433 -0.0021  1.6804 -1.2749
+  933SOL     OW 4370   0.967   1.801   6.121  0.3882 -0.4983  0.1311
+  933SOL    HW1 4371   0.917   1.819   6.041  0.9578  0.2259 -0.0596
+  933SOL    HW2 4372   1.057   1.825   6.099  0.3129  0.9718  1.4308
+  934SOL     OW 4373   0.840   6.456   7.624  0.1979 -0.2837  0.1702
+  934SOL    HW1 4374   0.863   6.493   7.539  1.5029 -0.6452  0.3603
+  934SOL    HW2 4375   0.899   6.500   7.686 -0.8751  0.1244  0.9276
+  935SOL     OW 4376   0.273   7.208   6.744  0.0527 -0.3908  0.1431
+  935SOL    HW1 4377   0.290   7.117   6.769 -1.0393 -0.8729 -0.8315
+  935SOL    HW2 4378   0.181   7.222   6.767 -0.4979 -0.3306 -1.9865
+  936SOL     OW 4379   1.230   1.689   4.427 -0.1634  0.1078  0.2470
+  936SOL    HW1 4380   1.241   1.754   4.358  1.6151 -1.3774 -0.9274
+  936SOL    HW2 4381   1.312   1.691   4.475  0.3948 -2.0729 -0.5529
+  937SOL     OW 4382   1.525   7.677   5.895  0.4834 -0.0683 -0.2820
+  937SOL    HW1 4383   1.617   7.659   5.915  0.8282  1.1789 -0.7372
+  937SOL    HW2 4384   1.513   7.644   5.806  0.3251 -0.7824 -0.0004
+  938SOL     OW 4385   2.589   1.149   5.577 -0.2617 -0.2894  0.3221
+  938SOL    HW1 4386   2.496   1.145   5.598 -0.0698  2.4352  1.8177
+  938SOL    HW2 4387   2.598   1.225   5.520  1.3277  0.6662  1.7903
+  939SOL     OW 4388   1.827   0.022   6.169 -0.2633 -0.6395 -0.3363
+  939SOL    HW1 4389   1.746   0.057   6.132  0.0753  1.1275  0.5065
+  939SOL    HW2 4390   1.799  -0.045   6.231 -1.0459 -0.5579 -0.6006
+  940SOL     OW 4391   1.219   0.678   6.077 -0.0887  0.3718 -0.2515
+  940SOL    HW1 4392   1.297   0.623   6.085 -0.3698  0.1994  1.4409
+  940SOL    HW2 4393   1.146   0.621   6.099 -0.6209  0.7917 -0.8811
+  941SOL     OW 4394   0.443   1.386   3.832  0.5169 -1.0919 -0.0203
+  941SOL    HW1 4395   0.397   1.396   3.748  0.0290 -1.9320  0.1356
+  941SOL    HW2 4396   0.379   1.413   3.898  0.6577 -1.0955  0.1160
+  942SOL     OW 4397   2.363   1.552   5.525 -0.5782 -0.6037 -0.1386
+  942SOL    HW1 4398   2.295   1.499   5.566 -0.1823 -1.1455 -0.1763
+  942SOL    HW2 4399   2.443   1.500   5.535  0.1743  0.7989  1.4804
+  943SOL     OW 4400   6.984   7.758   3.027  0.0420 -0.1463  0.2295
+  943SOL    HW1 4401   6.893   7.744   3.002 -0.2212  2.4285 -0.4722
+  943SOL    HW2 4402   6.989   7.731   3.118 -1.2937 -0.8516  0.1023
+  944SOL     OW 4403   2.446   1.687   5.059  0.0707 -0.2993  0.0094
+  944SOL    HW1 4404   2.392   1.628   5.006  0.8239 -0.7795 -0.2360
+  944SOL    HW2 4405   2.430   1.774   5.022 -1.4734 -0.2609  0.7329
+  945SOL     OW 4406   7.203   0.041   2.996 -0.3483  0.5356 -0.1919
+  945SOL    HW1 4407   7.216   0.134   2.979  3.4516 -0.3737 -2.9268
+  945SOL    HW2 4408   7.268   0.021   3.064  0.3487 -0.5265 -1.1614
+  946SOL     OW 4409   0.927   2.416   3.945  0.8231 -0.5022 -0.2651
+  946SOL    HW1 4410   0.928   2.424   3.850  1.0265  0.4220 -0.1879
+  946SOL    HW2 4411   0.851   2.361   3.964 -1.1642  1.9712 -0.7640
+  947SOL     OW 4412   1.345   1.056   3.855 -0.4296  0.1112  0.0690
+  947SOL    HW1 4413   1.378   0.969   3.832 -0.5823 -0.6613  2.6529
+  947SOL    HW2 4414   1.387   1.076   3.938 -0.5653  2.4399 -0.4018
+  948SOL     OW 4415   7.960   7.261   5.269  0.6433 -0.5020  0.0662
+  948SOL    HW1 4416   7.893   7.243   5.204 -0.0669 -0.1760  0.6997
+  948SOL    HW2 4417   7.925   7.335   5.320  1.6139 -0.1209  0.2003
+  949SOL     OW 4418   6.957   1.039   0.595 -0.7173 -0.2602 -0.3958
+  949SOL    HW1 4419   6.986   0.968   0.652 -1.3756  0.3101  0.6718
+  949SOL    HW2 4420   7.022   1.108   0.606 -0.0455 -0.7184 -1.4792
+  950SOL     OW 4421   7.194   7.022   6.109  0.5561 -0.5672  0.0079
+  950SOL    HW1 4422   7.142   7.094   6.073  1.1358  0.7993  1.8010
+  950SOL    HW2 4423   7.136   6.946   6.103 -0.7731  0.4341 -0.2329
+  951SOL     OW 4424   7.380   2.281   5.820  0.0362 -0.1539 -0.3419
+  951SOL    HW1 4425   7.294   2.323   5.832 -0.4997 -1.2155 -0.4326
+  951SOL    HW2 4426   7.433   2.315   5.893 -0.1954  1.1570 -0.7604
+  952SOL     OW 4427   7.229   2.296   4.961 -0.4274 -0.5993 -0.4915
+  952SOL    HW1 4428   7.183   2.217   4.934 -0.0387 -0.6672 -0.9667
+  952SOL    HW2 4429   7.280   2.268   5.038 -0.3085 -0.8094 -0.6437
+  953SOL     OW 4430   1.576   1.800   6.932  0.0657  0.2047  0.1277
+  953SOL    HW1 4431   1.514   1.849   6.878  0.1167  1.5980  1.3252
+  953SOL    HW2 4432   1.561   1.831   7.021  1.5424 -0.4528  0.6193
+  954SOL     OW 4433   4.238   0.192   6.431 -0.5375  0.7633 -0.3197
+  954SOL    HW1 4434   4.152   0.171   6.394  0.0183  1.3488 -1.9832
+  954SOL    HW2 4435   4.284   0.237   6.360  1.0376  0.7132  0.6557
+  955SOL     OW 4436   2.462   2.462   0.160 -0.0262 -0.1438 -0.2717
+  955SOL    HW1 4437   2.454   2.532   0.224  0.0840  1.1661 -1.6510
+  955SOL    HW2 4438   2.374   2.453   0.123 -0.1257 -0.9920  0.1662
+  956SOL     OW 4439   1.683   0.712   1.409  0.2524 -0.3330 -0.1494
+  956SOL    HW1 4440   1.615   0.746   1.466  0.1836  4.2574 -2.7411
+  956SOL    HW2 4441   1.636   0.671   1.337  0.1957  1.2117 -1.0126
+  957SOL     OW 4442   1.859   1.104   4.526  0.0332  0.0174  0.0503
+  957SOL    HW1 4443   1.931   1.121   4.586  1.9941  2.0372 -2.7132
+  957SOL    HW2 4444   1.786   1.155   4.560  1.4520  2.0461  0.1663
+  958SOL     OW 4445   1.334   2.711   0.282 -0.4253  0.1712 -0.2247
+  958SOL    HW1 4446   1.270   2.779   0.260 -0.7724 -0.7024 -2.1091
+  958SOL    HW2 4447   1.294   2.630   0.249  1.2184 -0.5348 -0.5444
+  959SOL     OW 4448   7.075   1.362   7.603  0.0968 -0.0845  0.3014
+  959SOL    HW1 4449   7.112   1.428   7.545  1.2763 -0.9356  0.0676
+  959SOL    HW2 4450   7.087   1.398   7.691 -0.4342  0.5863  0.1014
+  960SOL     OW 4451   0.180   0.177   7.958  0.4118  0.1043  0.1177
+  960SOL    HW1 4452   0.227   0.176   8.042  0.7707  0.6846 -0.0668
+  960SOL    HW2 4453   0.150   0.087   7.945  0.5450 -0.0326  0.7651
+  961SOL     OW 4454   3.325   0.459   0.297  0.0065 -0.1405 -0.0356
+  961SOL    HW1 4455   3.377   0.397   0.246 -1.4524 -0.0272 -1.7066
+  961SOL    HW2 4456   3.373   0.541   0.289  0.6865 -0.5098  0.1870
+  962SOL     OW 4457   2.525   0.836   5.378 -0.4985 -0.1345 -0.1882
+  962SOL    HW1 4458   2.582   0.852   5.454 -1.1563  1.7924 -0.0701
+  962SOL    HW2 4459   2.585   0.842   5.303 -0.2750  0.4344  0.0285
+  963SOL     OW 4460   2.937   1.974   1.781 -0.0654 -0.1359  0.6093
+  963SOL    HW1 4461   2.843   1.974   1.759  0.6347  1.1341 -2.6938
+  963SOL    HW2 4462   2.955   2.063   1.809  0.2526 -0.2395  0.7343
+  964SOL     OW 4463   0.335   4.086   4.835  0.2434 -0.3216 -0.2991
+  964SOL    HW1 4464   0.355   4.027   4.908 -1.7534 -0.8267 -0.1170
+  964SOL    HW2 4465   0.341   4.030   4.757 -2.2364 -0.9754 -0.0758
+  965SOL     OW 4466   1.188   1.245   7.651  0.5176  0.1828 -0.2314
+  965SOL    HW1 4467   1.168   1.153   7.631  1.2882  0.1279 -0.7747
+  965SOL    HW2 4468   1.190   1.248   7.747 -0.0903 -0.2360 -0.2008
+  966SOL     OW 4469   1.914   1.414   5.482 -0.1630 -0.1255 -0.7566
+  966SOL    HW1 4470   1.954   1.354   5.546 -0.0503 -1.1248 -1.7553
+  966SOL    HW2 4471   1.828   1.434   5.519  0.9696  1.5025  1.0761
+  967SOL     OW 4472   0.439   1.067   5.587  0.3369  0.1682 -0.3495
+  967SOL    HW1 4473   0.440   1.028   5.499  0.7970  1.7188 -1.0579
+  967SOL    HW2 4474   0.363   1.125   5.587  0.6339  0.5586  0.1085
+  968SOL     OW 4475   2.164   7.022   5.526 -0.4332  0.2091 -0.5052
+  968SOL    HW1 4476   2.216   6.942   5.518  0.2631  0.6050  0.0879
+  968SOL    HW2 4477   2.096   7.012   5.459 -1.2106 -1.5300  0.5152
+  969SOL     OW 4478   1.709   1.617   4.683  0.1683 -0.6521  0.2716
+  969SOL    HW1 4479   1.796   1.599   4.717  0.2541  0.0823  0.4505
+  969SOL    HW2 4480   1.651   1.563   4.737  0.3304  0.3093  1.4389
+  970SOL     OW 4481   2.062   0.180   5.501 -0.6201  0.5343 -0.4744
+  970SOL    HW1 4482   2.084   0.246   5.435 -0.5558  0.8546 -0.1345
+  970SOL    HW2 4483   2.120   0.200   5.575 -1.5138  0.9035  0.1324
+  971SOL     OW 4484   7.396   1.431   5.556 -0.0549 -0.1834 -0.0409
+  971SOL    HW1 4485   7.424   1.504   5.500  0.2383 -1.3570 -1.4431
+  971SOL    HW2 4486   7.407   1.464   5.645  3.1297  0.3537 -0.5987
+  972SOL     OW 4487   1.685   6.937   6.476 -0.0649  0.5548 -0.1732
+  972SOL    HW1 4488   1.625   7.009   6.495  0.6979  0.4153  3.0568
+  972SOL    HW2 4489   1.768   6.980   6.456 -0.1110  0.6109 -0.2466
+  973SOL     OW 4490   3.274   1.610   5.868 -0.7482  0.3349  0.0419
+  973SOL    HW1 4491   3.278   1.623   5.963 -2.2178  0.3067  0.1077
+  973SOL    HW2 4492   3.322   1.684   5.832 -0.1126  0.3100  0.7962
+  974SOL     OW 4493   0.471   7.296   1.989  0.3319 -0.4992  0.0981
+  974SOL    HW1 4494   0.484   7.313   2.082 -0.9785  0.2265  0.1676
+  974SOL    HW2 4495   0.549   7.248   1.962  1.1931  0.1842  1.3365
+  975SOL     OW 4496   1.934   1.791   6.053  0.0835  0.2126 -0.6604
+  975SOL    HW1 4497   2.009   1.851   6.046 -0.2639  0.6176 -0.9561
+  975SOL    HW2 4498   1.948   1.727   5.984 -0.5293  1.0650 -1.5954
+  976SOL     OW 4499   2.255   1.452   0.277 -0.2095 -0.2577  0.1724
+  976SOL    HW1 4500   2.176   1.437   0.225  0.7781  0.0544 -1.4563
+  976SOL    HW2 4501   2.285   1.365   0.300 -0.4357 -0.4094 -0.1027
+  977SOL     OW 4502   0.630   7.001   0.329 -0.5722 -0.8011  0.6179
+  977SOL    HW1 4503   0.614   7.045   0.413 -0.3296  0.4301  0.0295
+  977SOL    HW2 4504   0.625   6.908   0.350  0.6777 -0.5385  2.2551
+  978SOL     OW 4505   6.841   0.999   6.142 -0.2036  0.5763 -0.5846
+  978SOL    HW1 4506   6.902   1.066   6.174  0.6742 -0.3859 -0.2017
+  978SOL    HW2 4507   6.869   0.918   6.186 -0.4044 -0.3111 -2.0281
+  979SOL     OW 4508   0.911   0.741   7.414  0.3107  0.3880  0.1330
+  979SOL    HW1 4509   0.960   0.815   7.378 -0.1590  0.1912 -0.9310
+  979SOL    HW2 4510   0.938   0.737   7.506  3.2542 -0.4896 -0.7078
+  980SOL     OW 4511   7.379   1.042   0.218 -0.0234  0.3054 -0.0223
+  980SOL    HW1 4512   7.297   1.088   0.236 -1.2327 -2.1622  1.0627
+  980SOL    HW2 4513   7.359   0.982   0.147  1.4262  1.1085 -1.1499
+  981SOL     OW 4514   7.961   1.079   0.724  0.4791 -0.2812 -0.2319
+  981SOL    HW1 4515   7.996   1.168   0.718  0.8552 -0.4697 -0.9990
+  981SOL    HW2 4516   7.869   1.087   0.697  0.0958  0.1101  1.1527
+  982SOL     OW 4517   0.039   0.156   0.444  0.0536 -0.3851 -0.7109
+  982SOL    HW1 4518  -0.052   0.188   0.441  0.0813 -0.0962  1.2293
+  982SOL    HW2 4519   0.089   0.231   0.476  0.7015 -1.1154 -0.0138
+  983SOL     OW 4520   2.168   1.134   0.661 -0.6106  0.5296  0.0587
+  983SOL    HW1 4521   2.130   1.059   0.707  0.0093 -0.0020 -0.2902
+  983SOL    HW2 4522   2.259   1.137   0.690 -0.8416  1.6537  0.6985
+  984SOL     OW 4523   1.203   0.844   6.893  0.0957  0.7934 -0.0163
+  984SOL    HW1 4524   1.118   0.885   6.875  0.0723 -0.0693 -2.0078
+  984SOL    HW2 4525   1.200   0.822   6.986 -1.7588  1.0140 -0.0048
+  985SOL     OW 4526   1.051   7.544   7.555  0.5938  0.2603  0.2026
+  985SOL    HW1 4527   1.070   7.478   7.489  0.3615  0.1549  0.2387
+  985SOL    HW2 4528   1.122   7.607   7.548  0.4282  0.3898 -0.3325
+  986SOL     OW 4529   1.556   0.623   7.594 -0.1514 -0.0137 -0.2011
+  986SOL    HW1 4530   1.533   0.628   7.686 -0.8060 -0.8230 -0.3107
+  986SOL    HW2 4531   1.647   0.594   7.593  0.5837  2.1955  0.2176
+  987SOL     OW 4532   2.483   0.208   6.139 -0.3085 -0.2051  0.3073
+  987SOL    HW1 4533   2.461   0.142   6.205  2.3327 -0.2953  1.1260
+  987SOL    HW2 4534   2.557   0.170   6.092  0.8921  1.9710  0.4268
+  988SOL     OW 4535   2.364   1.702   7.362 -0.5317  0.3452  0.4525
+  988SOL    HW1 4536   2.382   1.659   7.446 -2.6681  1.1635  1.3586
+  988SOL    HW2 4537   2.382   1.794   7.378 -1.5053  0.5889  0.2057
+  989SOL     OW 4538   1.262   1.331   0.445  0.0667 -0.1320 -0.8587
+  989SOL    HW1 4539   1.176   1.290   0.455 -0.3714  0.4304 -2.1430
+  989SOL    HW2 4540   1.254   1.414   0.492  0.1679 -0.4522 -0.2829
+  990SOL     OW 4541   0.299   7.480   7.135 -0.4565  0.1887 -0.4417
+  990SOL    HW1 4542   0.376   7.440   7.096 -0.8667 -0.0899 -0.9788
+  990SOL    HW2 4543   0.262   7.411   7.190 -1.0095 -0.0933 -1.1525
+  991SOL     OW 4544   1.398   0.808   6.693 -0.0218  0.3448  0.0924
+  991SOL    HW1 4545   1.466   0.775   6.751  1.4724  3.6835  0.3171
+  991SOL    HW2 4546   1.330   0.842   6.752 -0.3406  0.0973 -0.1294
+  992SOL     OW 4547   7.943   0.696   7.703 -0.0522 -0.5989  0.5121
+  992SOL    HW1 4548   7.933   0.731   7.615 -0.8857 -0.6861  0.5663
+  992SOL    HW2 4549   8.029   0.654   7.703  0.4613  0.4528  0.1051
+  993SOL     OW 4550   7.954   1.709   0.168 -0.2866 -0.0968 -0.0660
+  993SOL    HW1 4551   7.885   1.647   0.191  0.5709 -1.3172 -0.7927
+  993SOL    HW2 4552   7.934   1.736   0.078  1.5865 -2.3753 -1.1998
+  994SOL     OW 4553   1.158   7.246   1.864 -0.5441  0.0893  0.2465
+  994SOL    HW1 4554   1.191   7.272   1.778 -0.1080  0.1659  0.4364
+  994SOL    HW2 4555   1.227   7.271   1.925 -1.4700  1.3968  0.7967
+  995SOL     OW 4556   1.287   0.073   5.950  0.2281  0.4579  0.1665
+  995SOL    HW1 4557   1.212   0.017   5.929  0.2156  0.7849 -0.6867
+  995SOL    HW2 4558   1.362   0.030   5.908  0.4081  0.4814  0.4617
+  996SOL     OW 4559   0.205   2.400   5.216  0.4735  0.5456 -0.3950
+  996SOL    HW1 4560   0.238   2.471   5.160  1.1798 -0.5875 -1.4275
+  996SOL    HW2 4561   0.271   2.392   5.285  0.9792  0.1084 -0.9305
+  997SOL     OW 4562   7.688   1.050   0.291 -0.2457 -0.4419 -0.1503
+  997SOL    HW1 4563   7.618   0.988   0.271 -2.0950  0.6701  2.5203
+  997SOL    HW2 4564   7.657   1.133   0.254 -0.0027 -0.1052  0.3914
+  998SOL     OW 4565   3.484   1.025   7.302  0.1346 -0.7877  0.1263
+  998SOL    HW1 4566   3.461   0.964   7.372 -0.7177  0.0916  0.6089
+  998SOL    HW2 4567   3.570   0.994   7.271 -0.2402 -2.1662  0.4314
+  999SOL     OW 4568   2.724   3.617   7.860 -0.6756  0.1301 -0.1650
+  999SOL    HW1 4569   2.755   3.588   7.775  0.0335  0.1633  0.0714
+  999SOL    HW2 4570   2.629   3.606   7.858 -0.7695  1.0742 -1.3161
+ 1000SOL     OW 4571   2.887   0.118   7.126  0.3964  0.9628  0.2762
+ 1000SOL    HW1 4572   2.907   0.033   7.165  1.4788  0.7114 -0.7817
+ 1000SOL    HW2 4573   2.931   0.182   7.183  2.3913  0.5638 -0.7714
+ 1001SOL     OW 4574   2.207   1.349   6.123  0.3741  0.3619 -0.5627
+ 1001SOL    HW1 4575   2.165   1.263   6.118  0.1366  0.5399 -1.7802
+ 1001SOL    HW2 4576   2.273   1.347   6.053  3.4536 -0.4498  2.2241
+ 1002SOL     OW 4577   0.502   1.790   6.565  0.1088  0.0065  0.2128
+ 1002SOL    HW1 4578   0.414   1.752   6.571  0.2260  0.1027  2.7845
+ 1002SOL    HW2 4579   0.528   1.772   6.475 -1.9894 -1.2604 -0.1982
+ 1003SOL     OW 4580   0.136   7.743   1.245 -0.1000  0.1001 -0.5970
+ 1003SOL    HW1 4581   0.161   7.704   1.161 -1.1647 -0.6097 -0.6044
+ 1003SOL    HW2 4582   0.218   7.770   1.285  0.3955  0.8730 -2.0758
+ 1004SOL     OW 4583   1.881   2.294   0.925 -0.2279  0.7820 -0.1652
+ 1004SOL    HW1 4584   1.829   2.374   0.920  0.9191  1.6570  1.3885
+ 1004SOL    HW2 4585   1.837   2.241   0.992 -0.2111  0.6789 -0.2350
+ 1005SOL     OW 4586   1.064   0.644   6.552 -1.0648 -0.1814 -0.5521
+ 1005SOL    HW1 4587   1.052   0.684   6.638  1.4739 -1.4292  0.4305
+ 1005SOL    HW2 4588   1.011   0.565   6.554  0.4799 -1.2286  0.6309
+ 1006SOL     OW 4589   0.793   6.552   0.246  0.6798  0.1658  0.0818
+ 1006SOL    HW1 4590   0.771   6.644   0.263  1.0771  0.1917  0.4428
+ 1006SOL    HW2 4591   0.708   6.507   0.248  0.6029  0.3403  1.0393
+ 1007SOL     OW 4592   1.401   2.246   5.844  0.3592 -0.1834 -0.2096
+ 1007SOL    HW1 4593   1.453   2.194   5.782  0.0382  0.8356 -1.3449
+ 1007SOL    HW2 4594   1.310   2.232   5.818  0.2512  0.6978 -0.3245
+ 1008SOL     OW 4595   7.825   2.139   4.379 -0.4713  0.1292  0.6920
+ 1008SOL    HW1 4596   7.750   2.143   4.320 -0.1244  0.9739  0.2924
+ 1008SOL    HW2 4597   7.891   2.195   4.337  0.0359  0.1634  1.5202
+ 1009SOL     OW 4598   0.233   0.072   5.389  0.0172  0.5623 -0.0412
+ 1009SOL    HW1 4599   0.276   0.156   5.401  0.3085  0.3905  0.1170
+ 1009SOL    HW2 4600   0.276   0.033   5.314  1.3828 -0.3983  1.2086
+ 1010SOL     OW 4601   2.272   2.447   5.433  0.5796  0.1245 -0.5050
+ 1010SOL    HW1 4602   2.333   2.513   5.466  0.2482 -0.5642  1.5263
+ 1010SOL    HW2 4603   2.205   2.439   5.501 -0.0031 -1.4920 -1.2314
+ 1011SOL     OW 4604   1.883   2.039   7.010 -0.3404  0.1663  0.1557
+ 1011SOL    HW1 4605   1.901   1.973   7.078  0.7217  0.1036 -0.1823
+ 1011SOL    HW2 4606   1.793   2.020   6.982 -0.5058 -0.3160  0.9756
+ 1012SOL     OW 4607   0.930   1.475   5.628 -0.8195 -0.1857 -0.3379
+ 1012SOL    HW1 4608   0.883   1.494   5.709  0.4062 -0.9582  0.5780
+ 1012SOL    HW2 4609   0.862   1.451   5.565 -1.8116  0.7712  0.3588
+ 1013SOL     OW 4610   1.444   1.507   7.443  0.1061  0.3214  0.0284
+ 1013SOL    HW1 4611   1.530   1.533   7.409  0.0016  1.2540  0.4368
+ 1013SOL    HW2 4612   1.389   1.585   7.430 -0.3539  0.1483  0.8570
+ 1014SOL     OW 4613   7.049   7.757   7.428 -0.2775 -0.3167 -0.3250
+ 1014SOL    HW1 4614   6.979   7.700   7.398  0.0409 -0.8460 -0.0708
+ 1014SOL    HW2 4615   7.034   7.766   7.522 -0.7497  0.6094 -0.4862
+ 1015SOL     OW 4616   2.136   0.780   7.574  0.0143  0.2455  0.2807
+ 1015SOL    HW1 4617   2.219   0.733   7.564  0.1713  0.7731 -0.9255
+ 1015SOL    HW2 4618   2.109   0.800   7.485 -1.0149  0.7834  0.7103
+ 1016SOL     OW 4619   1.260   0.384   0.200  0.5084 -0.4532  0.4046
+ 1016SOL    HW1 4620   1.349   0.353   0.214  0.1261 -1.3364  0.9246
+ 1016SOL    HW2 4621   1.232   0.417   0.286 -0.3211 -1.9218  0.7297
+ 1017SOL     OW 4622   1.705   2.522   6.727  0.4096  0.0826  0.3197
+ 1017SOL    HW1 4623   1.700   2.426   6.721 -0.7864  0.0400  1.7551
+ 1017SOL    HW2 4624   1.778   2.538   6.786  1.0464  0.0902 -0.4534
+ 1018SOL     OW 4625   6.827   7.581   7.385  0.5183  0.1267  0.4760
+ 1018SOL    HW1 4626   6.810   7.503   7.331 -0.6688 -0.1325  1.2183
+ 1018SOL    HW2 4627   6.821   7.550   7.475 -1.9551  1.4646  0.8112
+ 1019SOL     OW 4628   0.751   1.712   7.653  0.5566 -0.3580 -0.0765
+ 1019SOL    HW1 4629   0.775   1.632   7.605 -1.9636 -0.9903 -0.3788
+ 1019SOL    HW2 4630   0.742   1.779   7.585 -1.0066 -0.7535 -0.2742
+ 1020SOL     OW 4631   7.108   0.447   6.259 -0.2453 -0.3584  0.2122
+ 1020SOL    HW1 4632   7.019   0.464   6.291 -0.0675 -0.0783  0.5657
+ 1020SOL    HW2 4633   7.096   0.385   6.187 -0.7777  0.1408 -0.1374
+ 1021SOL     OW 4634   1.650   1.282   5.994 -0.3278  0.4499 -0.0662
+ 1021SOL    HW1 4635   1.571   1.295   6.048  0.2630 -1.9121  1.4696
+ 1021SOL    HW2 4636   1.644   1.190   5.966  2.5854 -0.1912  1.2826
+ 1022SOL     OW 4637   1.631   0.161   6.718 -0.3632  0.5804  0.3457
+ 1022SOL    HW1 4638   1.682   0.083   6.741  0.7777  0.7423 -1.5088
+ 1022SOL    HW2 4639   1.636   0.217   6.795  2.1471  0.5245  0.2594
+ 1023SOL     OW 4640   7.976   1.116   5.711  0.1739  0.6008 -0.4818
+ 1023SOL    HW1 4641   7.886   1.141   5.731 -0.0495  1.4052 -2.4202
+ 1023SOL    HW2 4642   7.997   1.050   5.777 -1.8308  0.3898 -0.0131
+ 1024SOL     OW 4643   3.295   7.898   0.060  0.4026  0.3790  0.1977
+ 1024SOL    HW1 4644   3.277   7.804   0.053 -0.2823  0.4393  1.0240
+ 1024SOL    HW2 4645   3.209   7.938   0.072  0.6887  1.1202 -0.1932
+ 1025SOL     OW 4646   7.768   7.818   0.972 -0.2822 -0.1182  0.3462
+ 1025SOL    HW1 4647   7.736   7.852   1.055 -0.8831 -1.2238  0.5772
+ 1025SOL    HW2 4648   7.855   7.857   0.961  1.3102 -2.6493  3.1833
+ 1026SOL     OW 4649   1.936   1.503   0.193  0.5655  0.2693  0.0460
+ 1026SOL    HW1 4650   1.985   1.523   0.114  2.1859 -0.9951  0.7072
+ 1026SOL    HW2 4651   1.893   1.419   0.174  0.4722  0.2632  0.2802
+ 1027SOL     OW 4652   2.733   0.964   6.238  0.1040 -0.0741  0.7871
+ 1027SOL    HW1 4653   2.730   0.868   6.247 -1.8511  0.0609  1.6460
+ 1027SOL    HW2 4654   2.681   0.983   6.160  1.4780  0.2275 -0.0844
+ 1028SOL     OW 4655   1.524   0.785   6.364 -0.5515  0.4111  1.1995
+ 1028SOL    HW1 4656   1.615   0.802   6.390 -0.5607 -0.3207  1.7234
+ 1028SOL    HW2 4657   1.491   0.725   6.431 -0.8323 -0.8449 -0.0306
+ 1029SOL     OW 4658   7.106   0.611   1.065 -0.5778 -0.6906  0.5149
+ 1029SOL    HW1 4659   7.077   0.540   1.123 -0.6771 -0.4738  0.7323
+ 1029SOL    HW2 4660   7.084   0.580   0.977 -1.1115 -0.7048  0.6461
+ 1030SOL     OW 4661   3.669   1.279   7.551  0.5494 -0.3665  0.3733
+ 1030SOL    HW1 4662   3.746   1.225   7.534  0.9697 -0.3479  2.1159
+ 1030SOL    HW2 4663   3.611   1.223   7.603 -1.2575 -0.8664 -2.1213
+ 1031SOL     OW 4664   0.172   7.548   0.622  0.0641  0.7281  0.2688
+ 1031SOL    HW1 4665   0.209   7.460   0.630  1.4560  0.9524 -2.9853
+ 1031SOL    HW2 4666   0.186   7.588   0.708 -0.0295 -1.9994  1.5941
+ 1032SOL     OW 4667   2.473   6.978   5.983 -0.2277 -0.7272  0.0854
+ 1032SOL    HW1 4668   2.424   6.896   5.986  0.1197 -1.0218 -1.6395
+ 1032SOL    HW2 4669   2.565   6.950   5.978 -0.1430 -0.2675 -1.1958
+ 1033SOL     OW 4670   2.556   1.504   7.232 -0.4512  0.1329 -0.2537
+ 1033SOL    HW1 4671   2.650   1.520   7.238 -0.0717 -2.6453  1.8949
+ 1033SOL    HW2 4672   2.517   1.592   7.228  2.2134  1.3037 -1.5081
+ 1034SOL     OW 4673   2.006   0.204   7.103 -0.4281 -0.5410 -0.5424
+ 1034SOL    HW1 4674   1.928   0.149   7.110  0.3285 -1.4539  0.9916
+ 1034SOL    HW2 4675   1.987   0.281   7.157 -1.2220  0.4323 -2.1555
+ 1035SOL     OW 4676   1.869   1.354   4.786  0.1520  0.3101  0.0828
+ 1035SOL    HW1 4677   1.774   1.343   4.788  0.3697 -1.6583  0.3978
+ 1035SOL    HW2 4678   1.890   1.358   4.692 -0.1772  0.2530  0.0050
+ 1036SOL     OW 4679   1.689   0.921   5.121 -0.4732  0.0722  0.2771
+ 1036SOL    HW1 4680   1.646   0.863   5.058 -0.5690  1.0672 -0.5852
+ 1036SOL    HW2 4681   1.630   0.995   5.130  1.1915  1.6310 -1.2003
+ 1037SOL     OW 4682   7.419   0.111   7.377 -0.4400 -0.7731  0.3308
+ 1037SOL    HW1 4683   7.427   0.206   7.363 -2.8666 -0.5787  0.1389
+ 1037SOL    HW2 4684   7.330   0.090   7.350  0.1091 -3.1521  0.2739
+ 1038SOL     OW 4685   0.075   0.319   7.451  0.0946  0.3574  0.2107
+ 1038SOL    HW1 4686   0.007   0.337   7.387  0.4693  3.7941  0.6595
+ 1038SOL    HW2 4687   0.157   0.331   7.403  0.3719  2.5873  1.1594
+ 1039SOL     OW 4688   7.542   7.838   6.287 -0.6246  0.3949  0.2124
+ 1039SOL    HW1 4689   7.481   7.910   6.268  0.9451  1.3062 -1.5376
+ 1039SOL    HW2 4690   7.625   7.881   6.305 -0.5242 -0.8175  3.0028
+ 1040SOL     OW 4691   3.342   1.231   7.475  0.3960  0.1482  0.0291
+ 1040SOL    HW1 4692   3.258   1.261   7.440 -0.1062 -0.2539  0.8818
+ 1040SOL    HW2 4693   3.380   1.179   7.404 -1.0321 -1.4274  0.3777
+ 1041SOL     OW 4694   0.184   2.086   5.838  0.5497 -0.2970 -0.1288
+ 1041SOL    HW1 4695   0.263   2.099   5.786  0.4567 -0.4675 -0.3173
+ 1041SOL    HW2 4696   0.191   2.149   5.909  2.0189 -1.9181  1.2228
+ 1042SOL     OW 4697   0.271   1.319   7.041 -0.1739 -0.5365 -0.0071
+ 1042SOL    HW1 4698   0.268   1.289   7.131 -1.1267 -1.5067 -0.3578
+ 1042SOL    HW2 4699   0.335   1.391   7.042  0.6501 -1.2681  1.2109
+ 1043SOL     OW 4700   1.873   1.536   7.809  0.0412 -0.1105  0.8051
+ 1043SOL    HW1 4701   1.788   1.497   7.827 -0.2413  0.4061  0.6266
+ 1043SOL    HW2 4702   1.928   1.463   7.780 -1.1398 -0.0451 -1.8119
+ 1044SOL     OW 4703   1.537   0.533   7.984  0.6831  0.8987 -0.0887
+ 1044SOL    HW1 4704   1.475   0.563   8.050 -0.1211  2.2977 -1.4538
+ 1044SOL    HW2 4705   1.492   0.460   7.941  1.5637 -0.5880  1.4649
+ 1045SOL     OW 4706   2.382   4.938   4.924 -0.3998  0.2752  0.7510
+ 1045SOL    HW1 4707   2.341   4.852   4.916  0.6064 -0.3044  1.7327
+ 1045SOL    HW2 4708   2.457   4.935   4.865 -0.9821  0.8527 -0.0157
+ 1046SOL     OW 4709   0.747   1.026   7.136 -1.0601 -0.0245 -0.3854
+ 1046SOL    HW1 4710   0.770   0.935   7.120 -1.0568 -0.0230 -0.3898
+ 1046SOL    HW2 4711   0.680   1.023   7.204  0.4540  0.0694  1.1852
+ 1047SOL     OW 4712   7.286   1.295   4.163 -0.2355 -0.4576  0.2192
+ 1047SOL    HW1 4713   7.268   1.376   4.115  1.1285 -0.6422 -0.6408
+ 1047SOL    HW2 4714   7.378   1.302   4.187 -0.2767 -1.4732  0.6814
+ 1048SOL     OW 4715   1.261   7.103   7.762 -0.0418  0.0173  0.0979
+ 1048SOL    HW1 4716   1.294   7.082   7.850 -1.3480 -3.7124 -0.2264
+ 1048SOL    HW2 4717   1.300   7.037   7.705  0.9373  2.5093 -2.2419
+ 1049SOL     OW 4718   7.396   0.371   7.913 -0.6275 -0.2107 -0.2421
+ 1049SOL    HW1 4719   7.426   0.348   8.001 -2.0972 -1.4108 -0.0316
+ 1049SOL    HW2 4720   7.443   0.452   7.892  1.3514 -1.0645  0.7780
+ 1050SOL     OW 4721   7.544   1.354   6.065  0.4885 -0.8054  0.3661
+ 1050SOL    HW1 4722   7.618   1.299   6.093  0.7682  0.3284  1.8917
+ 1050SOL    HW2 4723   7.584   1.424   6.015  0.3745 -0.5611  0.6190
+ 1051SOL     OW 4724   0.862   0.991   0.077 -0.0732  0.0144 -0.1039
+ 1051SOL    HW1 4725   0.818   1.072   0.103 -0.3356 -0.1594 -0.0060
+ 1051SOL    HW2 4726   0.894   0.953   0.158  0.5556  0.3132 -0.2126
+ 1052SOL     OW 4727   0.485   0.415   6.688  0.6079  0.2723  0.7924
+ 1052SOL    HW1 4728   0.423   0.447   6.755 -2.0541 -2.6519 -0.1458
+ 1052SOL    HW2 4729   0.487   0.485   6.623 -0.8559  0.9208  1.4023
+ 1053SOL     OW 4730   2.340   1.114   7.500  0.5247  0.3290 -0.1389
+ 1053SOL    HW1 4731   2.245   1.119   7.487  0.3158 -1.3379  0.5124
+ 1053SOL    HW2 4732   2.364   1.030   7.461  1.6701  0.5634  0.0613
+ 1054SOL     OW 4733   3.780   0.444   6.345 -0.2176 -0.2393  0.1449
+ 1054SOL    HW1 4734   3.824   0.495   6.278 -0.9577 -1.4539 -1.2952
+ 1054SOL    HW2 4735   3.770   0.504   6.419  1.3915  0.8442 -0.5100
+ 1055SOL     OW 4736   3.966   7.747   7.267  0.4498  0.1026  0.0772
+ 1055SOL    HW1 4737   4.028   7.676   7.253  2.0634  1.4402  0.3752
+ 1055SOL    HW2 4738   4.006   7.823   7.224 -1.6890  0.6337 -1.0635
+ 1056SOL     OW 4739   1.182   2.840   4.595 -0.2995 -0.2312 -0.4962
+ 1056SOL    HW1 4740   1.114   2.845   4.528 -1.7289 -1.3246  0.8333
+ 1056SOL    HW2 4741   1.144   2.784   4.663  1.2953  0.4861  1.0113
+ 1057SOL     OW 4742   0.585   7.925   1.320  0.1225  0.7797  0.0338
+ 1057SOL    HW1 4743   0.645   7.852   1.306  0.2585  0.8938  0.0235
+ 1057SOL    HW2 4744   0.508   7.903   1.268 -0.2293  0.1724  0.8043
+ 1058SOL     OW 4745   1.091   0.076   0.333  0.5489 -0.1589  0.6940
+ 1058SOL    HW1 4746   1.110   0.114   0.247 -0.9327  0.0955  0.4608
+ 1058SOL    HW2 4747   1.100  -0.018   0.321  0.3796 -0.1191  0.2727
+ 1059SOL     OW 4748   0.128   6.968   7.249 -0.6806 -0.6092 -0.3219
+ 1059SOL    HW1 4749   0.075   6.957   7.328  0.4996  0.0243  0.5821
+ 1059SOL    HW2 4750   0.088   6.909   7.185 -3.8223  1.4849 -0.3879
+ 1060SOL     OW 4751   3.801   6.996   0.359 -0.2388 -0.3099  0.6265
+ 1060SOL    HW1 4752   3.769   6.983   0.269  0.5537 -1.9117  0.5488
+ 1060SOL    HW2 4753   3.896   6.998   0.350 -0.1625 -0.3217  1.4160
+ 1061SOL     OW 4754   0.698   1.937   0.502 -0.1754  0.1676 -0.3322
+ 1061SOL    HW1 4755   0.727   1.933   0.411  0.5848 -1.0934 -0.0482
+ 1061SOL    HW2 4756   0.607   1.910   0.500 -0.0807 -0.1312 -0.6874
+ 1062SOL     OW 4757   0.480   1.061   6.901  0.0662  0.0454  0.0164
+ 1062SOL    HW1 4758   0.500   0.972   6.875  0.4947  0.0325  0.3777
+ 1062SOL    HW2 4759   0.536   1.077   6.977 -1.4235 -0.0614  1.1811
+ 1063SOL     OW 4760   0.436   0.394   6.357 -0.2205  0.1480  0.0884
+ 1063SOL    HW1 4761   0.438   0.366   6.266  0.4128  0.9847 -0.1691
+ 1063SOL    HW2 4762   0.380   0.331   6.402  0.4307 -0.9585 -0.6468
+ 1064SOL     OW 4763   6.925   0.698   7.305  0.5399  0.0461 -0.2290
+ 1064SOL    HW1 4764   6.983   0.688   7.230  0.2798  1.8411 -0.6901
+ 1064SOL    HW2 4765   6.973   0.755   7.365 -0.1467  0.3508  0.0338
+ 1065SOL     OW 4766   1.541   1.518   5.056  0.2477  0.2395  0.6194
+ 1065SOL    HW1 4767   1.526   1.608   5.083  0.7621 -0.1139  2.1178
+ 1065SOL    HW2 4768   1.612   1.487   5.113 -1.3718 -1.7730  1.6199
+ 1066SOL     OW 4769   0.608   0.670   6.605 -0.0053 -0.1102  0.6073
+ 1066SOL    HW1 4770   0.656   0.752   6.600  1.0979 -0.7875 -0.1588
+ 1066SOL    HW2 4771   0.521   0.694   6.635  0.1283  1.3970 -0.2142
+ 1067SOL     OW 4772   0.719   1.424   0.041  0.4046  0.2795 -0.0070
+ 1067SOL    HW1 4773   0.680   1.337   0.028  0.0091  0.4956 -0.2870
+ 1067SOL    HW2 4774   0.766   1.417   0.124  0.3429 -0.1919 -0.0082
+ 1068SOL     OW 4775   7.908   0.009   7.361 -0.3927 -0.3265 -0.4303
+ 1068SOL    HW1 4776   7.874   0.089   7.403 -0.9530 -0.6864 -0.1993
+ 1068SOL    HW2 4777   7.844  -0.012   7.294 -0.9835 -1.3860  0.4478
+ 1069SOL     OW 4778   1.869   0.422   6.652  0.0133 -0.6074  0.2703
+ 1069SOL    HW1 4779   1.883   0.460   6.565 -2.5539 -0.9599 -0.3397
+ 1069SOL    HW2 4780   1.826   0.492   6.702 -0.1354 -0.9952  0.6943
+ 1070SOL     OW 4781   7.479   0.076   7.729  0.1607  0.0174 -0.4022
+ 1070SOL    HW1 4782   7.539   0.141   7.693  2.2162 -2.2138 -1.0993
+ 1070SOL    HW2 4783   7.502   0.071   7.822 -0.6341  0.9088 -0.1396
+ 1071SOL     OW 4784   0.898   1.518   0.307  0.8644  0.3819 -0.0861
+ 1071SOL    HW1 4785   0.828   1.511   0.371 -0.1874  0.8841 -1.1618
+ 1071SOL    HW2 4786   0.966   1.570   0.351  0.0867  0.8637  0.5608
+ 1072SOL     OW 4787   1.136   1.668   7.162 -0.0606  0.4310  0.4526
+ 1072SOL    HW1 4788   1.052   1.623   7.175 -0.1949  0.9574  1.4541
+ 1072SOL    HW2 4789   1.133   1.743   7.221 -0.2370  2.3544 -1.9169
+ 1073SOL     OW 4790   1.251   7.865   7.919 -0.7971 -0.0122 -0.9278
+ 1073SOL    HW1 4791   1.224   7.778   7.889  2.8888 -1.5441 -0.1057
+ 1073SOL    HW2 4792   1.232   7.923   7.845  0.8887 -2.3598 -3.2943
+ 1074SOL     OW 4793   1.169   6.032   6.919  0.6395  0.1977  0.8648
+ 1074SOL    HW1 4794   1.247   6.086   6.905  0.8304 -0.1669  0.5431
+ 1074SOL    HW2 4795   1.153   5.990   6.835  0.8948 -0.7942  1.3040
+ 1075SOL     OW 4796   2.153   7.957   5.018  0.5039 -0.4467 -0.2525
+ 1075SOL    HW1 4797   2.247   7.967   5.000  0.3526 -0.9772 -1.3942
+ 1075SOL    HW2 4798   2.111   8.020   4.959  0.0097 -2.0469 -1.6492
+ 1076SOL     OW 4799   2.297   2.141   7.663 -0.2285 -0.2944  0.3437
+ 1076SOL    HW1 4800   2.238   2.201   7.616  1.2707  1.0186  0.0991
+ 1076SOL    HW2 4801   2.247   2.059   7.669 -2.1714  0.8398  0.3495
+ 1077SOL     OW 4802   0.458   1.421   7.737 -0.6505  0.3732 -0.9818
+ 1077SOL    HW1 4803   0.374   1.464   7.754 -0.4926 -0.1078  1.0304
+ 1077SOL    HW2 4804   0.481   1.378   7.819  2.0491  1.2854 -1.1998
+ 1078SOL     OW 4805   0.169   1.327   6.318 -0.5805 -0.1519 -0.2123
+ 1078SOL    HW1 4806   0.102   1.395   6.314 -0.3499  0.2183  1.6393
+ 1078SOL    HW2 4807   0.128   1.251   6.276 -1.4544  0.6292 -0.7955
+ 1079SOL     OW 4808   3.200   0.445   0.807 -0.3427 -0.4387 -0.2370
+ 1079SOL    HW1 4809   3.221   0.475   0.718  0.3876 -0.9302 -0.2304
+ 1079SOL    HW2 4810   3.215   0.522   0.862 -0.7933 -0.1326 -0.5351
+ 1080SOL     OW 4811   1.452   0.590   6.183  0.6712  0.4035 -0.5303
+ 1080SOL    HW1 4812   1.458   0.653   6.254 -0.1083  0.0257 -0.1265
+ 1080SOL    HW2 4813   1.502   0.514   6.214 -1.4657 -0.6129  0.5474
+ 1081SOL     OW 4814   7.944   1.332   5.942  0.0680 -0.3452  0.0669
+ 1081SOL    HW1 4815   8.040   1.325   5.938  0.2388  0.2087  2.4738
+ 1081SOL    HW2 4816   7.913   1.275   5.871  2.1425 -1.4619  0.0174
+ 1082SOL     OW 4817   0.572   1.793   5.976 -0.1016 -0.2540 -0.0028
+ 1082SOL    HW1 4818   0.662   1.805   5.946  0.1970 -0.6594  0.7279
+ 1082SOL    HW2 4819   0.525   1.868   5.939  0.0850 -1.1204 -2.0985
+ 1083SOL     OW 4820   1.644   1.150   6.523  0.4732  0.6183 -0.2517
+ 1083SOL    HW1 4821   1.572   1.111   6.572  2.0480 -0.0175  1.5891
+ 1083SOL    HW2 4822   1.634   1.115   6.434 -0.8312 -0.3405  0.2678
+ 1084SOL     OW 4823   1.107   0.288   0.868  0.7513 -0.6100 -0.3857
+ 1084SOL    HW1 4824   1.053   0.316   0.794  0.6949 -0.6723 -0.3682
+ 1084SOL    HW2 4825   1.197   0.293   0.836  0.8461  1.1013  0.1034
+ 1085SOL     OW 4826   7.746   1.487   5.714 -0.3182 -0.0531  0.6717
+ 1085SOL    HW1 4827   7.775   1.436   5.637 -0.6618  0.2351  0.3492
+ 1085SOL    HW2 4828   7.788   1.572   5.704 -0.6724  0.1170  0.5904
+ 1086SOL     OW 4829   0.223   1.523   7.387  0.3377  0.2740  0.8354
+ 1086SOL    HW1 4830   0.308   1.568   7.397 -1.0489  2.7973  1.7812
+ 1086SOL    HW2 4831   0.167   1.564   7.453 -1.9596 -0.5446 -0.5846
+ 1087SOL     OW 4832   3.085   7.900   1.470  0.1346 -0.0776 -0.0543
+ 1087SOL    HW1 4833   3.087   7.826   1.530  0.7673  0.5043  0.6588
+ 1087SOL    HW2 4834   3.013   7.955   1.501 -0.0916 -0.2025 -0.3533
+ 1088SOL     OW 4835   1.405   2.473   7.281  0.1376 -0.2488 -0.3904
+ 1088SOL    HW1 4836   1.376   2.382   7.287 -0.3063 -0.1029 -0.3731
+ 1088SOL    HW2 4837   1.469   2.473   7.210 -1.0798 -0.2520 -1.5003
+ 1089SOL     OW 4838   1.220   7.977   7.683  0.2196  0.1523 -0.0598
+ 1089SOL    HW1 4839   1.187   8.066   7.681  1.1600  0.5519  1.1625
+ 1089SOL    HW2 4840   1.152   7.924   7.642 -0.6654  1.3318 -0.1193
+ 1090SOL     OW 4841   7.977   2.050   7.108  0.6449  0.1504  0.6244
+ 1090SOL    HW1 4842   7.967   2.099   7.189 -0.3595  0.3145  0.4051
+ 1090SOL    HW2 4843   8.067   2.070   7.079  0.6679  0.8685  1.1805
+ 1091SOL     OW 4844   0.892   7.589   0.267  0.0513  0.9135 -0.4194
+ 1091SOL    HW1 4845   0.804   7.552   0.259  0.2431  0.6078 -1.1540
+ 1091SOL    HW2 4846   0.937   7.560   0.188  1.2997 -0.2276  0.6917
+ 1092SOL     OW 4847   2.879   1.928   7.322 -0.3933 -0.1069  0.1712
+ 1092SOL    HW1 4848   2.856   1.999   7.382  0.3627  0.5666 -0.3228
+ 1092SOL    HW2 4849   2.800   1.914   7.270  0.2450  2.1774 -1.5094
+ 1093SOL     OW 4850   1.082   0.588   5.830 -0.0130  0.2320  0.1228
+ 1093SOL    HW1 4851   0.998   0.629   5.849 -0.0423 -0.0736  0.6679
+ 1093SOL    HW2 4852   1.146   0.639   5.882  0.0080 -0.1385  0.4602
+ 1094SOL     OW 4853   0.237   1.638   0.154  0.0152 -0.4257 -0.1410
+ 1094SOL    HW1 4854   0.164   1.699   0.160  0.9295  0.7141 -0.4498
+ 1094SOL    HW2 4855   0.249   1.623   0.060  1.6974  1.2799 -0.2327
+ 1095SOL     OW 4856   7.929   6.706   0.291 -0.2622 -0.2720  0.0073
+ 1095SOL    HW1 4857   7.924   6.611   0.304 -2.5537 -0.4139 -1.4744
+ 1095SOL    HW2 4858   7.852   6.739   0.337  1.9526  1.1983  2.7837
+ 1096SOL     OW 4859   2.002   1.001   6.318 -0.0978 -0.2793  0.2879
+ 1096SOL    HW1 4860   2.089   0.964   6.299  0.3774  0.1974  1.5149
+ 1096SOL    HW2 4861   2.018   1.094   6.333 -0.8525 -0.1539  0.3325
+ 1097SOL     OW 4862   3.478   0.963   5.618  0.3801  0.1794  0.6364
+ 1097SOL    HW1 4863   3.458   0.871   5.603 -0.0060  0.3752 -0.0514
+ 1097SOL    HW2 4864   3.393   1.006   5.624  0.5602  0.5147  0.8167
+ 1098SOL     OW 4865   7.335   0.015   0.912 -0.2614  0.3897 -0.3230
+ 1098SOL    HW1 4866   7.394   0.076   0.868  0.0555  0.0278 -0.4045
+ 1098SOL    HW2 4867   7.339  -0.065   0.860  0.8432 -0.3656  0.8707
+ 1099SOL     OW 4868   0.695   0.357   0.129  0.1201 -0.0809 -0.5263
+ 1099SOL    HW1 4869   0.632   0.287   0.151  1.2147 -0.5047  1.3484
+ 1099SOL    HW2 4870   0.690   0.364   0.034 -0.5430 -2.2313 -0.6798
+ 1100SOL     OW 4871   0.868   2.212   7.070 -0.0767 -1.3674  0.0489
+ 1100SOL    HW1 4872   0.786   2.181   7.032 -0.8721 -0.9913  1.4281
+ 1100SOL    HW2 4873   0.912   2.132   7.100 -0.6256 -1.4395  0.6555
+ 1101SOL     OW 4874   0.825   7.600   7.042  0.2520 -0.0140 -0.4481
+ 1101SOL    HW1 4875   0.778   7.540   6.984 -0.5301  0.8308 -0.7009
+ 1101SOL    HW2 4876   0.871   7.660   6.984 -0.5463  0.8455 -0.2052
+ 1102SOL     OW 4877   2.079   2.303   6.646 -0.2046  0.2099 -0.3319
+ 1102SOL    HW1 4878   2.122   2.255   6.575 -1.2543  0.1989 -0.9798
+ 1102SOL    HW2 4879   2.085   2.395   6.620 -0.2552  0.2331 -0.2611
+ 1103SOL     OW 4880   1.092   1.970   0.574  0.1938 -0.5483  0.3893
+ 1103SOL    HW1 4881   1.084   1.988   0.480  0.5286 -2.1416  0.0540
+ 1103SOL    HW2 4882   1.186   1.972   0.591  0.1231 -0.1139  0.7189
+ 1104SOL     OW 4883   1.342   0.185   7.355  0.1832  0.8134  0.9520
+ 1104SOL    HW1 4884   1.381   0.204   7.270 -1.3685  0.9552  0.2720
+ 1104SOL    HW2 4885   1.305   0.268   7.384 -2.3551  0.0052  0.1585
+ 1105SOL     OW 4886   3.058   1.655   0.656  0.0474 -0.0308  0.0100
+ 1105SOL    HW1 4887   3.134   1.704   0.688 -0.9793  1.7714 -0.2355
+ 1105SOL    HW2 4888   3.093   1.568   0.636  2.2007  0.9509 -0.7361
+ 1106SOL     OW 4889   2.798   1.498   6.031  0.2840 -0.0979  0.2262
+ 1106SOL    HW1 4890   2.737   1.479   5.959  0.4809 -1.7135  0.4503
+ 1106SOL    HW2 4891   2.743   1.495   6.110  0.1798  1.0532  0.1948
+ 1107SOL     OW 4892   3.244   1.020   7.739  0.0390  0.2494  0.6536
+ 1107SOL    HW1 4893   3.232   0.965   7.817  1.9382 -0.9501  0.1224
+ 1107SOL    HW2 4894   3.239   0.959   7.666 -2.1500  1.4291 -0.2487
+ 1108SOL     OW 4895   0.667   0.080   0.390  0.1244 -0.3031  0.4327
+ 1108SOL    HW1 4896   0.598   0.051   0.329  0.5809  0.2117 -0.3335
+ 1108SOL    HW2 4897   0.736   0.014   0.380  0.8304  0.5957 -0.7259
+ 1109SOL     OW 4898   0.293   7.241   0.111  0.2743  0.8916  0.9582
+ 1109SOL    HW1 4899   0.303   7.291   0.030  1.2088  0.5020  0.8185
+ 1109SOL    HW2 4900   0.376   7.194   0.120 -0.4247 -0.3052  1.3048
+ 1110SOL     OW 4901   0.534   1.193   4.693  0.0779 -0.0823  0.1400
+ 1110SOL    HW1 4902   0.484   1.111   4.698 -1.0174  0.5451 -0.2821
+ 1110SOL    HW2 4903   0.577   1.200   4.778 -1.6625  0.0562  1.0227
+ 1111SOL     OW 4904   1.142   7.734   7.169  0.0450  0.0281 -0.0745
+ 1111SOL    HW1 4905   1.178   7.740   7.080 -0.2900  1.8668 -0.0925
+ 1111SOL    HW2 4906   1.159   7.819   7.208 -2.7091  0.3421  0.5399
+ 1112SOL     OW 4907   7.893   2.148   7.935 -0.2207  0.5627 -0.0465
+ 1112SOL    HW1 4908   7.974   2.157   7.885 -0.4056  1.4783 -0.1919
+ 1112SOL    HW2 4909   7.921   2.150   8.027 -0.0786  0.8790 -0.0968
+ 1113SOL     OW 4910   3.069   2.415   3.739  0.1523  0.0581 -0.0122
+ 1113SOL    HW1 4911   3.124   2.374   3.673 -0.6030 -0.3549 -0.3973
+ 1113SOL    HW2 4912   3.016   2.344   3.774 -1.0391  0.6547 -0.5593
+ 1114SOL     OW 4913   1.155   0.576   7.511  0.3146 -0.1661 -0.3489
+ 1114SOL    HW1 4914   1.067   0.541   7.521  0.1475 -0.0525 -1.3897
+ 1114SOL    HW2 4915   1.168   0.633   7.587 -1.3423  1.6182 -1.3678
+ 1115SOL     OW 4916   1.494   7.963   5.854  0.7613 -0.1641  0.3452
+ 1115SOL    HW1 4917   1.525   7.892   5.911  1.7313 -0.3782 -0.4399
+ 1115SOL    HW2 4918   1.533   7.945   5.769 -2.6014 -1.1996 -1.0842
+ 1116SOL     OW 4919   0.269   1.591   7.786 -0.0551  0.1363  0.5674
+ 1116SOL    HW1 4920   0.229   1.656   7.727  0.1431  0.7116  1.0549
+ 1116SOL    HW2 4921   0.355   1.628   7.808  0.5696 -0.8887 -0.1342
+ 1117SOL     OW 4922   2.873   0.660   7.335  0.2603 -0.3552 -0.0664
+ 1117SOL    HW1 4923   2.869   0.566   7.318 -1.7028 -0.6168  1.5735
+ 1117SOL    HW2 4924   2.893   0.666   7.429 -0.3295  0.8280 -0.0101
+ 1118SOL     OW 4925   1.857   1.282   6.672 -0.4639  0.1265 -0.6354
+ 1118SOL    HW1 4926   1.932   1.244   6.626  0.3733  0.9532  0.0409
+ 1118SOL    HW2 4927   1.782   1.231   6.640  0.5406 -1.5963 -0.3062
+ 1119SOL     OW 4928   0.055   1.226   1.130  0.2554  0.7855 -0.6774
+ 1119SOL    HW1 4929   0.105   1.145   1.118  0.1878  0.4704  1.0137
+ 1119SOL    HW2 4930   0.120   1.292   1.151  0.1700  0.8616 -0.6519
+ 1120SOL     OW 4931   1.841   1.816   6.820  0.4286 -0.0709  0.4604
+ 1120SOL    HW1 4932   1.746   1.805   6.829  0.3702 -0.8755 -1.0017
+ 1120SOL    HW2 4933   1.865   1.758   6.748  2.0776 -0.0504  0.9779
+ 1121SOL     OW 4934   0.224   2.080   7.610  0.0579 -0.4516  0.1207
+ 1121SOL    HW1 4935   0.252   1.997   7.571 -0.0552 -1.1078  1.4189
+ 1121SOL    HW2 4936   0.288   2.144   7.578  0.1982 -1.0457 -0.8169
+ 1122SOL     OW 4937   0.626   0.777   0.687  0.2100 -0.2029 -0.5976
+ 1122SOL    HW1 4938   0.583   0.857   0.718 -0.7194 -1.6402  1.9395
+ 1122SOL    HW2 4939   0.565   0.741   0.622 -1.1688 -0.8120  1.0130
+ 1123SOL     OW 4940   2.402   1.634   0.452 -0.0447  0.2725 -0.3369
+ 1123SOL    HW1 4941   2.323   1.606   0.407  0.1552 -1.3364  0.2970
+ 1123SOL    HW2 4942   2.403   1.729   0.441 -3.3943  0.6471  1.7070
+ 1124SOL     OW 4943   1.025   7.137   7.620  0.5473 -0.5845  0.0244
+ 1124SOL    HW1 4944   1.107   7.138   7.669  1.9568  0.4493 -2.2633
+ 1124SOL    HW2 4945   0.970   7.202   7.664  1.5292 -0.1527  0.6409
+ 1125SOL     OW 4946   1.416   0.631   5.677  0.8600 -0.0359 -0.5823
+ 1125SOL    HW1 4947   1.422   0.586   5.762 -0.0330  1.6068  0.3927
+ 1125SOL    HW2 4948   1.323   0.628   5.655  0.8167  1.0739 -0.6201
+ 1126SOL     OW 4949   0.302   0.602   7.535 -0.0669 -0.0601  0.4197
+ 1126SOL    HW1 4950   0.244   0.574   7.606  0.6636  2.4806  2.0462
+ 1126SOL    HW2 4951   0.335   0.519   7.498  0.2115 -1.4462  3.5824
+ 1127SOL     OW 4952   2.372   1.154   0.035  0.0531  0.3481  0.1561
+ 1127SOL    HW1 4953   2.395   1.162   0.128 -0.6215 -0.1010  0.3662
+ 1127SOL    HW2 4954   2.306   1.085   0.033  0.8987 -0.4409 -0.8008
+ 1128SOL     OW 4955   7.161   1.725   0.800  0.0031  0.0948 -0.2594
+ 1128SOL    HW1 4956   7.091   1.790   0.806  1.3485  1.5215  0.2680
+ 1128SOL    HW2 4957   7.132   1.664   0.732  0.0326  2.8817 -2.8730
+ 1129SOL     OW 4958   7.895   1.428   7.783 -0.8170 -0.3257  0.0815
+ 1129SOL    HW1 4959   7.866   1.438   7.693 -0.0426  0.5659 -0.0732
+ 1129SOL    HW2 4960   7.990   1.434   7.779 -0.8872  2.9389  1.3222
+ 1130SOL     OW 4961   1.363   3.472   0.059 -0.3269 -0.2228  0.7141
+ 1130SOL    HW1 4962   1.432   3.535   0.039  0.7131 -1.6565 -0.3082
+ 1130SOL    HW2 4963   1.390   3.433   0.142 -0.4535 -0.0317  0.8450
+ 1131SOL     OW 4964   1.707   1.110   7.759  0.1608  0.0588 -0.0592
+ 1131SOL    HW1 4965   1.782   1.051   7.768  0.0636  0.4419  4.2333
+ 1131SOL    HW2 4966   1.631   1.056   7.781 -0.4819  0.5848 -0.9411
+ 1132SOL     OW 4967   0.505   7.453   7.464  0.1334 -0.2760 -0.1445
+ 1132SOL    HW1 4968   0.551   7.369   7.468  3.5518  1.5360  0.4936
+ 1132SOL    HW2 4969   0.550   7.501   7.395  0.3205  2.1902  1.6458
+ 1133SOL     OW 4970   0.141   0.459   6.627  0.4440  0.0519  0.0929
+ 1133SOL    HW1 4971   0.193   0.451   6.706  0.5402  1.6243  0.2022
+ 1133SOL    HW2 4972   0.057   0.493   6.656  0.8236  1.6047 -0.5882
+ 1134SOL     OW 4973   2.617   0.831   1.324  0.3980  0.0306 -1.2434
+ 1134SOL    HW1 4974   2.606   0.789   1.410  1.8050  0.7526 -0.6965
+ 1134SOL    HW2 4975   2.535   0.879   1.310  0.3140  0.2238 -0.1262
+ 1135SOL     OW 4976   2.760   1.613   0.483 -0.1241 -0.0106 -0.4277
+ 1135SOL    HW1 4977   2.685   1.634   0.427 -0.0584  1.4007  0.0011
+ 1135SOL    HW2 4978   2.834   1.605   0.423 -0.1694  0.9141 -0.6048
+ 1136SOL     OW 4979   1.499   3.417   3.773  0.0445 -0.0470  0.7119
+ 1136SOL    HW1 4980   1.440   3.368   3.716 -0.1244 -0.2815  1.0902
+ 1136SOL    HW2 4981   1.533   3.487   3.717 -0.4623 -0.0109  0.4462
+ 1137SOL     OW 4982   0.138   2.213   7.837  0.1386  0.4887 -0.7365
+ 1137SOL    HW1 4983   0.216   2.263   7.862 -0.8243 -0.2796  4.3021
+ 1137SOL    HW2 4984   0.172   2.136   7.792  2.4357 -0.4502  2.4466
+ 1138SOL     OW 4985   0.830   0.763   7.131  0.2560  1.0541 -0.1125
+ 1138SOL    HW1 4986   0.771   0.696   7.097  0.4885  0.7650  0.0517
+ 1138SOL    HW2 4987   0.865   0.726   7.212  2.0370  0.4661 -1.1310
+ 1139SOL     OW 4988   1.149   2.258   6.177 -0.6332  0.1099 -0.1304
+ 1139SOL    HW1 4989   1.161   2.340   6.129  2.9139  0.5259  1.2859
+ 1139SOL    HW2 4990   1.206   2.196   6.132 -0.8331 -0.7207  0.7565
+ 1140SOL     OW 4991   1.266   0.072   6.936 -0.5284 -0.0057  0.6185
+ 1140SOL    HW1 4992   1.272   0.105   6.846  0.8105  1.5758  1.2723
+ 1140SOL    HW2 4993   1.240  -0.020   6.926 -0.9850  0.3165 -1.3563
+ 1141SOL     OW 4994   1.884   2.049   7.419  0.4055 -0.4469  1.1191
+ 1141SOL    HW1 4995   1.946   2.121   7.405 -0.6805  0.2493 -0.2466
+ 1141SOL    HW2 4996   1.809   2.090   7.463 -0.5964 -0.5272 -0.4694
+ 1142SOL     OW 4997   7.888   0.810   5.348 -0.2885  0.0860 -0.6475
+ 1142SOL    HW1 4998   7.923   0.721   5.345 -0.3092  0.0089  0.7505
+ 1142SOL    HW2 4999   7.850   0.825   5.262 -0.6330 -1.4066 -0.7623
+ 1143SOL     OW 5000   0.494   2.295   7.785 -0.4427  0.6678  0.3415
+ 1143SOL    HW1 5001   0.466   2.313   7.874  0.4526 -0.1924  0.8117
+ 1143SOL    HW2 5002   0.585   2.324   7.782 -1.0620  2.5575 -0.8889
+ 1144SOL     OW 5003   1.636   1.378   7.669 -0.2131  0.3031 -0.6028
+ 1144SOL    HW1 5004   1.564   1.383   7.732  0.9390  1.3507  0.6636
+ 1144SOL    HW2 5005   1.683   1.298   7.693 -0.7625 -0.2020 -1.2146
+ 1145SOL     OW 5006   2.682   0.480   6.765  0.1867 -0.2978 -0.1407
+ 1145SOL    HW1 5007   2.682   0.420   6.840 -0.1936  0.2402  0.2882
+ 1145SOL    HW2 5008   2.730   0.557   6.795 -1.9964  0.9194  0.3575
+ 1146SOL     OW 5009   0.760   2.016   6.468 -0.7118  0.4403  0.3240
+ 1146SOL    HW1 5010   0.782   2.102   6.432 -0.1825  0.5400  0.8826
+ 1146SOL    HW2 5011   0.735   2.033   6.558 -1.2672  0.0890  0.2384
+ 1147SOL     OW 5012   0.982   5.925   0.076 -0.1391 -0.0739  0.2384
+ 1147SOL    HW1 5013   0.900   5.910   0.030  0.4360  2.0995 -1.5762
+ 1147SOL    HW2 5014   0.964   6.000   0.134  0.2921 -0.2248  0.5761
+ 1148SOL     OW 5015   0.680   0.765   7.922  0.0825  0.2559 -0.0396
+ 1148SOL    HW1 5016   0.644   0.713   7.850 -0.9899  0.4753  0.3217
+ 1148SOL    HW2 5017   0.691   0.853   7.884 -0.3436  0.3347  0.0090
+ 1149SOL     OW 5018   2.246   2.568   7.042 -0.0132 -0.1317  0.0172
+ 1149SOL    HW1 5019   2.277   2.610   6.962  1.9718 -0.6097  0.5115
+ 1149SOL    HW2 5020   2.232   2.640   7.104 -1.6680  0.2485 -0.7827
+ 1150SOL     OW 5021   1.294   7.097   0.466 -0.2574 -0.2860  0.3741
+ 1150SOL    HW1 5022   1.372   7.140   0.433 -0.6347 -0.2879 -0.5271
+ 1150SOL    HW2 5023   1.320   7.006   0.478  0.0691 -0.1490  0.7114
+ 1151SOL     OW 5024   1.900   1.950   4.949 -0.4478 -0.0173 -0.3226
+ 1151SOL    HW1 5025   1.943   1.953   5.034  1.2031 -0.1778 -1.1242
+ 1151SOL    HW2 5026   1.966   1.983   4.888 -1.6141  0.1029 -1.5295
+ 1152SOL     OW 5027   0.948   1.839   7.285  0.4902 -0.4835  0.1752
+ 1152SOL    HW1 5028   0.861   1.802   7.299  0.5001 -0.6161 -0.1147
+ 1152SOL    HW2 5029   0.948   1.867   7.194  1.1182 -1.4757 -0.1376
+ 1153SOL     OW 5030   0.492   6.921   7.503  0.3005  0.4864 -0.3092
+ 1153SOL    HW1 5031   0.523   6.831   7.493 -1.4767 -0.1796  0.0013
+ 1153SOL    HW2 5032   0.568   6.969   7.534  1.0495 -1.0900  0.3567
+ 1154SOL     OW 5033   1.238   0.154   6.685 -0.1638  0.3377  0.4208
+ 1154SOL    HW1 5034   1.148   0.185   6.689 -0.7922 -1.1515 -1.4023
+ 1154SOL    HW2 5035   1.286   0.225   6.641 -0.5038  1.0023  1.1244
+ 1155SOL     OW 5036   2.621   3.382   6.056 -0.5782  0.0244 -0.3036
+ 1155SOL    HW1 5037   2.595   3.376   5.965 -1.2563 -0.7192 -0.0734
+ 1155SOL    HW2 5038   2.570   3.313   6.100  0.6186 -0.4107  0.4239
+ 1156SOL     OW 5039   0.982   2.030   5.202 -0.2985  0.0382 -0.0572
+ 1156SOL    HW1 5040   1.033   1.967   5.253 -1.2548 -1.2154 -0.6166
+ 1156SOL    HW2 5041   0.959   1.983   5.121  0.8718  1.8702 -1.4836
+ 1157SOL     OW 5042   0.122   2.708   4.683 -0.7316  0.2925 -0.0902
+ 1157SOL    HW1 5043   0.052   2.772   4.687 -0.2408  0.7842  0.8237
+ 1157SOL    HW2 5044   0.120   2.664   4.768 -0.3902 -0.1690 -0.3175
+ 1158SOL     OW 5045   0.996   1.861   0.040  0.0252 -0.2488  1.3365
+ 1158SOL    HW1 5046   1.000   1.767   0.056  0.4335 -0.5378 -0.3480
+ 1158SOL    HW2 5047   0.934   1.871  -0.033 -1.4217  0.9542  2.7012
+ 1159SOL     OW 5048   2.989   1.194   0.075 -0.2243 -0.0711  0.5275
+ 1159SOL    HW1 5049   2.895   1.177   0.075 -0.5967  1.9244  1.0522
+ 1159SOL    HW2 5050   3.008   1.229   0.161  0.7826  0.6861  0.0124
+ 1160SOL     OW 5051   0.588   0.997   7.601  0.4876  0.1863  0.0652
+ 1160SOL    HW1 5052   0.626   0.998   7.689  0.5639  1.7670  0.0271
+ 1160SOL    HW2 5053   0.658   1.030   7.544  0.0011  0.4083 -0.4056
+ 1161SOL     OW 5054   1.299   2.175   2.647  0.1062 -0.2381 -0.6179
+ 1161SOL    HW1 5055   1.206   2.168   2.627  0.2280  0.1112 -1.2985
+ 1161SOL    HW2 5056   1.341   2.116   2.585  0.2503 -1.2484  0.4170
+ 1162SOL     OW 5057   1.251   1.082   0.797 -0.1996  0.1360  0.0321
+ 1162SOL    HW1 5058   1.192   1.008   0.810  1.6180 -1.4093 -0.3009
+ 1162SOL    HW2 5059   1.334   1.054   0.835  0.2416  2.4343  0.8734
+ 1163SOL     OW 5060   2.692   3.695   1.106  0.9181  0.2114  0.4659
+ 1163SOL    HW1 5061   2.618   3.656   1.154 -1.3489  1.3107 -2.0243
+ 1163SOL    HW2 5062   2.713   3.630   1.039 -0.9196  1.8903 -1.8064
+ 1164SOL     OW 5063   1.331   2.165   7.557  0.3507 -0.2076  0.2185
+ 1164SOL    HW1 5064   1.388   2.097   7.591  2.7242  1.6942  0.1452
+ 1164SOL    HW2 5065   1.347   2.241   7.613 -0.3700  1.0570 -1.2457
+ 1165SOL     OW 5066   0.404   7.897   0.484  0.5151  0.3053 -0.0641
+ 1165SOL    HW1 5067   0.453   7.815   0.481  0.1655  0.0126  1.4394
+ 1165SOL    HW2 5068   0.455   7.953   0.543 -1.7988 -0.6443  3.0212
+ 1166SOL     OW 5069   3.285   0.498   0.567  0.2489 -0.6007 -0.4605
+ 1166SOL    HW1 5070   3.291   0.471   0.475 -1.1953  2.2960 -1.4776
+ 1166SOL    HW2 5071   3.363   0.551   0.582  0.1656 -0.5506 -0.1984
+ 1167SOL     OW 5072   0.753   7.353   0.042  0.0061  0.3056  0.6533
+ 1167SOL    HW1 5073   0.823   7.396  -0.008 -0.2023 -0.1808 -0.0646
+ 1167SOL    HW2 5074   0.791   7.338   0.128  0.3359  1.2564  0.6869
+ 1168SOL     OW 5075   0.517   0.660   0.120  0.2848  1.0451  0.1458
+ 1168SOL    HW1 5076   0.429   0.687   0.092 -0.0012 -0.9094 -0.9209
+ 1168SOL    HW2 5077   0.576   0.702   0.057  0.2218  3.2166  1.4839
+ 1169SOL     OW 5078   1.329   0.634   6.492  0.1325 -0.5791  0.5940
+ 1169SOL    HW1 5079   1.235   0.641   6.481  0.2445  0.0750 -0.0325
+ 1169SOL    HW2 5080   1.344   0.655   6.584 -0.4108 -1.5865  0.9145
+ 1170SOL     OW 5081   0.971   2.758   0.119 -0.6654  0.1405  0.9457
+ 1170SOL    HW1 5082   1.006   2.762   0.208  1.6275  4.1691  0.0230
+ 1170SOL    HW2 5083   0.897   2.818   0.121 -0.6601  0.1671  0.2008
+ 1171SOL     OW 5084   2.527   0.306   5.552 -0.5025  0.1120 -0.4030
+ 1171SOL    HW1 5085   2.499   0.338   5.466  1.5407 -0.8089 -1.4652
+ 1171SOL    HW2 5086   2.555   0.384   5.599 -2.5123  0.7372 -0.2183
+ 1172SOL     OW 5087   0.980   2.113   0.780 -0.1027 -0.0866 -0.1313
+ 1172SOL    HW1 5088   0.910   2.171   0.750 -0.2608  0.1243  0.6104
+ 1172SOL    HW2 5089   0.989   2.047   0.712  1.7367  2.1830 -2.1883
+ 1173SOL     OW 5090   3.986   0.358   7.018 -0.4900  0.3591  0.2583
+ 1173SOL    HW1 5091   3.987   0.445   7.058  0.2796  0.5472 -0.1715
+ 1173SOL    HW2 5092   4.056   0.310   7.063 -0.2479  0.2778 -0.2048
+ 1174SOL     OW 5093   0.555   2.030   7.885  0.2229 -0.2001 -0.0030
+ 1174SOL    HW1 5094   0.526   2.109   7.841 -1.4035 -1.0269 -0.4524
+ 1174SOL    HW2 5095   0.509   2.030   7.969  1.3677  0.0866  0.6320
+ 1175SOL     OW 5096   0.708   2.066   0.956  0.3145 -0.3478 -1.2491
+ 1175SOL    HW1 5097   0.695   1.972   0.962 -0.0971 -0.1236  2.2045
+ 1175SOL    HW2 5098   0.801   2.079   0.976  0.4272 -0.0239 -1.9590
+ 1176SOL     OW 5099   1.133   2.873   1.823 -0.1487  0.6220  0.1755
+ 1176SOL    HW1 5100   1.168   2.871   1.734 -0.5930  0.7731 -0.0067
+ 1176SOL    HW2 5101   1.169   2.953   1.862 -1.2038  1.3943 -0.3946
+ 1177SOL     OW 5102   0.417   7.849   1.109  0.7930  0.5563 -0.2899
+ 1177SOL    HW1 5103   0.388   7.918   1.050  0.7030  2.1157  1.5291
+ 1177SOL    HW2 5104   0.379   7.769   1.073 -3.8882  2.1938  0.6915
+ 1178SOL     OW 5105   1.490   1.128   0.203 -0.2069  0.1345 -0.0550
+ 1178SOL    HW1 5106   1.550   1.058   0.180 -1.8340 -0.9797 -1.0058
+ 1178SOL    HW2 5107   1.508   1.146   0.296  0.6701 -1.0769  0.0164
+ 1179SOL     OW 5108   1.509   1.208   0.492  0.3698 -0.2577 -0.3143
+ 1179SOL    HW1 5109   1.420   1.240   0.477 -0.6043 -2.5048  0.4439
+ 1179SOL    HW2 5110   1.549   1.275   0.547 -0.7283  0.9364 -0.9333
+ 1180SOL     OW 5111   7.083   0.263   0.055 -0.1999  0.3484 -0.5748
+ 1180SOL    HW1 5112   7.100   0.200  -0.015 -0.1532 -0.9540  0.6024
+ 1180SOL    HW2 5113   7.165   0.267   0.104 -0.4251  0.8129 -0.2406
+ 1181SOL     OW 5114   0.863   0.061   7.931  0.0606  0.0149 -0.0716
+ 1181SOL    HW1 5115   0.906   0.138   7.894 -1.7423  0.3059 -1.6091
+ 1181SOL    HW2 5116   0.896   0.057   8.021  1.5969  1.4897 -0.5315
+ 1182SOL     OW 5117   6.115   1.927   0.375  0.3826 -0.1215 -0.2255
+ 1182SOL    HW1 5118   6.197   1.975   0.366  0.3114 -0.0476 -0.5050
+ 1182SOL    HW2 5119   6.121   1.857   0.310  0.5533 -0.5852  0.2914
+ 1183SOL     OW 5120   7.806   0.874   7.852  0.4049 -0.0574 -0.4094
+ 1183SOL    HW1 5121   7.819   0.803   7.790  1.6409 -0.0619 -0.1671
+ 1183SOL    HW2 5122   7.881   0.932   7.837  1.3163 -0.6254  1.8305
+ 1184SOL     OW 5123   0.807   2.931   1.253  0.6316 -0.0003  0.1511
+ 1184SOL    HW1 5124   0.790   2.994   1.323 -0.6211 -1.1324  0.8808
+ 1184SOL    HW2 5125   0.838   2.852   1.299 -1.3778 -1.1716 -0.4519
+ 1185SOL     OW 5126   3.585   7.383   6.131 -0.2558 -0.0471 -0.3685
+ 1185SOL    HW1 5127   3.648   7.340   6.074 -0.9651 -0.7940 -0.6169
+ 1185SOL    HW2 5128   3.603   7.476   6.123  0.6778 -0.2424 -0.5806
+ 1186SOL     OW 5129   2.137   2.381   0.658 -0.3794  0.2529 -0.5602
+ 1186SOL    HW1 5130   2.158   2.296   0.698 -2.1748 -1.5222 -3.2081
+ 1186SOL    HW2 5131   2.054   2.407   0.698 -1.0620 -0.4532 -1.4944
+ 1187SOL     OW 5132   0.580   1.105   1.318 -0.1225  0.0101  0.2229
+ 1187SOL    HW1 5133   0.675   1.109   1.326  0.1166  0.1996 -2.4747
+ 1187SOL    HW2 5134   0.560   1.158   1.241 -2.2384 -1.7244 -0.4709
+ 1188SOL     OW 5135   1.613   2.205   7.173  0.2966 -0.2217 -0.0591
+ 1188SOL    HW1 5136   1.665   2.268   7.224 -0.6030  1.4090 -1.0918
+ 1188SOL    HW2 5137   1.522   2.225   7.197  0.0005 -1.0973 -0.4435
+ 1189SOL     OW 5138   0.879   0.031   0.755  0.1531 -0.1274 -0.2352
+ 1189SOL    HW1 5139   0.808   0.040   0.819  0.3776  0.8275 -0.1108
+ 1189SOL    HW2 5140   0.914  -0.057   0.769  0.8618  0.4340  1.6579
+ 1190SOL     OW 5141   0.976   7.361   7.828 -0.4538  0.2048 -0.4422
+ 1190SOL    HW1 5142   1.031   7.418   7.773 -1.6615  1.2954 -0.5261
+ 1190SOL    HW2 5143   1.018   7.363   7.914  0.2259  0.2076 -0.7695
+ 1191SOL     OW 5144   2.062   1.157   7.208  0.5449 -0.0731 -0.0366
+ 1191SOL    HW1 5145   1.983   1.119   7.169  2.0393 -0.3171 -2.9526
+ 1191SOL    HW2 5146   2.094   1.088   7.267  0.0437 -1.0508 -0.8784
+ 1192SOL     OW 5147   2.505   0.721   6.866  0.4397 -0.0547 -0.0579
+ 1192SOL    HW1 5148   2.469   0.649   6.816  0.0636 -1.1276  1.7086
+ 1192SOL    HW2 5149   2.581   0.750   6.816 -1.3759  0.6025 -2.5444
+ 1193SOL     OW 5150   7.077   0.337   0.414  0.1650 -0.4555  0.2930
+ 1193SOL    HW1 5151   7.136   0.279   0.366 -1.1324 -0.4656 -1.3082
+ 1193SOL    HW2 5152   7.024   0.277   0.467 -0.7368 -0.6932 -0.8717
+ 1194SOL     OW 5153   2.487   1.952   7.420  0.0367 -0.2978  0.1390
+ 1194SOL    HW1 5154   2.525   2.031   7.381 -0.7931 -0.6322 -1.3948
+ 1194SOL    HW2 5155   2.502   1.961   7.514  0.7119  1.2711 -0.1162
+ 1195SOL     OW 5156   0.796   7.105   6.983 -0.0635  0.2185 -0.3115
+ 1195SOL    HW1 5157   0.833   7.018   6.997  2.6809  1.4788  0.5985
+ 1195SOL    HW2 5158   0.734   7.117   7.055 -0.1016 -0.7640 -0.1703
+ 1196SOL     OW 5159   2.203   1.901   2.017 -0.2530 -0.2709 -0.1296
+ 1196SOL    HW1 5160   2.206   1.805   2.021 -0.3266 -0.2660  0.0485
+ 1196SOL    HW2 5161   2.152   1.926   2.095  1.8218  0.0322  1.1566
+ 1197SOL     OW 5162   2.390   7.244   5.965  0.0861  0.3515 -0.2969
+ 1197SOL    HW1 5163   2.422   7.154   5.974  0.0781  0.5624  2.0376
+ 1197SOL    HW2 5164   2.462   7.291   5.923  0.3083 -0.5970 -1.0126
+ 1198SOL     OW 5165   1.236   7.937   2.081 -0.5641 -0.4877  0.2351
+ 1198SOL    HW1 5166   1.242   7.847   2.048 -0.9336  0.1138 -1.5278
+ 1198SOL    HW2 5167   1.163   7.935   2.143 -1.0972 -1.2134 -0.4116
+ 1199SOL     OW 5168   1.778   2.329   6.960 -0.2453  0.4675 -0.5149
+ 1199SOL    HW1 5169   1.791   2.416   6.996  0.0922 -0.1657  0.9667
+ 1199SOL    HW2 5170   1.751   2.276   7.036 -1.3026 -0.5111 -1.5505
+ 1200SOL     OW 5171   0.789   1.457   0.774 -0.4079 -0.0714 -0.6884
+ 1200SOL    HW1 5172   0.727   1.484   0.842  0.4065 -1.3029  0.5754
+ 1200SOL    HW2 5173   0.745   1.478   0.692 -1.2846  1.7329  0.2088
+ 1201SOL     OW 5174   0.336   1.424   6.537 -0.2212 -0.3289 -0.7173
+ 1201SOL    HW1 5175   0.295   1.371   6.469 -0.6520  1.1103 -1.6058
+ 1201SOL    HW2 5176   0.428   1.399   6.535 -0.7790 -2.5555  0.3167
+ 1202SOL     OW 5177   0.573   1.258   1.075 -0.2466 -0.4006  0.3056
+ 1202SOL    HW1 5178   0.645   1.213   1.031 -0.2124  0.0099 -0.0617
+ 1202SOL    HW2 5179   0.558   1.336   1.022 -0.1904  0.1087  1.0261
+ 1203SOL     OW 5180   2.296   6.796   7.930  0.1681  0.0813 -0.1395
+ 1203SOL    HW1 5181   2.307   6.855   7.855 -0.0964 -0.4813 -0.6168
+ 1203SOL    HW2 5182   2.283   6.710   7.892 -0.5858 -0.1142  0.5462
+ 1204SOL     OW 5183   6.504   1.963   7.224  0.6445  0.1987 -0.7275
+ 1204SOL    HW1 5184   6.528   2.023   7.153 -0.9130 -0.0188 -1.4463
+ 1204SOL    HW2 5185   6.577   1.970   7.287  0.7358  2.4336 -1.0463
+ 1205SOL     OW 5186   0.819   0.983   7.797  0.1798  0.6956 -0.3601
+ 1205SOL    HW1 5187   0.834   1.070   7.759 -0.8761  1.1683  0.2816
+ 1205SOL    HW2 5188   0.848   0.992   7.888 -1.2580  0.7921  0.0959
+ 1206SOL     OW 5189   1.189   0.922   7.618 -0.2163 -0.3239 -0.5157
+ 1206SOL    HW1 5190   1.095   0.942   7.613 -0.3916 -1.1312 -0.6743
+ 1206SOL    HW2 5191   1.198   0.874   7.700  0.0165 -0.4437 -0.6116
+ 1207SOL     OW 5192   7.543   0.989   7.583 -0.2929  0.4476  0.7560
+ 1207SOL    HW1 5193   7.502   0.994   7.669  0.4808 -0.7930  1.2032
+ 1207SOL    HW2 5194   7.604   0.915   7.589 -2.2722 -1.4828 -1.6993
+ 1208SOL     OW 5195   6.680   1.299   1.870 -0.0255 -1.0703 -0.0152
+ 1208SOL    HW1 5196   6.641   1.319   1.785 -1.1495 -0.8181  0.5581
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+ 1209SOL     OW 5198   0.183   0.773   6.764 -0.1676 -0.6225  0.3151
+ 1209SOL    HW1 5199   0.179   0.863   6.795 -0.5935 -0.8831  1.0275
+ 1209SOL    HW2 5200   0.221   0.724   6.837 -0.1586 -1.0608  0.0228
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+ 1210SOL    HW1 5202   6.344   0.181   1.678 -0.6217  2.0277  1.7387
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+ 1211SOL     OW 5204   7.790   6.885   7.978 -0.1897 -0.1992  0.0344
+ 1211SOL    HW1 5205   7.763   6.950   8.044  0.4485 -1.3346  1.4358
+ 1211SOL    HW2 5206   7.726   6.815   7.987  0.6115 -0.9042  0.2980
+ 1212SOL     OW 5207   0.758   1.782   0.702 -0.2747 -0.0494  0.0268
+ 1212SOL    HW1 5208   0.685   1.810   0.758 -1.2031 -2.4717  0.0568
+ 1212SOL    HW2 5209   0.753   1.840   0.626 -2.6633 -0.6405 -0.2959
+ 1213SOL     OW 5210   3.546   1.062   7.679  0.1973 -0.5857 -0.0998
+ 1213SOL    HW1 5211   3.466   1.074   7.628 -0.1918 -0.6920  0.4854
+ 1213SOL    HW2 5212   3.538   0.975   7.717  1.1247 -1.0647 -0.9665
+ 1214SOL     OW 5213   1.001   3.180   0.478  0.6803  0.2339 -0.4308
+ 1214SOL    HW1 5214   1.067   3.250   0.474  0.8953  0.0696  0.1619
+ 1214SOL    HW2 5215   0.958   3.194   0.562 -0.6469  0.8792 -1.2063
+ 1215SOL     OW 5216   1.220   0.785   0.563 -0.3594  0.1991 -0.3328
+ 1215SOL    HW1 5217   1.186   0.873   0.549  0.7636  0.5306 -1.0249
+ 1215SOL    HW2 5218   1.315   0.795   0.557 -0.2473 -1.1383 -0.8409
+ 1216SOL     OW 5219   1.726   1.204   7.301 -0.5172  0.5238 -0.1906
+ 1216SOL    HW1 5220   1.671   1.225   7.226 -1.7083  0.8825  0.7615
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+ 1217SOL     OW 5222   6.339   1.033   2.563  0.6794 -0.0632 -0.1258
+ 1217SOL    HW1 5223   6.261   1.043   2.507  1.5098 -1.2175 -1.5269
+ 1217SOL    HW2 5224   6.394   1.107   2.540 -0.1211  0.9371  1.1017
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+ 1218SOL    HW1 5226   1.960   1.014   7.511  1.4743  0.4874 -0.4618
+ 1218SOL    HW2 5227   1.910   1.143   7.451  2.8147 -0.0586 -2.8068
+ 1219SOL     OW 5228   7.392   1.291   1.314 -0.2604  0.0579  0.2127
+ 1219SOL    HW1 5229   7.431   1.327   1.234 -2.5273 -1.3012 -1.5688
+ 1219SOL    HW2 5230   7.419   1.199   1.314 -0.3942  0.0182  0.9375
+ 1220SOL     OW 5231   7.617   0.911   1.064  0.2576  0.3716 -0.4910
+ 1220SOL    HW1 5232   7.596   0.884   0.975 -0.6395  1.4492 -0.6254
+ 1220SOL    HW2 5233   7.669   0.990   1.053  0.5272  0.2506 -0.0673
+ 1221SOL     OW 5234   0.647   2.989   1.033 -0.4285  0.9834  0.8320
+ 1221SOL    HW1 5235   0.603   2.907   1.011  1.7457  0.0612 -0.1147
+ 1221SOL    HW2 5236   0.708   2.966   1.103  0.1928  1.8003  0.5654
+ 1222SOL     OW 5237   7.124   2.531   2.493  0.2463 -0.2086  0.2690
+ 1222SOL    HW1 5238   7.075   2.612   2.483 -0.5193 -0.7420 -0.4153
+ 1222SOL    HW2 5239   7.179   2.545   2.570 -0.6153  0.5871  0.7503
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+ 1223SOL    HW1 5241   1.783   3.046   1.733  0.5084  1.2908  1.1523
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+ 1224SOL    HW1 5244   1.577   3.533   6.824  1.4259  2.0601 -0.2335
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+ 1226SOL    HW1 5250   0.259   2.964   0.727 -1.9536 -1.1271 -0.5128
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+ 1254SOL    HW1 5334   1.858   3.115   2.862  0.0435 -1.4877 -2.6250
+ 1254SOL    HW2 5335   1.977   3.197   2.817  0.1645  0.5420  1.1728
+ 1255SOL     OW 5336   2.192   2.656   7.364 -0.0429 -0.1820  0.2530
+ 1255SOL    HW1 5337   2.119   2.658   7.426 -0.5295 -0.4795 -0.3096
+ 1255SOL    HW2 5338   2.158   2.699   7.286  1.0299  1.4707  0.6800
+ 1256SOL     OW 5339   4.217   4.385   0.863  0.2516 -0.4681 -0.3127
+ 1256SOL    HW1 5340   4.248   4.470   0.832  1.4894 -0.9047 -0.3064
+ 1256SOL    HW2 5341   4.126   4.400   0.887  0.3993  0.8048 -0.5077
+ 1257SOL     OW 5342   6.730   5.388   6.115  0.1589 -0.1876  0.3051
+ 1257SOL    HW1 5343   6.758   5.302   6.084 -0.7144 -0.3541 -0.0430
+ 1257SOL    HW2 5344   6.636   5.378   6.132  0.2513  0.4085  1.2570
+ 1258SOL     OW 5345   0.821   2.569   0.399 -0.1337  0.8358 -0.7102
+ 1258SOL    HW1 5346   0.811   2.511   0.475 -1.3699  1.5299 -0.3319
+ 1258SOL    HW2 5347   0.846   2.653   0.436 -0.7155  1.1714 -1.0811
+ 1259SOL     OW 5348   1.171   2.907   1.233  0.1742 -0.2892  0.1387
+ 1259SOL    HW1 5349   1.168   2.929   1.326 -2.1143  0.7157 -0.1378
+ 1259SOL    HW2 5350   1.086   2.937   1.198  2.3028  2.5011 -2.9739
+ 1260SOL     OW 5351   0.690   1.501   2.082  0.1889 -0.5717  0.3969
+ 1260SOL    HW1 5352   0.683   1.405   2.082 -0.8405 -0.5657 -3.0234
+ 1260SOL    HW2 5353   0.781   1.518   2.056  0.5822 -0.6184  1.7371
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+ 1261SOL    HW2 5356   0.736   1.212   1.785 -0.3916 -0.5093  0.3342
+ 1262SOL     OW 5357   2.291   3.944   1.291  0.0813  0.1693  0.1722
+ 1262SOL    HW1 5358   2.274   3.946   1.197  1.2596  0.0601 -0.0514
+ 1262SOL    HW2 5359   2.329   4.029   1.311 -1.0472  0.5575  0.7389
+ 1263SOL     OW 5360   5.674   0.801   0.315  0.0887 -0.0968 -0.1616
+ 1263SOL    HW1 5361   5.620   0.880   0.327 -1.1733 -1.2578  2.3603
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+ 1264SOL     OW 5363   0.216   3.700   7.865  0.4917 -0.1657 -0.7034
+ 1264SOL    HW1 5364   0.306   3.679   7.886  0.1643  0.9319  1.9153
+ 1264SOL    HW2 5365   0.172   3.707   7.949 -2.4317 -2.2648 -1.9781
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+ 1265SOL    HW1 5367   6.991   1.508   1.991 -0.2121 -0.6619 -0.4689
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+ 1267SOL    HW1 5373   0.522   3.837   7.018  0.4293 -0.1159 -0.6924
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+ 1268SOL    HW1 5376   0.717   2.601   1.350  0.2532 -1.2220 -0.2988
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+ 1269SOL     OW 5378   1.502   3.758   7.930  0.0448 -0.0156 -0.1870
+ 1269SOL    HW1 5379   1.477   3.755   7.837 -2.1779 -0.5509  0.4064
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+ 1270SOL    HW1 5382   7.838   1.463   0.610 -2.4807  1.6802  0.8338
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+ 1271SOL    HW1 5385   1.264   1.532   0.753 -1.7818  0.4689 -1.2162
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+ 1272SOL     OW 5387   1.988   3.648   6.680  0.8885  0.2053  0.4146
+ 1272SOL    HW1 5388   1.956   3.564   6.649 -0.6185 -0.6847  4.0709
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+ 1273SOL    HW1 5391   0.310   3.101   1.415  1.1785 -0.1435 -0.5771
+ 1273SOL    HW2 5392   0.241   2.972   1.375 -1.1023  0.7689  0.3433
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+ 1274SOL    HW2 5395   1.376   3.577   2.886  0.5231  2.5082  0.0704
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+ 1275SOL    HW1 5397   0.977   2.009   0.933 -2.5008 -1.4029 -0.4344
+ 1275SOL    HW2 5398   1.017   2.044   1.075 -0.1738  1.7091 -1.7974
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+ 1276SOL    HW1 5400   1.611   3.331   7.835 -2.1517 -1.0048 -0.7008
+ 1276SOL    HW2 5401   1.650   3.454   7.756  1.3580 -0.6999  1.4132
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+ 1277SOL    HW1 5403   1.272   4.933   0.194 -0.2609  1.8638  0.5130
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+ 1278SOL    HW1 5406   1.778   3.248   0.315  0.1933 -0.3104  0.8808
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+ 1279SOL     OW 5408   6.859   2.267   2.620 -0.2232 -0.1232  0.1422
+ 1279SOL    HW1 5409   6.796   2.337   2.608 -0.9900 -0.3943  2.3616
+ 1279SOL    HW2 5410   6.894   2.281   2.708 -0.1624 -2.3179  0.4997
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+ 1280SOL    HW1 5412   2.104   3.477   0.684  0.2684  0.2878 -0.6433
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+ 1281SOL     OW 5414   0.571   3.641   0.375 -0.0020  0.1590 -0.2311
+ 1281SOL    HW1 5415   0.525   3.570   0.421  0.6531  0.5443  1.0502
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+ 1282SOL    HW1 5418   0.896   3.066   7.487  0.1255 -0.4595 -0.6481
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+ 1283SOL    HW1 5421   0.430   4.580   2.250  1.2403  2.6700  1.6156
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+ 1285SOL    HW1 5427   1.595   1.846   1.019 -0.4326 -0.8108  0.4112
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+ 1286SOL    HW2 5431   2.020   1.870   2.326  1.9531 -2.5772  0.7553
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+ 1287SOL    HW1 5433   7.134   2.414   7.853 -0.6491  0.6088 -0.4396
+ 1287SOL    HW2 5434   7.001   2.343   7.863 -0.4157  0.3463  0.8523
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+ 1288SOL    HW1 5436   6.512   2.961   0.752 -1.4361  2.4024  1.8684
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+ 1290SOL    HW1 5442   2.940   2.329   2.508 -0.0861  0.5992 -0.2826
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+ 1291SOL    HW2 5446   6.577   2.925   1.120  0.1961  0.2278 -1.3999
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+ 1292SOL    HW1 5448   1.006   2.885   0.362  0.3198  0.2498  2.8751
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+ 1293SOL    HW1 5451   0.078   0.541   0.027  0.0267  0.3435 -0.2957
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+ 1324SOL    HW2 5545   7.896   3.017   0.288  0.6228  1.7037 -1.7675
+ 1325SOL     OW 5546   0.969   4.284   1.466 -0.1143  0.4284 -0.0266
+ 1325SOL    HW1 5547   1.006   4.356   1.516  0.2057  0.6791 -0.6249
+ 1325SOL    HW2 5548   0.924   4.326   1.393  3.9770 -0.1305 -3.0201
+ 1326SOL     OW 5549   7.613   5.191   0.392  0.4380  0.2048 -0.6621
+ 1326SOL    HW1 5550   7.639   5.272   0.436 -2.1580 -0.1300  1.6355
+ 1326SOL    HW2 5551   7.547   5.218   0.328  0.3158  0.0308 -0.6085
+ 1327SOL     OW 5552   0.447   2.138   0.977 -0.2726 -0.6302 -0.4136
+ 1327SOL    HW1 5553   0.537   2.106   0.987 -0.4488 -1.0098  0.0037
+ 1327SOL    HW2 5554   0.393   2.060   0.991 -0.6237 -0.7291 -2.2771
+ 1328SOL     OW 5555   0.788   4.436   7.646  0.1353  0.5408 -0.1829
+ 1328SOL    HW1 5556   0.748   4.364   7.694  1.0264  0.4005  0.3489
+ 1328SOL    HW2 5557   0.714   4.480   7.603 -0.6727  0.6970  1.3460
+ 1329SOL     OW 5558   1.535   1.210   2.845  0.2500 -0.0558  0.0313
+ 1329SOL    HW1 5559   1.446   1.227   2.877  0.7225 -0.7593  1.8069
+ 1329SOL    HW2 5560   1.576   1.161   2.916  1.8344 -0.3696 -1.0889
+ 1330SOL     OW 5561   3.056   2.488   1.829  0.5205 -0.6070 -0.1583
+ 1330SOL    HW1 5562   3.064   2.504   1.923  0.0435 -1.8024  0.0956
+ 1330SOL    HW2 5563   3.069   2.574   1.789 -0.4614  0.1365  1.0669
+ 1331SOL     OW 5564   0.056   2.177   1.966 -0.0181  0.6590 -0.2639
+ 1331SOL    HW1 5565   0.091   2.264   1.985  2.2673 -0.0121 -1.3223
+ 1331SOL    HW2 5566   0.107   2.118   2.021 -0.5179 -0.1811 -0.6913
+ 1332SOL     OW 5567   0.119   1.310   1.888 -0.0108 -0.0480 -0.3435
+ 1332SOL    HW1 5568   0.135   1.338   1.978 -1.0842 -1.8098  0.4220
+ 1332SOL    HW2 5569   0.164   1.375   1.834  0.9671  0.8095  1.4684
+ 1333SOL     OW 5570   0.502   2.756   1.056 -0.4674 -0.0045  0.3665
+ 1333SOL    HW1 5571   0.419   2.762   1.104 -0.6623  0.0810  0.0182
+ 1333SOL    HW2 5572   0.478   2.720   0.970 -0.2290  0.6074  0.0425
+ 1334SOL     OW 5573   1.310   3.564   1.198 -0.0175 -0.1113  0.1662
+ 1334SOL    HW1 5574   1.374   3.554   1.268  0.8857  0.0271 -0.6255
+ 1334SOL    HW2 5575   1.355   3.617   1.132 -1.1441  0.4518 -0.1562
+ 1335SOL     OW 5576   1.811   3.681   0.915 -0.4230  0.0026 -0.4607
+ 1335SOL    HW1 5577   1.818   3.775   0.896  1.8783  0.1803  1.0966
+ 1335SOL    HW2 5578   1.893   3.659   0.959 -3.1883 -1.5147  4.3365
+ 1336SOL     OW 5579   5.837   1.527   1.727 -0.2717 -0.1379  0.2742
+ 1336SOL    HW1 5580   5.878   1.452   1.684 -1.4182 -1.4551  1.4338
+ 1336SOL    HW2 5581   5.905   1.595   1.728  0.8215 -1.2053 -0.6511
+ 1337SOL     OW 5582   0.542   5.086   0.242 -0.3480 -0.1544  0.1505
+ 1337SOL    HW1 5583   0.618   5.039   0.275 -0.9016  0.0709  1.7689
+ 1337SOL    HW2 5584   0.559   5.178   0.263 -0.8451 -0.0441  0.0860
+ 1338SOL     OW 5585   7.792   2.257   3.274  0.5052  0.5499  0.2200
+ 1338SOL    HW1 5586   7.748   2.314   3.337 -1.3664 -2.2458  1.5417
+ 1338SOL    HW2 5587   7.722   2.222   3.219  1.4980 -1.1188 -0.0319
+ 1339SOL     OW 5588   1.433   2.964   2.294 -0.0479  0.2595 -0.1668
+ 1339SOL    HW1 5589   1.487   2.903   2.345 -0.3331 -0.0665 -0.2533
+ 1339SOL    HW2 5590   1.350   2.918   2.282 -0.7770  1.2529  1.0009
+ 1340SOL     OW 5591   7.491   3.424   7.758 -0.5646  0.1898 -0.6262
+ 1340SOL    HW1 5592   7.487   3.519   7.757 -2.2284  0.1666  0.7800
+ 1340SOL    HW2 5593   7.399   3.397   7.766 -0.1787 -1.5457 -1.7723
+ 1341SOL     OW 5594   2.023   2.053   7.927 -0.8376  0.0441 -0.0632
+ 1341SOL    HW1 5595   2.046   2.017   7.842  0.8554  0.0565  0.3685
+ 1341SOL    HW2 5596   2.072   1.999   7.990 -0.1897  1.5294  0.7430
+ 1342SOL     OW 5597   0.199   1.456   2.140 -0.0981  0.1650  0.2284
+ 1342SOL    HW1 5598   0.281   1.491   2.104  0.0003  0.5181  0.7892
+ 1342SOL    HW2 5599   0.143   1.533   2.150 -0.9960 -0.2555 -1.4417
+ 1343SOL     OW 5600   7.299   4.117   2.331 -0.5627  0.3147 -0.3038
+ 1343SOL    HW1 5601   7.376   4.167   2.303 -0.5300  0.7699  0.5731
+ 1343SOL    HW2 5602   7.307   4.113   2.426 -0.1506 -2.0152 -0.4044
+ 1344SOL     OW 5603   1.655   1.344   2.353 -0.6009 -0.0459  0.9603
+ 1344SOL    HW1 5604   1.737   1.305   2.381  1.5078  2.1764 -1.7781
+ 1344SOL    HW2 5605   1.664   1.437   2.374 -0.4950  1.0129 -3.2528
+ 1345SOL     OW 5606   7.108   1.787   2.262  0.0436  0.2676  0.0325
+ 1345SOL    HW1 5607   7.164   1.865   2.263 -1.6239  1.5048  0.9729
+ 1345SOL    HW2 5608   7.152   1.725   2.321 -0.7926  2.1654  2.7676
+ 1346SOL     OW 5609   0.978   3.534   7.860 -0.3461  0.0336 -0.1611
+ 1346SOL    HW1 5610   1.028   3.553   7.939  1.2877 -1.4414 -0.8325
+ 1346SOL    HW2 5611   0.925   3.457   7.883 -1.5489  0.9614  0.2117
+ 1347SOL     OW 5612   0.753   2.689   5.852  0.0529 -0.6334 -0.2915
+ 1347SOL    HW1 5613   0.716   2.757   5.796 -0.3678 -0.4213  0.2395
+ 1347SOL    HW2 5614   0.845   2.713   5.862  0.3441 -1.1580 -1.6167
+ 1348SOL     OW 5615   0.890   3.677   0.418  0.0550 -0.0350  0.0676
+ 1348SOL    HW1 5616   0.903   3.652   0.510  1.0381 -0.2627 -0.1310
+ 1348SOL    HW2 5617   0.909   3.597   0.369  0.5207  0.3638 -0.4025
+ 1349SOL     OW 5618   1.390   1.957   6.752 -0.2927  0.0901  0.8857
+ 1349SOL    HW1 5619   1.340   1.997   6.824  1.1713  1.4387  1.1901
+ 1349SOL    HW2 5620   1.324   1.938   6.685 -1.4920  0.0307  2.0527
+ 1350SOL     OW 5621   7.752   1.792   1.968 -0.5343  0.4395  0.1775
+ 1350SOL    HW1 5622   7.687   1.754   2.026 -2.2329  1.4279 -1.0238
+ 1350SOL    HW2 5623   7.784   1.869   2.015 -0.9261  0.4883  0.3612
+ 1351SOL     OW 5624   1.011   2.254   0.236  0.1763 -0.1351  0.2866
+ 1351SOL    HW1 5625   0.940   2.291   0.289 -0.0369 -0.6405  0.3545
+ 1351SOL    HW2 5626   1.012   2.161   0.257  0.1009 -0.3416 -0.5870
+ 1352SOL     OW 5627   0.397   1.399   0.228  0.1840  0.3275 -0.7572
+ 1352SOL    HW1 5628   0.356   1.485   0.238 -3.4959 -1.5798  1.7115
+ 1352SOL    HW2 5629   0.465   1.398   0.295 -3.3174 -0.5382  2.9727
+ 1353SOL     OW 5630   0.201   2.249   0.329 -0.4275 -0.6660 -0.5124
+ 1353SOL    HW1 5631   0.222   2.209   0.414 -0.7350 -0.9843 -0.5870
+ 1353SOL    HW2 5632   0.280   2.297   0.305 -0.8930  0.8128  0.7586
+ 1354SOL     OW 5633   0.622   3.514   0.061  0.0736  0.5122 -0.0947
+ 1354SOL    HW1 5634   0.687   3.503   0.131 -0.6398  1.4574  0.7280
+ 1354SOL    HW2 5635   0.625   3.431   0.012  1.1291  0.1413  0.5861
+ 1355SOL     OW 5636   6.545   4.765   0.498  0.0924  0.2639  0.1837
+ 1355SOL    HW1 5637   6.549   4.669   0.497 -1.4076  0.1991 -0.5380
+ 1355SOL    HW2 5638   6.635   4.792   0.518  0.1658 -1.3167  2.1314
+ 1356SOL     OW 5639   0.996   2.172   2.534 -0.3786 -0.3884  0.2482
+ 1356SOL    HW1 5640   0.962   2.260   2.516 -0.4601 -0.7221 -1.3134
+ 1356SOL    HW2 5641   0.927   2.130   2.586 -1.5742 -0.4455 -1.3495
+ 1357SOL     OW 5642   1.680   3.397   0.385  0.2229 -0.0491 -0.0675
+ 1357SOL    HW1 5643   1.705   3.482   0.420 -1.4871  0.6592 -0.5458
+ 1357SOL    HW2 5644   1.642   3.350   0.459 -1.4768  0.6807 -0.4555
+ 1358SOL     OW 5645   0.771   3.790   1.182 -0.0698  0.4959  0.4348
+ 1358SOL    HW1 5646   0.858   3.760   1.153 -0.4818  0.0654 -0.3748
+ 1358SOL    HW2 5647   0.789   3.841   1.261  0.8825  0.0739  0.5036
+ 1359SOL     OW 5648   1.748   0.991   1.789  0.1906  0.3285  0.6707
+ 1359SOL    HW1 5649   1.782   1.025   1.707 -0.0046 -3.4985 -1.1354
+ 1359SOL    HW2 5650   1.807   0.919   1.812 -0.7224  0.2657  2.9799
+ 1360SOL     OW 5651   3.178   3.571   6.586  0.0850 -0.3879 -0.3431
+ 1360SOL    HW1 5652   3.210   3.481   6.592  1.2004  0.0200 -0.1338
+ 1360SOL    HW2 5653   3.221   3.617   6.658  1.7627  0.9939 -2.1938
+ 1361SOL     OW 5654   7.591   2.597   7.797  0.1374 -0.1329  0.5824
+ 1361SOL    HW1 5655   7.552   2.671   7.751  1.1811  0.3828  0.5252
+ 1361SOL    HW2 5656   7.637   2.548   7.730  0.2340 -0.3183  0.7825
+ 1362SOL     OW 5657   1.688   1.995   2.149 -0.1816  0.3091  0.0307
+ 1362SOL    HW1 5658   1.734   1.925   2.103 -1.1413  0.0267 -0.4945
+ 1362SOL    HW2 5659   1.599   1.994   2.114 -0.1299  1.9897 -0.2029
+ 1363SOL     OW 5660   0.008   0.490   1.724 -0.1125 -0.2101 -0.6993
+ 1363SOL    HW1 5661  -0.084   0.501   1.700  0.2247  3.2090 -0.6929
+ 1363SOL    HW2 5662   0.046   0.439   1.652 -1.8218 -0.9431 -1.0968
+ 1364SOL     OW 5663   0.734   2.070   2.114  0.1811 -0.4159 -0.7776
+ 1364SOL    HW1 5664   0.798   2.137   2.092 -0.5626  0.4143 -0.4645
+ 1364SOL    HW2 5665   0.661   2.085   2.054 -1.0083  0.5943  0.8795
+ 1365SOL     OW 5666   0.067   0.758   1.244  0.0751  0.1659 -0.0984
+ 1365SOL    HW1 5667  -0.004   0.779   1.182  0.3218 -0.4983 -0.6130
+ 1365SOL    HW2 5668   0.054   0.666   1.264  1.1593 -0.1138 -0.6693
+ 1366SOL     OW 5669   0.736   3.001   1.518 -0.7711  0.3464 -0.0579
+ 1366SOL    HW1 5670   0.673   2.930   1.524 -0.8680  0.4146 -0.2580
+ 1366SOL    HW2 5671   0.764   3.017   1.608 -1.0230  0.3002  0.0280
+ 1367SOL     OW 5672   0.634   3.437   0.588  0.6382 -0.1476 -0.1593
+ 1367SOL    HW1 5673   0.722   3.466   0.564  0.8650 -0.5600  0.1796
+ 1367SOL    HW2 5674   0.633   3.440   0.683  0.1562  0.2258 -0.1732
+ 1368SOL     OW 5675   2.639   3.329   1.554 -0.0963  0.0326 -0.0728
+ 1368SOL    HW1 5676   2.719   3.380   1.572  1.2001 -1.7409 -0.7235
+ 1368SOL    HW2 5677   2.639   3.261   1.621 -1.3156  0.2871  0.1931
+ 1369SOL     OW 5678   1.637   5.496   0.914  0.5316 -0.3531  0.1071
+ 1369SOL    HW1 5679   1.578   5.571   0.915  0.3699 -0.4840  0.8939
+ 1369SOL    HW2 5680   1.667   5.490   0.823 -0.5700 -0.2130 -0.2790
+ 1370SOL     OW 5681   1.450   3.748   1.851 -0.2173  0.1929 -0.6666
+ 1370SOL    HW1 5682   1.470   3.742   1.944  0.3534  0.6683 -0.7561
+ 1370SOL    HW2 5683   1.438   3.657   1.824  0.8733 -0.0517 -0.3956
+ 1371SOL     OW 5684   0.702   3.863   4.073 -0.0831 -0.3136  0.2976
+ 1371SOL    HW1 5685   0.615   3.870   4.032 -0.4710 -0.7282  1.0368
+ 1371SOL    HW2 5686   0.734   3.777   4.047 -0.1861 -0.4396  0.5859
+ 1372SOL     OW 5687   6.670   4.167   3.225 -0.3762 -0.6063 -0.2032
+ 1372SOL    HW1 5688   6.706   4.097   3.279  1.0028 -0.5078 -0.9491
+ 1372SOL    HW2 5689   6.735   4.178   3.155  0.3218  2.5844  0.8672
+ 1373SOL     OW 5690   1.632   3.699   7.558  0.5749  0.1422 -0.6130
+ 1373SOL    HW1 5691   1.617   3.608   7.535  0.4553  0.0162 -0.0291
+ 1373SOL    HW2 5692   1.547   3.733   7.584  0.9356 -0.0694  0.8892
+ 1374SOL     OW 5693   2.195   2.043   7.115  0.3024 -0.2113  0.1850
+ 1374SOL    HW1 5694   2.171   1.961   7.072  0.6737 -0.2618  0.0725
+ 1374SOL    HW2 5695   2.191   2.023   7.208  1.6702 -0.7237  0.1378
+ 1375SOL     OW 5696   2.063   4.250   1.903  0.1905  0.0848 -0.6095
+ 1375SOL    HW1 5697   2.019   4.200   1.972 -1.2590 -0.3595 -1.8211
+ 1375SOL    HW2 5698   2.077   4.336   1.941 -2.4810  0.4736 -0.4341
+ 1376SOL     OW 5699   1.418   3.998   0.989  0.3692 -0.3579  0.2605
+ 1376SOL    HW1 5700   1.337   4.050   0.989  0.3070 -0.4487 -0.5832
+ 1376SOL    HW2 5701   1.390   3.909   1.010  0.1821 -0.4740 -0.4453
+ 1377SOL     OW 5702   1.315   3.520   7.319 -0.4440  0.2339 -0.0818
+ 1377SOL    HW1 5703   1.284   3.430   7.319  0.9919 -0.2813  1.3373
+ 1377SOL    HW2 5704   1.236   3.572   7.303 -1.4996 -1.1980  0.3731
+ 1378SOL     OW 5705   7.629   4.505   0.760  0.1252 -0.3502 -0.7127
+ 1378SOL    HW1 5706   7.600   4.414   0.752  0.5868 -0.5856  0.2410
+ 1378SOL    HW2 5707   7.696   4.503   0.828  1.8360  0.3073 -2.3342
+ 1379SOL     OW 5708   2.703   3.690   6.742 -0.2074  0.0239  0.2241
+ 1379SOL    HW1 5709   2.668   3.644   6.818 -2.4643 -0.8026 -1.2388
+ 1379SOL    HW2 5710   2.696   3.626   6.671 -0.5016  1.6232 -1.2026
+ 1380SOL     OW 5711   1.600   1.651   1.805  0.2038  0.1718 -0.2231
+ 1380SOL    HW1 5712   1.673   1.714   1.807  1.1322 -0.7919 -2.1028
+ 1380SOL    HW2 5713   1.585   1.629   1.897  2.0447  0.6721  0.2259
+ 1381SOL     OW 5714   0.915   1.996   2.796  0.0503 -1.3563  0.4478
+ 1381SOL    HW1 5715   0.856   2.064   2.764  1.0977 -0.9278 -0.5955
+ 1381SOL    HW2 5716   0.925   2.014   2.889  1.6868  0.9662 -0.1427
+ 1382SOL     OW 5717   7.803   3.379   0.806  0.1011  0.0974 -0.1228
+ 1382SOL    HW1 5718   7.731   3.394   0.867 -1.2488 -1.5034 -1.2289
+ 1382SOL    HW2 5719   7.794   3.449   0.741  1.3447  1.6104  1.3183
+ 1383SOL     OW 5720   1.163   5.021   1.369  1.0501 -0.2754  0.3400
+ 1383SOL    HW1 5721   1.221   5.097   1.375  0.1323  0.4050  0.7049
+ 1383SOL    HW2 5722   1.110   5.038   1.291  0.0393  0.0314  1.0889
+ 1384SOL     OW 5723   0.272   2.385   2.679  0.3339 -0.2228 -0.2475
+ 1384SOL    HW1 5724   0.248   2.476   2.695  0.7227 -0.2726  0.6376
+ 1384SOL    HW2 5725   0.254   2.340   2.761 -1.4805 -1.2986 -1.2104
+ 1385SOL     OW 5726   0.658   3.208   0.886 -0.2070 -0.7172  0.6105
+ 1385SOL    HW1 5727   0.571   3.226   0.851 -0.2872  1.8120  1.9671
+ 1385SOL    HW2 5728   0.647   3.129   0.938 -1.3040 -1.3746 -0.5833
+ 1386SOL     OW 5729   2.360   2.871   7.139 -0.3571  0.4353 -0.2317
+ 1386SOL    HW1 5730   2.432   2.840   7.194 -2.5197 -3.5736  0.5008
+ 1386SOL    HW2 5731   2.399   2.879   7.052  0.9732 -1.7890  0.1263
+ 1387SOL     OW 5732   7.412   2.594   1.596 -0.3046  0.0939 -0.4403
+ 1387SOL    HW1 5733   7.498   2.633   1.582 -0.8667  1.5337 -0.0176
+ 1387SOL    HW2 5734   7.398   2.538   1.520  0.4051  0.9797 -1.2364
+ 1388SOL     OW 5735   2.467   2.501   1.160  0.2873  0.5548 -0.4000
+ 1388SOL    HW1 5736   2.517   2.428   1.122  0.7535  1.0229 -0.6887
+ 1388SOL    HW2 5737   2.421   2.540   1.086  0.7642  1.1249 -0.4023
+ 1389SOL     OW 5738   1.487   1.928   1.689 -0.0813  0.2608  0.0923
+ 1389SOL    HW1 5739   1.574   1.940   1.652  0.1815 -0.3716  0.5015
+ 1389SOL    HW2 5740   1.481   1.993   1.759  0.8682 -1.1279  1.4843
+ 1390SOL     OW 5741   1.187   0.976   0.230 -0.0574  0.0489  0.3635
+ 1390SOL    HW1 5742   1.203   1.006   0.320  0.3220  0.8582  0.0353
+ 1390SOL    HW2 5743   1.159   0.885   0.240  1.6030 -0.4059  1.1813
+ 1391SOL     OW 5744   0.890   3.187   0.718  0.4329 -0.2455  0.6181
+ 1391SOL    HW1 5745   0.872   3.096   0.698 -0.0670  0.0234 -0.1435
+ 1391SOL    HW2 5746   0.808   3.221   0.754  1.1587 -0.5871  2.6846
+ 1392SOL     OW 5747   4.328   1.658   0.161  0.5693 -0.6070 -0.6096
+ 1392SOL    HW1 5748   4.370   1.686   0.242  0.3557 -1.1805 -0.2931
+ 1392SOL    HW2 5749   4.327   1.736   0.105  0.0002 -0.0041  0.2372
+ 1393SOL     OW 5750   1.546   2.622   7.703 -0.1124  0.4639 -0.0688
+ 1393SOL    HW1 5751   1.490   2.642   7.629  0.5520  0.7932 -0.4830
+ 1393SOL    HW2 5752   1.625   2.674   7.689 -0.2127  0.9651  1.1585
+ 1394SOL     OW 5753   7.724   4.976   1.559  0.2147 -0.2174 -0.2850
+ 1394SOL    HW1 5754   7.717   4.885   1.590  0.3260 -0.0857  0.1308
+ 1394SOL    HW2 5755   7.789   4.972   1.490 -0.1571 -0.5453 -0.6197
+ 1395SOL     OW 5756   7.849   2.704   1.953  0.2195 -0.0059  0.7357
+ 1395SOL    HW1 5757   7.835   2.610   1.953 -0.7917  0.1207 -1.0933
+ 1395SOL    HW2 5758   7.793   2.737   1.883  3.2687  1.5173 -1.1136
+ 1396SOL     OW 5759   0.253   3.823   0.637  0.4233 -1.0421 -0.2248
+ 1396SOL    HW1 5760   0.337   3.862   0.611 -0.8002  0.3988 -2.1495
+ 1396SOL    HW2 5761   0.257   3.820   0.732  1.4796  1.8519 -0.1071
+ 1397SOL     OW 5762   1.550   2.202   1.341 -0.0477  0.0422 -0.1850
+ 1397SOL    HW1 5763   1.615   2.209   1.412  0.8034 -0.7146 -0.8699
+ 1397SOL    HW2 5764   1.492   2.276   1.355  0.1631 -0.0338  1.2568
+ 1398SOL     OW 5765   0.080   1.049   7.110 -0.7723 -0.2816  0.1885
+ 1398SOL    HW1 5766   0.025   1.126   7.123 -0.8512 -0.4982  1.1283
+ 1398SOL    HW2 5767   0.147   1.056   7.178  0.6568  0.2295 -1.2343
+ 1399SOL     OW 5768   2.462   3.611   7.879 -0.2329  0.3679 -0.2672
+ 1399SOL    HW1 5769   2.381   3.646   7.915  0.1361  0.9624 -0.0113
+ 1399SOL    HW2 5770   2.444   3.519   7.864 -1.7216  0.9711 -2.3574
+ 1400SOL     OW 5771   2.252   2.880   2.723 -0.3488  0.2953  0.0910
+ 1400SOL    HW1 5772   2.193   2.858   2.796 -0.5549  2.4126  0.6010
+ 1400SOL    HW2 5773   2.202   2.942   2.670  0.8271  0.8550 -0.3678
+ 1401SOL     OW 5774   1.756   4.383   0.162  0.2163  0.1359  0.0004
+ 1401SOL    HW1 5775   1.686   4.428   0.115  0.8259  2.3646  1.1837
+ 1401SOL    HW2 5776   1.754   4.420   0.250  2.8031  0.1519  0.0968
+ 1402SOL     OW 5777   1.694   1.637   2.380 -0.3807 -0.2931  0.0766
+ 1402SOL    HW1 5778   1.787   1.617   2.370 -0.7312 -1.4111 -1.0444
+ 1402SOL    HW2 5779   1.684   1.654   2.474  0.7326 -1.3312  0.4026
+ 1403SOL     OW 5780   1.157   4.002   2.519  0.0383 -0.0316 -0.5574
+ 1403SOL    HW1 5781   1.156   3.914   2.556  0.4115  0.4581  0.6493
+ 1403SOL    HW2 5782   1.074   4.010   2.473  0.2478 -1.2132 -1.1827
+ 1404SOL     OW 5783   0.215   4.381   1.717 -0.1484  0.1029  0.3929
+ 1404SOL    HW1 5784   0.236   4.386   1.810 -0.2394 -1.8929  0.5499
+ 1404SOL    HW2 5785   0.124   4.352   1.714  0.4559 -1.8150 -0.2978
+ 1405SOL     OW 5786   2.777   2.169   1.308  0.1273 -0.4431  0.2280
+ 1405SOL    HW1 5787   2.809   2.254   1.340 -0.2112 -1.2405  2.7804
+ 1405SOL    HW2 5788   2.855   2.113   1.309 -0.0602 -0.7006  0.5158
+ 1406SOL     OW 5789   1.976   2.561   6.827  0.5634  0.6154  0.2648
+ 1406SOL    HW1 5790   2.034   2.636   6.815  0.2563  0.6828 -0.8469
+ 1406SOL    HW2 5791   2.004   2.521   6.909  1.1615  1.5613  0.5201
+ 1407SOL     OW 5792   0.409   2.394   0.050  0.5282  0.7100  0.3790
+ 1407SOL    HW1 5793   0.455   2.408   0.133  1.0820  1.6682 -0.0820
+ 1407SOL    HW2 5794   0.349   2.468   0.044  0.3467  0.5324  0.0066
+ 1408SOL     OW 5795   2.872   1.777   1.537 -0.1161  0.2853  0.0650
+ 1408SOL    HW1 5796   2.857   1.686   1.511 -0.3996  0.5672 -0.7855
+ 1408SOL    HW2 5797   2.927   1.813   1.468  0.0278  0.7522  0.4192
+ 1409SOL     OW 5798   1.977   2.365   2.590  0.4992  0.2205 -0.5541
+ 1409SOL    HW1 5799   2.021   2.445   2.618  0.5581  0.5699 -1.6020
+ 1409SOL    HW2 5800   2.041   2.321   2.534 -0.2498  0.4223 -1.5838
+ 1410SOL     OW 5801   0.918   3.571   0.668 -0.2642  0.0711  0.0467
+ 1410SOL    HW1 5802   0.942   3.617   0.749 -0.3451  0.5061 -0.1729
+ 1410SOL    HW2 5803   0.967   3.489   0.672 -0.2837  0.0821  0.5465
+ 1411SOL     OW 5804   0.992   5.170   2.592  0.0121  0.5576 -0.0844
+ 1411SOL    HW1 5805   1.084   5.179   2.616  0.6298 -1.2845 -1.6359
+ 1411SOL    HW2 5806   0.988   5.198   2.501 -0.6304 -1.0401 -0.5566
+ 1412SOL     OW 5807   7.210   2.494   1.736 -0.4525  0.6883 -0.0413
+ 1412SOL    HW1 5808   7.270   2.548   1.685 -1.5450  0.5083 -1.5374
+ 1412SOL    HW2 5809   7.263   2.420   1.764  0.1636  0.7733 -0.9552
+ 1413SOL     OW 5810   0.754   2.846   7.281 -0.3345 -0.2921  0.0349
+ 1413SOL    HW1 5811   0.756   2.918   7.344 -0.9931  0.1389 -0.4240
+ 1413SOL    HW2 5812   0.752   2.890   7.196 -1.5867 -0.8360 -0.2290
+ 1414SOL     OW 5813   2.981   2.809   0.964 -0.2388  0.2388  0.0912
+ 1414SOL    HW1 5814   3.031   2.859   1.028  0.0382 -0.7861  0.6849
+ 1414SOL    HW2 5815   2.902   2.783   1.010 -0.5117  0.3540 -0.3045
+ 1415SOL     OW 5816   0.365   3.153   2.339 -0.5432 -0.2696 -0.2649
+ 1415SOL    HW1 5817   0.367   3.068   2.294 -1.5997 -0.4145 -0.0485
+ 1415SOL    HW2 5818   0.457   3.180   2.342 -0.2830 -1.0241 -1.0546
+ 1416SOL     OW 5819   7.687   3.322   2.640 -0.3918 -0.6447  0.6794
+ 1416SOL    HW1 5820   7.767   3.287   2.600 -1.2248 -1.9047  0.0877
+ 1416SOL    HW2 5821   7.709   3.332   2.732  0.7077 -0.1937  0.3867
+ 1417SOL     OW 5822   1.040   1.748   1.455 -0.1971 -0.3187  0.6837
+ 1417SOL    HW1 5823   1.067   1.804   1.528  1.7724 -0.9570  0.4610
+ 1417SOL    HW2 5824   1.069   1.660   1.480 -0.0262 -0.6390 -0.6109
+ 1418SOL     OW 5825   1.619   2.904   6.600 -0.5537 -0.2625  0.2228
+ 1418SOL    HW1 5826   1.632   2.999   6.600 -0.1856 -0.3147 -0.3451
+ 1418SOL    HW2 5827   1.526   2.893   6.621 -1.0604  0.2883 -1.6448
+ 1419SOL     OW 5828   0.533   2.594   7.640  0.0627 -0.3535  0.6116
+ 1419SOL    HW1 5829   0.569   2.605   7.729  2.5956 -0.0452 -0.4117
+ 1419SOL    HW2 5830   0.608   2.566   7.588 -1.1954  0.4337 -1.6464
+ 1420SOL     OW 5831   1.201   4.337   1.842 -0.0179  0.7765  0.0492
+ 1420SOL    HW1 5832   1.149   4.258   1.830  0.7749  0.2857 -0.1829
+ 1420SOL    HW2 5833   1.151   4.390   1.904  0.4994 -0.8430  1.8977
+ 1421SOL     OW 5834   1.550   2.193   2.315  0.2775 -0.3636  1.0613
+ 1421SOL    HW1 5835   1.620   2.132   2.337  2.5447  1.8642  0.3347
+ 1421SOL    HW2 5836   1.524   2.170   2.226 -0.6195 -1.8232  1.6873
+ 1422SOL     OW 5837   1.444   2.745   1.182 -0.7507 -0.1705  0.0383
+ 1422SOL    HW1 5838   1.364   2.693   1.194 -0.7729  0.2961  2.0371
+ 1422SOL    HW2 5839   1.463   2.781   1.269  0.0246  2.0757 -1.0108
+ 1423SOL     OW 5840   1.487   1.554   0.961  0.0458  0.2716  0.2816
+ 1423SOL    HW1 5841   1.412   1.559   1.020  0.1884  2.4269  0.3153
+ 1423SOL    HW2 5842   1.460   1.601   0.883  1.3892  1.1567  0.3388
+ 1424SOL     OW 5843   7.712   1.079   0.603  0.0749  0.4563 -0.7500
+ 1424SOL    HW1 5844   7.676   1.168   0.605 -2.2715 -0.5018  0.3936
+ 1424SOL    HW2 5845   7.709   1.055   0.510 -0.1296  1.2208 -0.9505
+ 1425SOL     OW 5846   7.818   4.840   3.286  0.0591  0.5548 -0.1479
+ 1425SOL    HW1 5847   7.731   4.875   3.268  0.5768  1.7222 -0.4979
+ 1425SOL    HW2 5848   7.874   4.918   3.289  1.3780 -0.3153 -1.5916
+ 1426SOL     OW 5849   1.314   4.270   7.650 -0.2198  0.1570 -0.5296
+ 1426SOL    HW1 5850   1.263   4.342   7.687  0.4496 -0.3342  1.3742
+ 1426SOL    HW2 5851   1.264   4.243   7.572 -1.2042  1.7404 -0.4716
+ 1427SOL     OW 5852   3.216   3.369   0.300  0.3225 -0.0070 -0.3407
+ 1427SOL    HW1 5853   3.252   3.407   0.380  0.8020 -3.4840  1.1800
+ 1427SOL    HW2 5854   3.293   3.357   0.243  0.3107  0.3629 -0.4369
+ 1428SOL     OW 5855   7.739   2.868   5.920  0.1810  0.7880 -0.4971
+ 1428SOL    HW1 5856   7.706   2.778   5.917 -1.5231  1.3463  0.7193
+ 1428SOL    HW2 5857   7.754   2.890   5.828  2.2140 -1.2759 -0.7059
+ 1429SOL     OW 5858   1.345   1.976   0.685 -0.3327 -0.3975 -0.8023
+ 1429SOL    HW1 5859   1.410   1.959   0.617 -1.4547 -1.0285 -1.7603
+ 1429SOL    HW2 5860   1.376   2.054   0.731  0.8958 -0.4895 -1.4727
+ 1430SOL     OW 5861   5.994   2.551   1.943 -0.0433  0.0606 -0.3890
+ 1430SOL    HW1 5862   5.983   2.467   1.988 -0.8259  0.0228 -0.6459
+ 1430SOL    HW2 5863   6.054   2.600   1.999 -1.5945  0.2993  1.0910
+ 1431SOL     OW 5864   2.293   0.873   1.469  0.1797 -0.8429  0.6435
+ 1431SOL    HW1 5865   2.290   0.947   1.530  0.7736 -0.4667  0.2242
+ 1431SOL    HW2 5866   2.372   0.825   1.493  0.0603 -1.0672  0.5924
+ 1432SOL     OW 5867   7.450   2.703   4.838 -0.0206  0.0714  0.3323
+ 1432SOL    HW1 5868   7.457   2.609   4.821 -1.5766  0.1881 -1.0583
+ 1432SOL    HW2 5869   7.388   2.711   4.910 -1.6515  0.1449 -1.0664
+ 1433SOL     OW 5870   7.350   3.908   4.410 -0.3580  0.3746  0.3326
+ 1433SOL    HW1 5871   7.338   4.001   4.426 -1.5267  0.1419  0.8222
+ 1433SOL    HW2 5872   7.264   3.869   4.426  0.2127 -0.8417  0.4993
+ 1434SOL     OW 5873   2.076   3.298   2.197  0.1324  0.0016 -0.4263
+ 1434SOL    HW1 5874   2.112   3.338   2.118 -0.2830  0.1272 -0.5541
+ 1434SOL    HW2 5875   2.152   3.285   2.255  0.2400  1.1567 -0.2994
+ 1435SOL     OW 5876   2.049   2.601   2.017  0.4005 -0.0434 -0.1935
+ 1435SOL    HW1 5877   1.982   2.621   1.951  1.0556 -0.1908 -0.9135
+ 1435SOL    HW2 5878   2.108   2.676   2.014  1.5716 -0.9773 -1.2445
+ 1436SOL     OW 5879   2.844   2.231   2.905 -0.5202  0.1908 -0.6428
+ 1436SOL    HW1 5880   2.843   2.251   2.811 -0.6933  0.1540 -0.6491
+ 1436SOL    HW2 5881   2.810   2.142   2.911 -1.1631  0.4475 -0.4854
+ 1437SOL     OW 5882   2.142   1.469   3.207  0.0761  0.1033 -0.2967
+ 1437SOL    HW1 5883   2.135   1.388   3.156 -0.2391 -0.1390  0.1364
+ 1437SOL    HW2 5884   2.236   1.490   3.205  0.2196 -0.5081 -0.0324
+ 1438SOL     OW 5885   1.060   1.620   1.936 -0.6510  0.1079  0.3869
+ 1438SOL    HW1 5886   0.991   1.670   1.892 -0.8169  0.1701  0.7164
+ 1438SOL    HW2 5887   1.053   1.532   1.899 -0.8455  0.1377  0.3498
+ 1439SOL     OW 5888   0.957   3.064   2.008  0.3531 -0.8650  0.0199
+ 1439SOL    HW1 5889   0.920   3.084   2.094 -0.1138  1.0943 -0.5994
+ 1439SOL    HW2 5890   1.051   3.058   2.023  0.0904 -2.6568  1.0327
+ 1440SOL     OW 5891   0.477   1.399   3.406 -0.0499  0.1886 -0.4800
+ 1440SOL    HW1 5892   0.481   1.412   3.312 -0.0282  1.7459 -0.2714
+ 1440SOL    HW2 5893   0.523   1.474   3.443  1.3879 -1.2585  0.7209
+ 1441SOL     OW 5894   0.721   3.052   2.700  0.0102  0.4017  0.1723
+ 1441SOL    HW1 5895   0.663   3.020   2.631 -0.0671  1.2287 -0.1589
+ 1441SOL    HW2 5896   0.781   3.112   2.655 -0.4118  1.3918  0.9092
+ 1442SOL     OW 5897   1.003   1.807   4.926  0.0460  0.5038  0.4082
+ 1442SOL    HW1 5898   1.097   1.817   4.942  0.1392 -0.2206  0.3438
+ 1442SOL    HW2 5899   0.998   1.748   4.851 -0.4774 -0.3594  1.1164
+ 1443SOL     OW 5900   1.347   2.316   1.109 -0.2243 -0.0275 -0.3965
+ 1443SOL    HW1 5901   1.400   2.346   1.035  0.4344  2.2216  0.9134
+ 1443SOL    HW2 5902   1.397   2.342   1.186 -0.9372 -2.2550  0.8704
+ 1444SOL     OW 5903   1.296   3.409   2.532 -0.1556 -0.5928 -0.4708
+ 1444SOL    HW1 5904   1.303   3.407   2.628  0.8151 -0.9874 -0.5417
+ 1444SOL    HW2 5905   1.387   3.399   2.502 -0.1729  1.6821 -1.4119
+ 1445SOL     OW 5906   2.201   3.531   2.862 -0.5569 -0.4098 -0.0928
+ 1445SOL    HW1 5907   2.118   3.530   2.910 -0.7617 -0.5075 -0.4505
+ 1445SOL    HW2 5908   2.199   3.613   2.812  0.6117  0.7761  1.7327
+ 1446SOL     OW 5909   6.618   3.213   3.146 -0.4793  0.3053  0.6179
+ 1446SOL    HW1 5910   6.523   3.205   3.146 -0.3730 -1.3401  1.0751
+ 1446SOL    HW2 5911   6.636   3.301   3.114 -2.1260  0.2591 -0.4532
+ 1447SOL     OW 5912   6.653   3.060   2.444 -0.6674  0.4314 -0.0595
+ 1447SOL    HW1 5913   6.720   3.096   2.502 -1.7060  1.3757  0.5752
+ 1447SOL    HW2 5914   6.658   2.966   2.458  1.7533  0.3007 -1.3787
+ 1448SOL     OW 5915   1.453   2.676   2.962  0.5704  0.0129 -0.3358
+ 1448SOL    HW1 5916   1.507   2.753   2.946  0.8439  0.1311  1.0555
+ 1448SOL    HW2 5917   1.513   2.613   3.003  0.1504 -0.6290 -0.6922
+ 1449SOL     OW 5918   7.746   2.055   2.339  0.3310 -0.2876 -0.6383
+ 1449SOL    HW1 5919   7.654   2.080   2.331  0.9049  2.1397 -0.2911
+ 1449SOL    HW2 5920   7.775   2.039   2.249 -0.2602 -0.3280 -0.8199
+ 1450SOL     OW 5921   2.950   2.825   3.805  0.2883  0.2828  0.4741
+ 1450SOL    HW1 5922   3.010   2.762   3.765  1.3088  1.3432  0.3037
+ 1450SOL    HW2 5923   3.007   2.898   3.832 -0.9289  1.3053  0.2937
+ 1451SOL     OW 5924   7.210   4.527   2.765  0.1341 -0.0391  0.1589
+ 1451SOL    HW1 5925   7.238   4.592   2.701  1.5687 -0.8074 -0.0248
+ 1451SOL    HW2 5926   7.128   4.561   2.800 -0.7164  0.3828 -2.1154
+ 1452SOL     OW 5927   0.431   2.368   1.879  0.3180  0.1240 -0.1197
+ 1452SOL    HW1 5928   0.343   2.355   1.842 -1.1233  0.7298  2.9391
+ 1452SOL    HW2 5929   0.465   2.279   1.891 -0.4605 -0.1534  0.0510
+ 1453SOL     OW 5930   7.046   4.197   3.008  0.2161  0.2459 -0.3871
+ 1453SOL    HW1 5931   7.053   4.286   2.972 -0.9867  0.3391 -0.3839
+ 1453SOL    HW2 5932   7.137   4.170   3.022  0.5811  1.5657 -0.1730
+ 1454SOL     OW 5933   2.924   2.833   1.866 -0.2213  0.0619  0.2417
+ 1454SOL    HW1 5934   2.983   2.805   1.796 -0.2083  0.6965 -0.0021
+ 1454SOL    HW2 5935   2.982   2.859   1.938 -0.2488 -2.0607  1.0829
+ 1455SOL     OW 5936   1.825   2.486   7.579 -0.1201 -0.2592 -0.7599
+ 1455SOL    HW1 5937   1.919   2.469   7.591 -0.4038 -1.4233 -0.0743
+ 1455SOL    HW2 5938   1.787   2.474   7.666 -0.9326  0.0369 -1.0673
+ 1456SOL     OW 5939   7.572   1.024   5.181 -0.3048  0.4130 -0.0669
+ 1456SOL    HW1 5940   7.518   1.033   5.102  0.5820  0.0100 -0.7236
+ 1456SOL    HW2 5941   7.563   1.108   5.225 -1.0447  0.5409 -0.4504
+ 1457SOL     OW 5942   6.705   3.725   3.688 -0.5013  0.0718 -0.8091
+ 1457SOL    HW1 5943   6.733   3.636   3.670 -1.0595 -0.8507  2.4482
+ 1457SOL    HW2 5944   6.626   3.737   3.635 -0.3977 -1.3741 -1.2949
+ 1458SOL     OW 5945   7.571   2.909   3.635  0.0382 -0.6822  0.0765
+ 1458SOL    HW1 5946   7.630   2.982   3.615 -0.2602 -0.2524  0.7413
+ 1458SOL    HW2 5947   7.590   2.888   3.727  1.7491 -2.9452 -0.7225
+ 1459SOL     OW 5948   1.424   1.995   2.039 -0.1804 -0.2824  0.3307
+ 1459SOL    HW1 5949   1.389   1.906   2.033  0.2030 -0.4357  0.3385
+ 1459SOL    HW2 5950   1.363   2.049   1.989 -0.0586 -0.6556 -0.2211
+ 1460SOL     OW 5951   0.548   3.478   3.207  0.0081 -0.3816  0.6874
+ 1460SOL    HW1 5952   0.550   3.421   3.130 -3.1633 -0.4052  0.5241
+ 1460SOL    HW2 5953   0.550   3.567   3.172  1.5289 -0.3960  0.7435
+ 1461SOL     OW 5954   2.797   3.666   1.427 -0.0443  0.0060 -0.1995
+ 1461SOL    HW1 5955   2.824   3.585   1.470  1.0756  0.1348 -0.6533
+ 1461SOL    HW2 5956   2.749   3.637   1.349  0.5486 -0.2128 -0.4793
+ 1462SOL     OW 5957   1.207   2.059   1.882  0.2303 -0.3819 -0.1140
+ 1462SOL    HW1 5958   1.171   2.015   1.805 -0.0132  0.5263 -0.5198
+ 1462SOL    HW2 5959   1.135   2.111   1.917  0.3694 -0.7027  0.6733
+ 1463SOL     OW 5960   6.589   5.220   4.272 -0.1184 -0.0339  0.7786
+ 1463SOL    HW1 5961   6.571   5.285   4.340  0.9282  0.5437  0.5126
+ 1463SOL    HW2 5962   6.609   5.272   4.194 -1.1108 -0.6898  0.0776
+ 1464SOL     OW 5963   2.763   2.658   4.140 -0.2808  0.3817  0.0724
+ 1464SOL    HW1 5964   2.849   2.629   4.109 -0.7666 -0.6428 -0.3576
+ 1464SOL    HW2 5965   2.747   2.604   4.218  0.5102  2.2686  1.5869
+ 1465SOL     OW 5966   1.750   3.909   2.957 -0.1186 -0.4612  0.4069
+ 1465SOL    HW1 5967   1.690   3.872   3.022 -0.6549 -1.1300 -0.4458
+ 1465SOL    HW2 5968   1.710   3.888   2.873  0.7712  0.0308 -0.1528
+ 1466SOL     OW 5969   0.255   2.758   1.158  0.1439  0.1997 -0.7308
+ 1466SOL    HW1 5970   0.192   2.823   1.127  0.1191  0.2998 -0.4651
+ 1466SOL    HW2 5971   0.203   2.695   1.207  0.1905  0.0627 -0.8594
+ 1467SOL     OW 5972   7.648   1.817   2.411 -0.1094 -0.1333 -0.5526
+ 1467SOL    HW1 5973   7.676   1.905   2.385  2.5446 -0.7551  0.0115
+ 1467SOL    HW2 5974   7.614   1.827   2.499 -1.6911  0.6496 -1.2400
+ 1468SOL     OW 5975   1.479   3.552   1.426  0.4870 -0.0441  0.0406
+ 1468SOL    HW1 5976   1.541   3.625   1.416 -0.4541  0.7863  0.1313
+ 1468SOL    HW2 5977   1.533   3.479   1.456  1.5618  0.4221 -0.7048
+ 1469SOL     OW 5978   1.055   4.597   3.085 -0.5682 -0.2765 -0.0333
+ 1469SOL    HW1 5979   1.054   4.502   3.089  0.8656 -0.3007  0.1898
+ 1469SOL    HW2 5980   1.113   4.623   3.157 -0.9861  0.7646 -0.0597
+ 1470SOL     OW 5981   2.598   1.772   2.870  0.4307 -0.0087  0.2356
+ 1470SOL    HW1 5982   2.637   1.685   2.869 -1.1111 -0.7586  2.0010
+ 1470SOL    HW2 5983   2.505   1.756   2.855  0.4251  1.5590 -1.7222
+ 1471SOL     OW 5984   7.878   2.840   3.113 -0.1512 -0.4668  0.2876
+ 1471SOL    HW1 5985   7.867   2.747   3.133 -0.0198 -0.3365  0.9938
+ 1471SOL    HW2 5986   7.849   2.885   3.193 -1.4365  0.1403 -0.5086
+ 1472SOL     OW 5987   6.705   0.747   2.637 -0.3313  0.2619 -0.0447
+ 1472SOL    HW1 5988   6.784   0.694   2.650 -0.5918  0.1853  1.3110
+ 1472SOL    HW2 5989   6.738   0.836   2.623 -0.0191  0.2835  0.8125
+ 1473SOL     OW 5990   7.540   1.075   2.660 -0.5494 -0.5921  0.0661
+ 1473SOL    HW1 5991   7.510   1.063   2.570 -1.6214 -1.8055  0.5595
+ 1473SOL    HW2 5992   7.630   1.105   2.652 -0.7693 -0.2902 -1.4114
+ 1474SOL     OW 5993   7.254   4.231   1.413  0.0649  0.0277 -0.0704
+ 1474SOL    HW1 5994   7.320   4.300   1.412  0.0145  0.0838  0.5912
+ 1474SOL    HW2 5995   7.298   4.156   1.451 -0.1104 -0.0814 -0.0838
+ 1475SOL     OW 5996   0.501   2.897   3.265  0.1992  0.2964  0.2108
+ 1475SOL    HW1 5997   0.482   2.955   3.192  0.7682  0.7112  0.3858
+ 1475SOL    HW2 5998   0.560   2.947   3.321 -0.7990  0.2487  1.3282
+ 1476SOL     OW 5999   1.147   1.878   3.227  0.3042 -0.2972  0.4282
+ 1476SOL    HW1 6000   1.212   1.910   3.289 -0.1723  0.7526  0.3977
+ 1476SOL    HW2 6001   1.197   1.857   3.148  0.3477  2.4527 -0.3045
+ 1477SOL     OW 6002   1.607   2.351   3.603  0.0637 -0.3235  0.1458
+ 1477SOL    HW1 6003   1.678   2.308   3.651  0.8328 -0.5126 -1.1210
+ 1477SOL    HW2 6004   1.527   2.320   3.645  0.7273 -0.4643  1.3049
+ 1478SOL     OW 6005   1.158   2.080   2.311 -0.0187 -0.5746  0.0093
+ 1478SOL    HW1 6006   1.109   2.132   2.375 -0.6661 -0.7945 -0.3035
+ 1478SOL    HW2 6007   1.133   2.117   2.226  3.1963  1.7764 -0.0081
+ 1479SOL     OW 6008   7.611   3.507   1.875  0.3336  0.1178 -0.3342
+ 1479SOL    HW1 6009   7.653   3.532   1.792  3.7026 -0.8830  0.9924
+ 1479SOL    HW2 6010   7.642   3.418   1.891 -0.4039  0.2595  1.9513
+ 1480SOL     OW 6011   1.452   4.115   2.889  0.3636 -0.2209 -0.0762
+ 1480SOL    HW1 6012   1.467   4.025   2.861  1.0494 -0.0533 -0.2740
+ 1480SOL    HW2 6013   1.394   4.151   2.822  0.7759 -0.2713 -0.4710
+ 1481SOL     OW 6014   7.090   3.749   3.773  0.0654 -0.3930 -0.1944
+ 1481SOL    HW1 6015   7.140   3.823   3.807 -0.8435 -0.6987  1.8947
+ 1481SOL    HW2 6016   7.023   3.788   3.718 -0.9086  0.4188  1.5280
+ 1482SOL     OW 6017   2.757   3.461   2.673  0.6649 -0.2251 -0.2076
+ 1482SOL    HW1 6018   2.703   3.388   2.642  0.2406  0.3082 -0.7366
+ 1482SOL    HW2 6019   2.840   3.420   2.699  1.3555 -0.6237 -2.8222
+ 1483SOL     OW 6020   1.875   3.378   4.047 -0.1693 -0.5650 -0.2226
+ 1483SOL    HW1 6021   1.867   3.436   4.123  0.6346 -0.0728 -0.5087
+ 1483SOL    HW2 6022   1.785   3.364   4.018 -0.2962  2.2500 -1.4283
+ 1484SOL     OW 6023   0.377   4.136   2.996 -0.3318  0.1194  0.1200
+ 1484SOL    HW1 6024   0.330   4.084   3.062 -0.4312  0.3846  0.2582
+ 1484SOL    HW2 6025   0.469   4.113   3.009 -0.4012 -0.2195  0.0090
+ 1485SOL     OW 6026   0.814   1.627   2.637  0.2765 -0.2124 -0.5283
+ 1485SOL    HW1 6027   0.727   1.638   2.676  0.7780 -0.4632  0.7031
+ 1485SOL    HW2 6028   0.828   1.706   2.585  0.2403  0.8954  1.1144
+ 1486SOL     OW 6029   7.265   3.461   2.590 -0.3417  0.2094  0.2958
+ 1486SOL    HW1 6030   7.276   3.367   2.606 -1.1049 -0.1043 -0.9894
+ 1486SOL    HW2 6031   7.353   3.493   2.572 -0.0203 -0.1718  1.1443
+ 1487SOL     OW 6032   1.322   2.409   3.186 -0.2652 -0.6427 -0.2151
+ 1487SOL    HW1 6033   1.362   2.493   3.211  2.8819 -0.8669 -3.8986
+ 1487SOL    HW2 6034   1.240   2.434   3.144 -0.5727  0.4076  0.9724
+ 1488SOL     OW 6035   0.646   3.003   3.727 -0.2627  0.2609  0.0045
+ 1488SOL    HW1 6036   0.574   3.014   3.789 -0.1008  0.7510  0.1032
+ 1488SOL    HW2 6037   0.690   2.923   3.756 -1.1731 -0.4211 -0.4665
+ 1489SOL     OW 6038   0.358   3.256   2.826 -0.0658 -0.3622  0.0724
+ 1489SOL    HW1 6039   0.289   3.311   2.864  0.1569  1.2127 -1.6874
+ 1489SOL    HW2 6040   0.438   3.284   2.871 -0.2855 -0.9267  0.8368
+ 1490SOL     OW 6041   0.837   1.205   3.022 -0.2805 -0.3412  0.3033
+ 1490SOL    HW1 6042   0.884   1.256   3.087 -1.9656  0.6075  0.8089
+ 1490SOL    HW2 6043   0.866   1.240   2.938  0.3090 -0.1262  0.5963
+ 1491SOL     OW 6044   2.698   4.846   1.774 -0.5427  0.1017  0.0562
+ 1491SOL    HW1 6045   2.785   4.819   1.743 -0.4441  0.4181  0.0589
+ 1491SOL    HW2 6046   2.682   4.930   1.731 -0.5953  0.3267  0.5167
+ 1492SOL     OW 6047   7.477   2.543   3.242  0.3294  0.3412 -0.5473
+ 1492SOL    HW1 6048   7.461   2.632   3.208  2.4963  0.0114 -2.5589
+ 1492SOL    HW2 6049   7.444   2.485   3.173 -0.7680 -0.4395  0.6142
+ 1493SOL     OW 6050   2.584   4.345   1.986 -0.4503 -0.1447 -0.0019
+ 1493SOL    HW1 6051   2.667   4.317   1.947 -0.6290  1.0011 -1.2283
+ 1493SOL    HW2 6052   2.598   4.436   2.010 -1.2265 -0.0596  0.1532
+ 1494SOL     OW 6053   0.093   1.974   2.312  0.3317 -0.0266 -0.5029
+ 1494SOL    HW1 6054   0.029   1.905   2.324 -0.0213  0.2529 -0.7713
+ 1494SOL    HW2 6055   0.152   1.966   2.387  0.7002 -1.0547 -0.8930
+ 1495SOL     OW 6056   1.669   0.820   3.391 -0.0276  0.7311  0.0884
+ 1495SOL    HW1 6057   1.660   0.865   3.475 -1.6009 -2.3943  1.6791
+ 1495SOL    HW2 6058   1.743   0.760   3.404 -0.2387  0.2864 -0.7771
+ 1496SOL     OW 6059   0.887   3.131   2.274 -0.0183 -0.4708 -0.0230
+ 1496SOL    HW1 6060   0.969   3.172   2.302  1.2614 -2.7711 -0.2757
+ 1496SOL    HW2 6061   0.820   3.172   2.329  1.0735  2.4120 -0.7100
+ 1497SOL     OW 6062   2.135   2.224   3.882 -0.0950  0.2977 -0.7065
+ 1497SOL    HW1 6063   2.178   2.254   3.962 -1.6980  0.3960  0.1492
+ 1497SOL    HW2 6064   2.052   2.272   3.880 -1.2760 -1.6754 -0.9884
+ 1498SOL     OW 6065   2.309   3.221   3.686  0.1171 -0.7196  0.1372
+ 1498SOL    HW1 6066   2.315   3.180   3.773  1.0049 -0.1680  0.3496
+ 1498SOL    HW2 6067   2.394   3.204   3.646  0.5617  1.0271  0.2898
+ 1499SOL     OW 6068   0.579   2.678   3.153  0.3562 -0.5168  0.5252
+ 1499SOL    HW1 6069   0.565   2.756   3.206  0.2506 -0.6520  0.6948
+ 1499SOL    HW2 6070   0.577   2.710   3.063 -0.5371 -0.4646  0.5670
+ 1500SOL     OW 6071   0.382   2.293   2.460 -0.3118 -0.1608  0.1068
+ 1500SOL    HW1 6072   0.304   2.283   2.406 -0.2707  0.1839 -0.0207
+ 1500SOL    HW2 6073   0.348   2.325   2.544 -0.3787 -0.7293  0.2960
+ 1501SOL     OW 6074   1.009   3.029   3.199 -0.4812  0.4109  0.1022
+ 1501SOL    HW1 6075   1.025   2.936   3.179 -0.4252 -0.0764  2.2940
+ 1501SOL    HW2 6076   1.046   3.041   3.287 -1.6746  2.1948  0.3776
+ 1502SOL     OW 6077   0.197   2.391   1.694  0.6032 -0.2512 -0.1623
+ 1502SOL    HW1 6078   0.166   2.303   1.673 -0.2443  0.1114 -0.4373
+ 1502SOL    HW2 6079   0.118   2.443   1.704  0.9579 -0.1908  3.1299
+ 1503SOL     OW 6080   0.331   4.013   2.233 -0.1324  0.2842 -0.1896
+ 1503SOL    HW1 6081   0.248   3.995   2.189 -0.5262  0.2464  0.5543
+ 1503SOL    HW2 6082   0.312   4.086   2.292 -0.0649 -0.8062  1.2032
+ 1504SOL     OW 6083   7.311   1.891   2.695  0.2621  0.4798 -0.1404
+ 1504SOL    HW1 6084   7.405   1.872   2.692  0.7391  2.6209  0.5461
+ 1504SOL    HW2 6085   7.270   1.805   2.695  2.2609 -0.5245  0.6962
+ 1505SOL     OW 6086   0.318   2.003   2.523 -0.1727 -0.0934 -0.1030
+ 1505SOL    HW1 6087   0.375   1.956   2.462 -0.0072 -0.4886  0.3510
+ 1505SOL    HW2 6088   0.359   2.089   2.531 -0.1878 -0.0425 -0.5404
+ 1506SOL     OW 6089   0.943   1.828   3.939  0.0451 -0.0254 -0.6987
+ 1506SOL    HW1 6090   0.997   1.753   3.913  0.3428 -0.4176  0.9488
+ 1506SOL    HW2 6091   0.887   1.793   4.009  0.7108  1.4765  0.5967
+ 1507SOL     OW 6092   0.670   4.115   2.707 -0.1701  0.0531  0.3364
+ 1507SOL    HW1 6093   0.661   4.101   2.613 -0.1338 -1.3347  0.5229
+ 1507SOL    HW2 6094   0.751   4.165   2.717 -0.1637  0.1806 -0.3648
+ 1508SOL     OW 6095   2.261   3.350   3.441 -0.2597 -0.4479 -0.1863
+ 1508SOL    HW1 6096   2.305   3.278   3.397 -0.3142 -1.2259  0.9855
+ 1508SOL    HW2 6097   2.293   3.429   3.398  1.2565 -1.0754 -0.2324
+ 1509SOL     OW 6098   1.869   4.083   3.786  0.7111  0.2539  0.0466
+ 1509SOL    HW1 6099   1.898   4.092   3.695  0.8179  0.0702  0.0627
+ 1509SOL    HW2 6100   1.775   4.066   3.780  0.4764  1.5086  0.0179
+ 1510SOL     OW 6101   1.479   1.736   3.304 -0.6364 -0.0185  0.5472
+ 1510SOL    HW1 6102   1.466   1.824   3.338 -0.3202 -0.0927  0.8627
+ 1510SOL    HW2 6103   1.426   1.733   3.225 -0.4277  0.5491  0.3804
+ 1511SOL     OW 6104   7.833   2.038   2.085  0.0436 -0.3571 -0.0055
+ 1511SOL    HW1 6105   7.749   2.080   2.064 -0.4740 -2.0369 -1.4195
+ 1511SOL    HW2 6106   7.896   2.081   2.027 -0.3699 -1.0771 -1.0027
+ 1512SOL     OW 6107   2.968   2.460   4.067  0.5103 -0.4470  0.3439
+ 1512SOL    HW1 6108   3.047   2.490   4.023  0.7734  1.0553  1.8005
+ 1512SOL    HW2 6109   2.999   2.408   4.141  0.1355  0.0666  0.8643
+ 1513SOL     OW 6110   0.452   2.399   2.970  0.3139 -0.3665  0.4027
+ 1513SOL    HW1 6111   0.375   2.449   2.995 -0.9804 -1.4206 -1.3565
+ 1513SOL    HW2 6112   0.423   2.308   2.971  2.4677 -1.0701  2.9613
+ 1514SOL     OW 6113   1.899   1.879   2.607 -1.2048 -0.1011  0.1018
+ 1514SOL    HW1 6114   1.952   1.953   2.636 -1.7865  0.3458  0.0262
+ 1514SOL    HW2 6115   1.882   1.830   2.688 -1.6030  0.3567  0.3002
+ 1515SOL     OW 6116   1.040   2.544   2.190  0.4671 -0.0375  0.5661
+ 1515SOL    HW1 6117   1.091   2.570   2.112  2.4131  0.5510  1.9856
+ 1515SOL    HW2 6118   0.950   2.566   2.168  0.5493 -2.4823 -2.6266
+ 1516SOL     OW 6119   2.712   2.010   2.865 -0.2162 -0.1445  0.1625
+ 1516SOL    HW1 6120   2.624   2.042   2.847 -0.3210  0.6099  1.8721
+ 1516SOL    HW2 6121   2.705   1.915   2.862 -0.9281 -0.0711 -0.4164
+ 1517SOL     OW 6122   3.839   3.570   1.144  0.1304 -0.4926  0.3841
+ 1517SOL    HW1 6123   3.932   3.561   1.166  0.2269  1.4143  0.7876
+ 1517SOL    HW2 6124   3.793   3.555   1.226  0.1945  0.6321  0.6325
+ 1518SOL     OW 6125   1.328   2.722   0.797 -0.1651 -0.7909 -0.7057
+ 1518SOL    HW1 6126   1.289   2.663   0.861 -0.1749  1.1971  1.1954
+ 1518SOL    HW2 6127   1.296   2.691   0.713  1.0969 -4.4314  0.0589
+ 1519SOL     OW 6128   1.333   3.727   0.965 -0.4675 -0.5999  0.0689
+ 1519SOL    HW1 6129   1.419   3.722   0.923 -0.6008  0.7254 -0.3897
+ 1519SOL    HW2 6130   1.271   3.739   0.893 -0.7620  1.0117  0.5614
+ 1520SOL     OW 6131   0.838   1.870   2.452  0.7792 -0.0664 -0.2124
+ 1520SOL    HW1 6132   0.834   1.802   2.384 -1.1702  1.3993 -1.6058
+ 1520SOL    HW2 6133   0.914   1.923   2.427  0.0196  0.5200 -1.3227
+ 1521SOL     OW 6134   0.047   0.745   3.606 -0.2679  0.1791 -0.1840
+ 1521SOL    HW1 6135   0.057   0.828   3.559 -2.6892  1.5137  1.5552
+ 1521SOL    HW2 6136  -0.047   0.726   3.603  0.1389 -2.0540  0.2068
+ 1522SOL     OW 6137   1.865   1.306   2.889  0.1599  0.0661 -0.1656
+ 1522SOL    HW1 6138   1.945   1.304   2.941  0.0856  0.5080 -0.0268
+ 1522SOL    HW2 6139   1.817   1.228   2.915 -0.0905  0.5156  0.7791
+ 1523SOL     OW 6140   0.537   1.946   2.369 -0.2937  0.2720  0.4511
+ 1523SOL    HW1 6141   0.569   1.908   2.288 -1.2009  2.0192 -0.7607
+ 1523SOL    HW2 6142   0.614   1.990   2.407 -0.6496  2.4344 -1.2553
+ 1524SOL     OW 6143   2.656   1.786   3.175  0.5533  0.5162 -0.5273
+ 1524SOL    HW1 6144   2.575   1.738   3.191  1.6295 -1.0915  0.2579
+ 1524SOL    HW2 6145   2.646   1.822   3.087 -1.3266  1.0133 -0.1305
+ 1525SOL     OW 6146   2.158   3.204   3.112 -0.0307 -0.6503 -0.8432
+ 1525SOL    HW1 6147   2.216   3.162   3.176  0.8519  0.7224 -0.7175
+ 1525SOL    HW2 6148   2.070   3.177   3.139  0.4166 -1.1874  0.1278
+ 1526SOL     OW 6149   7.563   3.129   2.082  0.7049 -0.4717 -0.8351
+ 1526SOL    HW1 6150   7.588   3.194   2.148 -1.2194 -0.6001  0.0532
+ 1526SOL    HW2 6151   7.608   3.048   2.110  1.3444 -0.0796 -0.7167
+ 1527SOL     OW 6152   1.347   1.461   4.714  0.4174 -0.1523 -0.4362
+ 1527SOL    HW1 6153   1.323   1.435   4.625  0.5264  1.5439 -0.9752
+ 1527SOL    HW2 6154   1.264   1.482   4.756  0.1823 -2.6601  0.4581
+ 1528SOL     OW 6155   7.908   3.515   4.136 -0.3192 -0.3960  0.0810
+ 1528SOL    HW1 6156   7.845   3.465   4.083 -3.8644  2.2399  1.5446
+ 1528SOL    HW2 6157   7.940   3.583   4.076  0.5996 -1.3247 -0.4812
+ 1529SOL     OW 6158   0.472   3.821   3.936  0.2956  0.4656  0.3527
+ 1529SOL    HW1 6159   0.476   3.736   3.893 -0.9503  0.1742  0.8060
+ 1529SOL    HW2 6160   0.463   3.884   3.865  0.0039  0.1199  0.0827
+ 1530SOL     OW 6161   0.247   2.632   2.106 -0.5917  0.1426  0.5926
+ 1530SOL    HW1 6162   0.244   2.548   2.060  0.9401  1.5220 -2.2192
+ 1530SOL    HW2 6163   0.264   2.609   2.197  1.3317 -2.5597 -0.3616
+ 1531SOL     OW 6164   1.846   1.359   3.821  0.2211 -0.0117  0.5388
+ 1531SOL    HW1 6165   1.831   1.415   3.898 -2.2425 -0.3600  0.3801
+ 1531SOL    HW2 6166   1.834   1.417   3.746 -0.6737 -0.3695  0.3956
+ 1532SOL     OW 6167   6.849   3.994   3.066  0.4032  0.2695  0.1751
+ 1532SOL    HW1 6168   6.899   3.924   3.025  0.4111 -0.0488  0.7278
+ 1532SOL    HW2 6169   6.903   4.072   3.054  1.3914 -0.2015  1.3980
+ 1533SOL     OW 6170   0.434   2.495   3.258  0.7282 -0.2341  0.2812
+ 1533SOL    HW1 6171   0.427   2.534   3.345  0.3006 -1.3852  0.7717
+ 1533SOL    HW2 6172   0.506   2.542   3.216  1.6709 -0.4317  1.6502
+ 1534SOL     OW 6173   7.700   3.841   2.719  0.2672 -0.5251  0.5124
+ 1534SOL    HW1 6174   7.730   3.931   2.732  0.3219 -0.5304  0.4218
+ 1534SOL    HW2 6175   7.686   3.807   2.807  0.0769 -0.3706  0.5422
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+ 1535SOL    HW1 6177   2.503   2.892   2.536  0.9215 -0.0895  0.4654
+ 1535SOL    HW2 6178   2.621   2.970   2.482 -0.4127  1.0167 -0.8840
+ 1536SOL     OW 6179   0.630   2.873   2.520 -0.3697  0.3762 -0.1657
+ 1536SOL    HW1 6180   0.648   2.780   2.530 -1.2401 -0.0230 -2.1826
+ 1536SOL    HW2 6181   0.548   2.887   2.566  0.3565  0.3962  1.1501
+ 1537SOL     OW 6182   1.943   1.302   2.395  0.9504  0.5108 -0.4181
+ 1537SOL    HW1 6183   1.992   1.271   2.471 -0.5819 -0.5152  0.1774
+ 1537SOL    HW2 6184   1.975   1.247   2.323  1.8471  0.9579 -0.3682
+ 1538SOL     OW 6185   0.495   2.653   1.792 -0.2935 -0.2479 -0.0847
+ 1538SOL    HW1 6186   0.450   2.568   1.793  0.3217 -0.5877 -0.3436
+ 1538SOL    HW2 6187   0.484   2.687   1.881 -2.0454  0.2223 -0.4619
+ 1539SOL     OW 6188   1.152   1.462   2.224  0.8064 -0.5011 -0.1801
+ 1539SOL    HW1 6189   1.115   1.545   2.194 -1.2679 -1.5719 -0.7481
+ 1539SOL    HW2 6190   1.229   1.449   2.169  1.1404  1.0252 -0.0948
+ 1540SOL     OW 6191   3.149   2.395   1.196 -0.8961 -0.7262  0.1629
+ 1540SOL    HW1 6192   3.236   2.370   1.165  0.0465  1.3734  0.9699
+ 1540SOL    HW2 6193   3.092   2.385   1.120  0.2906 -0.9868 -0.7115
+ 1541SOL     OW 6194   1.524   2.599   3.731 -0.0225 -0.5242 -0.3337
+ 1541SOL    HW1 6195   1.553   2.527   3.675  0.0539 -0.6363 -0.1543
+ 1541SOL    HW2 6196   1.451   2.639   3.685  0.5577 -0.1062 -0.8979
+ 1542SOL     OW 6197   7.385   3.339   2.903 -0.5590 -0.0372 -0.0348
+ 1542SOL    HW1 6198   7.362   3.290   2.824 -0.4545 -0.8729  0.4483
+ 1542SOL    HW2 6199   7.463   3.389   2.879  1.1221 -2.3720  0.3303
+ 1543SOL     OW 6200   1.086   4.173   3.448 -0.0806 -0.4947 -0.5905
+ 1543SOL    HW1 6201   1.152   4.141   3.510 -1.1272 -2.6947 -0.5683
+ 1543SOL    HW2 6202   1.045   4.247   3.492  0.6089 -0.7360  0.4714
+ 1544SOL     OW 6203   0.762   1.527   1.610  0.1483 -0.4688  0.1045
+ 1544SOL    HW1 6204   0.775   1.487   1.525  1.3640 -2.1761  1.0697
+ 1544SOL    HW2 6205   0.668   1.518   1.627 -0.2967  0.9199 -1.5402
+ 1545SOL     OW 6206   0.368   2.743   1.423  0.0210 -0.1669 -0.1191
+ 1545SOL    HW1 6207   0.386   2.776   1.334 -0.6759 -0.4558 -0.3729
+ 1545SOL    HW2 6208   0.279   2.772   1.441  0.3584  0.3540  0.7059
+ 1546SOL     OW 6209   7.057   0.965   2.774 -0.5138 -0.6713 -0.4015
+ 1546SOL    HW1 6210   7.121   0.915   2.723  1.8828  1.3739  0.4691
+ 1546SOL    HW2 6211   7.002   1.007   2.709 -0.5666 -1.9189 -1.1850
+ 1547SOL     OW 6212   7.848   2.207   1.280  0.3441 -0.1274  0.1432
+ 1547SOL    HW1 6213   7.885   2.214   1.367  0.1296  0.2337  0.2054
+ 1547SOL    HW2 6214   7.864   2.292   1.239  1.0182 -0.5096 -0.3974
+ 1548SOL     OW 6215   1.119   1.561   4.067  0.3229  0.4488  0.9363
+ 1548SOL    HW1 6216   1.186   1.624   4.093 -1.6508  2.3813  1.4596
+ 1548SOL    HW2 6217   1.126   1.556   3.972  1.8970 -0.1668  1.0784
+ 1549SOL     OW 6218   3.273   1.223   5.534 -0.4175  0.2583  0.5382
+ 1549SOL    HW1 6219   3.249   1.253   5.622 -0.9642  1.5200 -0.0347
+ 1549SOL    HW2 6220   3.269   1.302   5.480  1.9208 -0.0913 -0.2196
+ 1550SOL     OW 6221   6.832   3.697   1.958 -0.3295 -0.1535  0.0883
+ 1550SOL    HW1 6222   6.762   3.632   1.953  0.1154 -0.7706  1.6022
+ 1550SOL    HW2 6223   6.881   3.673   2.036  2.0145 -0.1611 -1.3440
+ 1551SOL     OW 6224   1.235   1.622   2.576  0.0976  0.0374 -0.5234
+ 1551SOL    HW1 6225   1.145   1.654   2.579  0.2677  0.4353  1.4639
+ 1551SOL    HW2 6226   1.288   1.698   2.604  0.6799 -1.3179  2.2428
+ 1552SOL     OW 6227   2.573   2.038   4.319 -0.2333  0.3034  0.0389
+ 1552SOL    HW1 6228   2.581   1.963   4.260 -0.7378  0.6412 -0.4637
+ 1552SOL    HW2 6229   2.498   2.087   4.286 -0.3565  0.6413  0.8047
+ 1553SOL     OW 6230   0.311   4.220   2.733  0.2074 -0.1693 -0.4643
+ 1553SOL    HW1 6231   0.314   4.182   2.820 -2.0754 -0.8944 -0.6657
+ 1553SOL    HW2 6232   0.370   4.296   2.737 -0.5687  0.3277  1.9547
+ 1554SOL     OW 6233   1.566   3.886   2.738  0.3981 -0.0193 -0.4588
+ 1554SOL    HW1 6234   1.491   3.836   2.707 -0.4127  1.0415 -0.2392
+ 1554SOL    HW2 6235   1.639   3.855   2.685 -0.3581 -0.4411 -1.2704
+ 1555SOL     OW 6236   0.818   3.836   4.377  0.1624 -0.3919 -0.7583
+ 1555SOL    HW1 6237   0.849   3.745   4.378 -0.6843 -0.6887 -1.4821
+ 1555SOL    HW2 6238   0.801   3.854   4.285 -0.3259  0.2810 -0.5320
+ 1556SOL     OW 6239   2.527   0.022   3.699  0.2469  0.1087  0.1131
+ 1556SOL    HW1 6240   2.472   0.082   3.750 -1.9913 -0.0970 -1.9986
+ 1556SOL    HW2 6241   2.574   0.079   3.638  0.0862 -0.0473 -0.1521
+ 1557SOL     OW 6242   0.514   1.255   2.025  0.1612 -0.5277 -0.4710
+ 1557SOL    HW1 6243   0.481   1.343   2.006 -0.4024 -0.6503 -0.0741
+ 1557SOL    HW2 6244   0.474   1.199   1.958  1.7547 -0.2408 -1.6899
+ 1558SOL     OW 6245   1.756   3.359   3.089  0.1584 -0.6213 -0.3278
+ 1558SOL    HW1 6246   1.815   3.376   3.016  0.2018 -0.3003 -0.2196
+ 1558SOL    HW2 6247   1.808   3.378   3.167 -0.2210  0.0808 -0.2450
+ 1559SOL     OW 6248   7.355   2.261   5.225  0.0855  0.0566  0.4159
+ 1559SOL    HW1 6249   7.274   2.298   5.261  0.6456  1.1840  0.5308
+ 1559SOL    HW2 6250   7.414   2.336   5.217  2.0973 -1.1731  2.9512
+ 1560SOL     OW 6251   0.165   3.161   3.931 -0.2200  0.0145  0.6706
+ 1560SOL    HW1 6252   0.106   3.153   4.005 -1.3408 -1.0152 -0.3163
+ 1560SOL    HW2 6253   0.165   3.255   3.910 -1.4193  0.0374  0.7428
+ 1561SOL     OW 6254   1.403   3.501   4.541 -0.0324  0.1849 -0.2462
+ 1561SOL    HW1 6255   1.317   3.536   4.565 -0.6778 -0.6134 -1.3454
+ 1561SOL    HW2 6256   1.396   3.407   4.558  0.5669  0.0962 -0.4800
+ 1562SOL     OW 6257   6.797   2.458   7.364 -0.1805  0.1703  0.3470
+ 1562SOL    HW1 6258   6.811   2.493   7.452 -2.1343 -0.4697  0.9349
+ 1562SOL    HW2 6259   6.864   2.501   7.310 -2.3619  4.7273  1.0256
+ 1563SOL     OW 6260   1.005   4.313   4.070  0.3548  0.1946 -0.2164
+ 1563SOL    HW1 6261   0.932   4.253   4.055 -2.1349  3.1310 -0.3076
+ 1563SOL    HW2 6262   1.047   4.280   4.149 -1.9517 -0.7157  0.6620
+ 1564SOL     OW 6263   7.904   4.206   2.283 -0.0443  0.0838  0.4965
+ 1564SOL    HW1 6264   7.823   4.177   2.242 -0.0259  0.6273  0.0674
+ 1564SOL    HW2 6265   7.879   4.227   2.373 -0.3843  0.2451  0.3664
+ 1565SOL     OW 6266   1.217   2.208   3.939  0.0656 -0.1362 -0.1418
+ 1565SOL    HW1 6267   1.275   2.133   3.926  0.6862  0.6083 -1.8063
+ 1565SOL    HW2 6268   1.143   2.190   3.880 -0.2793  0.0473  0.2401
+ 1566SOL     OW 6269   2.129   3.128   2.854  0.0337  0.3378  0.4292
+ 1566SOL    HW1 6270   2.150   3.178   2.933 -0.2769  0.8326  0.2039
+ 1566SOL    HW2 6271   2.139   3.037   2.880  0.3424  0.5097  0.9246
+ 1567SOL     OW 6272   5.849   3.899   3.431 -0.3448 -1.0947 -0.0409
+ 1567SOL    HW1 6273   5.903   3.899   3.351 -0.0302 -1.6455  0.1717
+ 1567SOL    HW2 6274   5.762   3.925   3.401 -0.3819 -1.9303 -0.6703
+ 1568SOL     OW 6275   1.459   2.986   4.653 -0.5588 -0.8396  0.7616
+ 1568SOL    HW1 6276   1.479   2.896   4.627 -1.4075 -1.1097  1.0112
+ 1568SOL    HW2 6277   1.389   2.976   4.718 -1.0068  0.0383  0.4071
+ 1569SOL     OW 6278   7.325   2.105   2.537 -0.1819  0.6653  0.3495
+ 1569SOL    HW1 6279   7.239   2.137   2.510  0.1620  0.6363 -0.7738
+ 1569SOL    HW2 6280   7.306   2.027   2.590 -0.8097  0.2451 -0.4909
+ 1570SOL     OW 6281   2.195   1.920   1.738 -0.2327 -0.0953  0.1514
+ 1570SOL    HW1 6282   2.191   1.917   1.834  0.4485  0.1436  0.1908
+ 1570SOL    HW2 6283   2.283   1.952   1.719 -0.3470 -0.1998 -0.5584
+ 1571SOL     OW 6284   7.430   4.865   3.971  0.2638 -0.1380 -0.0177
+ 1571SOL    HW1 6285   7.423   4.946   3.922 -0.2650 -1.1095 -1.5870
+ 1571SOL    HW2 6286   7.467   4.891   4.055 -0.5741  1.8139 -0.2260
+ 1572SOL     OW 6287   0.630   3.097   2.019  0.1182 -0.1817  0.2086
+ 1572SOL    HW1 6288   0.706   3.155   2.023  0.6516 -0.8168 -0.5896
+ 1572SOL    HW2 6289   0.554   3.155   2.020  0.5984  0.4427  1.4608
+ 1573SOL     OW 6290   7.736   4.069   4.412  0.3727  0.1368  0.7440
+ 1573SOL    HW1 6291   7.681   4.060   4.490  0.6969 -0.8145  0.8765
+ 1573SOL    HW2 6292   7.823   4.043   4.443  0.3642 -0.9118 -0.1068
+ 1574SOL     OW 6293   7.686   3.223   1.840  0.0093  0.1301 -0.2695
+ 1574SOL    HW1 6294   7.659   3.191   1.927 -0.1571  0.4769 -0.1923
+ 1574SOL    HW2 6295   7.648   3.160   1.779  0.0471 -0.0633 -0.0931
+ 1575SOL     OW 6296   7.355   4.743   2.646 -0.1690  0.8714  0.0866
+ 1575SOL    HW1 6297   7.366   4.752   2.551  1.6436 -0.6310  0.1167
+ 1575SOL    HW2 6298   7.408   4.813   2.684 -0.6933  1.3178 -0.0036
+ 1576SOL     OW 6299   1.985   3.156   3.640 -0.9452 -0.2093 -0.1245
+ 1576SOL    HW1 6300   1.943   3.164   3.725 -1.7843 -0.8571 -0.4791
+ 1576SOL    HW2 6301   1.914   3.135   3.579 -0.6704  2.1123 -1.3291
+ 1577SOL     OW 6302   1.629   7.862   1.694 -0.0552 -0.0504  0.2226
+ 1577SOL    HW1 6303   1.688   7.932   1.665 -1.8811  1.1442 -0.7542
+ 1577SOL    HW2 6304   1.612   7.881   1.786 -0.5911  0.8631 -0.0519
+ 1578SOL     OW 6305   2.589   3.819   4.495 -0.2237 -0.0872 -0.5061
+ 1578SOL    HW1 6306   2.568   3.912   4.499  1.8359  0.4537 -1.5995
+ 1578SOL    HW2 6307   2.534   3.785   4.424 -1.3993  0.1621  0.2735
+ 1579SOL     OW 6308   1.336   2.495   2.576 -0.3797 -0.1288  0.4850
+ 1579SOL    HW1 6309   1.257   2.533   2.538 -0.1619 -0.8250 -0.6762
+ 1579SOL    HW2 6310   1.372   2.440   2.507 -1.0789 -3.0543  2.3496
+ 1580SOL     OW 6311   7.960   4.013   3.014  0.0955 -0.1675 -0.0269
+ 1580SOL    HW1 6312   7.982   3.985   2.925 -0.2933 -0.3368 -0.0718
+ 1580SOL    HW2 6313   7.882   4.067   3.004 -0.9346 -1.5391  0.3822
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+ 1581SOL    HW1 6315   1.750   3.058   2.178 -2.0731  0.6083 -0.8751
+ 1581SOL    HW2 6316   1.756   3.020   2.324 -0.4824 -1.3067 -1.4193
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+ 1582SOL    HW1 6318   0.549   1.431   1.312  0.0301 -0.5416  0.0222
+ 1582SOL    HW2 6319   0.503   1.507   1.434  1.6670  1.6399 -0.6825
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+ 1583SOL    HW1 6321   2.978   2.182   3.957 -2.8215 -2.0365  0.5830
+ 1583SOL    HW2 6322   2.979   2.118   3.819  1.8263  0.8401 -0.8454
+ 1584SOL     OW 6323   0.547   4.724   4.334  0.1828  0.2359  0.5521
+ 1584SOL    HW1 6324   0.565   4.817   4.321 -0.9488  0.3770 -0.0152
+ 1584SOL    HW2 6325   0.575   4.682   4.253  1.9806 -0.1142  1.3223
+ 1585SOL     OW 6326   2.930   3.016   1.534 -0.5323  0.3054  0.5064
+ 1585SOL    HW1 6327   3.020   3.041   1.512  0.1713 -1.7591  0.9473
+ 1585SOL    HW2 6328   2.927   2.921   1.518 -2.3039  0.1598  1.5869
+ 1586SOL     OW 6329   2.483   2.770   1.992  0.4355  0.4425  0.3337
+ 1586SOL    HW1 6330   2.542   2.818   1.934 -0.0718  0.2594 -0.3483
+ 1586SOL    HW2 6331   2.523   2.776   2.079  2.0699 -0.6806 -0.3139
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+ 1587SOL    HW1 6333   0.550   1.622   2.465  0.7693 -0.2376  1.5195
+ 1587SOL    HW2 6334   0.428   1.538   2.494  0.7193 -0.6563  0.1315
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+ 1588SOL    HW1 6336   1.285   1.951   2.357  0.0684  1.3244 -0.1592
+ 1588SOL    HW2 6337   1.429   1.914   2.327  0.3929  2.2458  0.2334
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+ 1589SOL    HW1 6339   1.436   1.561   1.394 -0.8031  0.5526  1.6986
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+ 1590SOL    HW1 6342   6.833   3.796   2.259 -0.6633 -1.2702 -2.6653
+ 1590SOL    HW2 6343   6.909   3.689   2.334  0.4887  1.4357  0.1617
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+ 1592SOL    HW1 6348   1.663   1.274   3.434 -2.9686 -0.1462  1.7396
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+ 1593SOL    HW2 6352   7.600   3.974   2.494  2.8640 -0.2787 -0.1378
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+ 1594SOL    HW1 6354   2.349   3.360   1.972  0.9267  2.7225  0.4432
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+ 1595SOL    HW1 6357   1.038   2.499   2.499  0.9907 -0.0411  0.1827
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+ 1607SOL    HW1 6393   0.543   3.300   1.748  3.6366  1.3877 -2.1220
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+ 1608SOL    HW2 6397   0.154   3.121   1.829  2.2172 -0.2525 -0.9376
+ 1609SOL     OW 6398   2.550   4.870   3.019 -0.4697 -0.1375 -0.0680
+ 1609SOL    HW1 6399   2.532   4.955   2.978 -1.0560 -0.3478 -0.2433
+ 1609SOL    HW2 6400   2.590   4.818   2.950 -1.2502 -0.4166 -0.3091
+ 1610SOL     OW 6401   3.331   2.973   3.267 -0.7690 -0.2562 -0.0421
+ 1610SOL    HW1 6402   3.410   2.955   3.216  0.5845  0.0473  1.8912
+ 1610SOL    HW2 6403   3.358   2.958   3.358 -2.2834  2.1226  0.8248
+ 1611SOL     OW 6404   7.810   4.287   3.096 -0.2303 -0.0035 -0.0100
+ 1611SOL    HW1 6405   7.787   4.280   3.189 -1.1514 -0.0322 -0.2301
+ 1611SOL    HW2 6406   7.725   4.291   3.051  0.2116 -0.1726 -0.8624
+ 1612SOL     OW 6407   2.046   3.128   4.045  0.0407  0.1827 -0.0885
+ 1612SOL    HW1 6408   2.002   3.043   4.052 -0.1705  0.3087  0.1117
+ 1612SOL    HW2 6409   1.975   3.191   4.034  0.2061  0.3223 -0.3531
+ 1613SOL     OW 6410   2.143   1.049   3.984  0.3283  0.5472  0.2693
+ 1613SOL    HW1 6411   2.107   1.108   3.918  0.1938 -1.4751 -1.5291
+ 1613SOL    HW2 6412   2.068   1.025   4.038  0.0172  0.5284 -0.1662
+ 1614SOL     OW 6413   2.059   2.071   2.679 -0.0921  0.0024  0.1780
+ 1614SOL    HW1 6414   2.145   2.050   2.641  0.0055 -2.2896  1.6187
+ 1614SOL    HW2 6415   2.077   2.144   2.738  0.8646 -0.4772  0.4854
+ 1615SOL     OW 6416   3.128   3.348   2.220 -0.8743  0.3650 -0.1367
+ 1615SOL    HW1 6417   3.204   3.291   2.202  2.0429  3.5504  1.4696
+ 1615SOL    HW2 6418   3.077   3.346   2.140  1.1215 -1.5966 -1.4167
+ 1616SOL     OW 6419   3.349   3.302   1.718  0.2329  0.3144  0.0089
+ 1616SOL    HW1 6420   3.435   3.335   1.742  1.8193 -2.7835 -1.1571
+ 1616SOL    HW2 6421   3.332   3.341   1.632 -0.8316  3.0702  1.3699
+ 1617SOL     OW 6422   0.044   1.390   3.015 -0.0674  0.3015 -0.5315
+ 1617SOL    HW1 6423   0.103   1.316   3.002 -1.1124 -1.0518  2.2204
+ 1617SOL    HW2 6424  -0.043   1.355   2.995 -0.5746  0.7762  0.8276
+ 1618SOL     OW 6425   7.224   4.575   3.452  0.1209 -0.2988  0.2834
+ 1618SOL    HW1 6426   7.168   4.543   3.381 -0.0953 -0.1354  0.3799
+ 1618SOL    HW2 6427   7.242   4.498   3.505 -1.0972 -0.1089  0.9940
+ 1619SOL     OW 6428   2.240   2.611   4.222  0.5590 -0.7108 -0.4877
+ 1619SOL    HW1 6429   2.212   2.656   4.143  0.1851 -0.6805 -0.3422
+ 1619SOL    HW2 6430   2.241   2.518   4.198  1.4707 -0.6144 -0.8288
+ 1620SOL     OW 6431   0.662   1.113   0.709  0.3284  0.5094 -0.5843
+ 1620SOL    HW1 6432   0.659   1.184   0.645 -0.5356  2.6825  1.8058
+ 1620SOL    HW2 6433   0.597   1.050   0.677  0.9971  0.8152 -2.6536
+ 1621SOL     OW 6434   1.864   2.850   2.367 -0.1220  0.0233  0.0391
+ 1621SOL    HW1 6435   1.937   2.789   2.368 -0.2328 -0.1169 -0.2938
+ 1621SOL    HW2 6436   1.823   2.836   2.282  0.8103  1.7057 -0.6964
+ 1622SOL     OW 6437   7.811   1.599   4.284  0.0320 -0.0690 -0.7764
+ 1622SOL    HW1 6438   7.902   1.601   4.316 -0.2536 -0.0233  0.0508
+ 1622SOL    HW2 6439   7.764   1.658   4.342 -0.6403 -0.5227 -0.8516
+ 1623SOL     OW 6440   6.919   4.271   4.164  0.4173 -0.2825 -0.6331
+ 1623SOL    HW1 6441   6.939   4.364   4.155 -0.8918  0.2645  1.6662
+ 1623SOL    HW2 6442   6.825   4.264   4.144  0.5129 -1.1142 -0.8193
+ 1624SOL     OW 6443   0.714   4.978   3.799 -0.2766  0.5021 -0.1396
+ 1624SOL    HW1 6444   0.647   5.045   3.807 -1.0188 -0.4624  1.7936
+ 1624SOL    HW2 6445   0.696   4.916   3.869  1.0141 -1.1978 -1.2551
+ 1625SOL     OW 6446   2.344   3.308   2.789  0.0054  0.2017  0.2975
+ 1625SOL    HW1 6447   2.266   3.254   2.802 -0.4047  0.3256 -1.4820
+ 1625SOL    HW2 6448   2.309   3.396   2.773  0.4087 -0.0541 -2.1301
+ 1626SOL     OW 6449   1.576   2.594   2.707 -0.0606 -0.6682  0.2286
+ 1626SOL    HW1 6450   1.510   2.572   2.641  0.1938 -0.5749 -0.0561
+ 1626SOL    HW2 6451   1.535   2.663   2.760 -0.0332 -0.3202 -0.2025
+ 1627SOL     OW 6452   2.080   3.382   3.891 -0.2753 -0.5312  0.1078
+ 1627SOL    HW1 6453   2.009   3.390   3.954  0.5380 -0.4773  1.0236
+ 1627SOL    HW2 6454   2.126   3.302   3.916 -0.8881 -1.3852 -1.3931
+ 1628SOL     OW 6455   0.557   1.684   2.764 -0.7810 -0.6443 -0.0340
+ 1628SOL    HW1 6456   0.495   1.667   2.693  0.7848  0.2430 -1.6433
+ 1628SOL    HW2 6457   0.530   1.769   2.800 -1.4473 -0.9989  0.3241
+ 1629SOL     OW 6458   2.808   2.979   2.433 -0.3642 -0.3847 -0.0113
+ 1629SOL    HW1 6459   2.830   2.910   2.370  0.0288 -0.9330  0.7272
+ 1629SOL    HW2 6460   2.865   3.052   2.408 -0.9675 -0.2313 -0.9582
+ 1630SOL     OW 6461   2.629   0.599   3.297 -0.1761  0.5337  0.5845
+ 1630SOL    HW1 6462   2.710   0.604   3.348 -0.1336 -0.5596  0.6238
+ 1630SOL    HW2 6463   2.581   0.526   3.335 -1.0067  0.9237  0.2959
+ 1631SOL     OW 6464   0.030   0.099   3.105 -0.6172 -0.1205  0.1026
+ 1631SOL    HW1 6465  -0.025   0.166   3.144 -0.5722  0.6762 -1.1833
+ 1631SOL    HW2 6466   0.092   0.076   3.175 -0.2833  1.5694  0.3983
+ 1632SOL     OW 6467   0.798   1.367   2.496 -0.0460  0.3370  0.3694
+ 1632SOL    HW1 6468   0.704   1.369   2.479  0.2955 -1.7332 -2.0013
+ 1632SOL    HW2 6469   0.818   1.455   2.530 -2.2708  1.9055 -2.1855
+ 1633SOL     OW 6470   0.578   4.609   5.037 -0.3286 -0.3643 -0.6811
+ 1633SOL    HW1 6471   0.631   4.563   4.972  0.4963  0.1166 -0.3530
+ 1633SOL    HW2 6472   0.536   4.539   5.087 -2.3166 -0.7562 -2.7881
+ 1634SOL     OW 6473   1.197   2.616   1.265  0.0596 -0.2639 -0.7036
+ 1634SOL    HW1 6474   1.156   2.697   1.234 -0.0782  0.2147  0.6927
+ 1634SOL    HW2 6475   1.125   2.560   1.292  0.0568 -1.5163 -3.1361
+ 1635SOL     OW 6476   7.190   1.567   2.427 -0.1658  0.8636 -0.4941
+ 1635SOL    HW1 6477   7.157   1.498   2.369 -2.1767 -0.0800  1.6931
+ 1635SOL    HW2 6478   7.280   1.539   2.447 -0.6468 -0.6415 -0.3514
+ 1636SOL     OW 6479   0.554   0.755   1.925 -0.4591 -0.1385 -0.0372
+ 1636SOL    HW1 6480   0.558   0.659   1.931 -1.6802 -0.1979  0.0083
+ 1636SOL    HW2 6481   0.482   0.772   1.864 -0.5914  0.7468  0.3566
+ 1637SOL     OW 6482   0.986   1.277   0.467  0.2623 -0.5202  0.2873
+ 1637SOL    HW1 6483   0.959   1.340   0.401 -1.4466 -0.7214  0.7794
+ 1637SOL    HW2 6484   0.928   1.293   0.542  0.8470 -1.6199  0.9938
+ 1638SOL     OW 6485   0.359   3.973   1.792 -0.0415  0.4298  0.0484
+ 1638SOL    HW1 6486   0.284   4.016   1.833  0.8629  1.0845  1.0611
+ 1638SOL    HW2 6487   0.406   4.044   1.747 -0.8374 -0.2304 -1.8453
+ 1639SOL     OW 6488   6.773   4.027   2.780 -0.1709 -0.4787 -0.3496
+ 1639SOL    HW1 6489   6.854   3.988   2.746  0.1192 -0.5824  0.4660
+ 1639SOL    HW2 6490   6.703   3.974   2.742  0.1643 -0.7445 -0.5974
+ 1640SOL     OW 6491   0.508   1.392   5.080  0.4527 -1.0212 -0.2099
+ 1640SOL    HW1 6492   0.521   1.351   5.166  0.9059  1.1681  0.8022
+ 1640SOL    HW2 6493   0.412   1.396   5.070  0.3742 -0.2378  0.7405
+ 1641SOL     OW 6494   0.838   2.947   4.815  0.5146 -0.2809  0.8835
+ 1641SOL    HW1 6495   0.786   3.028   4.811  2.0789  0.7579  0.7624
+ 1641SOL    HW2 6496   0.817   2.909   4.900  0.9929  1.1370  1.6551
+ 1642SOL     OW 6497   6.935   2.725   3.341  0.0937 -0.6433  0.2906
+ 1642SOL    HW1 6498   6.971   2.814   3.348 -0.9062 -0.2969  1.0496
+ 1642SOL    HW2 6499   6.951   2.686   3.426  0.2543 -1.0978  0.0534
+ 1643SOL     OW 6500   1.361   4.869   4.699  0.1595 -0.3587  0.5057
+ 1643SOL    HW1 6501   1.410   4.813   4.760  3.7521 -0.9270 -2.7356
+ 1643SOL    HW2 6502   1.313   4.807   4.643  0.7971 -0.0455 -0.3946
+ 1644SOL     OW 6503   0.640   1.515   4.052 -0.6354 -0.0064 -0.3400
+ 1644SOL    HW1 6504   0.598   1.587   4.005 -0.1383  0.5017 -0.0026
+ 1644SOL    HW2 6505   0.635   1.441   3.991  0.1349  0.6820 -1.2547
+ 1645SOL     OW 6506   2.132   0.765   4.863  0.2910 -0.2839  0.5187
+ 1645SOL    HW1 6507   2.090   0.679   4.860 -0.6439  0.1734  0.2489
+ 1645SOL    HW2 6508   2.145   0.788   4.771  1.9121 -0.7966  0.6185
+ 1646SOL     OW 6509   7.821   2.643   4.131 -0.4290  0.3327 -0.4849
+ 1646SOL    HW1 6510   7.754   2.575   4.130  0.4915 -0.6355  1.3337
+ 1646SOL    HW2 6511   7.788   2.710   4.190 -0.2838  0.3660 -0.4400
+ 1647SOL     OW 6512   0.278   2.719   6.623  0.5712 -0.4634 -0.3732
+ 1647SOL    HW1 6513   0.356   2.665   6.640 -1.6891 -3.1849  1.8090
+ 1647SOL    HW2 6514   0.265   2.768   6.704  0.3045  0.4178 -0.9417
+ 1648SOL     OW 6515   2.257   3.566   3.661  0.2222 -0.5120 -0.1237
+ 1648SOL    HW1 6516   2.237   3.622   3.735 -1.7198 -2.4099  0.8452
+ 1648SOL    HW2 6517   2.352   3.553   3.665  0.4054  1.0514  0.7993
+ 1649SOL     OW 6518   0.604   2.655   5.118  0.0472  0.4159 -0.1146
+ 1649SOL    HW1 6519   0.512   2.629   5.112 -0.0289  1.0044 -1.7600
+ 1649SOL    HW2 6520   0.640   2.600   5.188 -1.0121 -1.4177 -0.9853
+ 1650SOL     OW 6521   7.682   3.643   3.910 -0.1837  0.1995 -0.1358
+ 1650SOL    HW1 6522   7.764   3.683   3.882 -0.9771  1.9225 -0.0345
+ 1650SOL    HW2 6523   7.615   3.707   3.887 -1.4195 -0.8126  0.5922
+ 1651SOL     OW 6524   0.728   3.989   5.110  0.2103  0.1164 -0.2468
+ 1651SOL    HW1 6525   0.820   4.014   5.121  0.4112 -0.6387 -0.1881
+ 1651SOL    HW2 6526   0.700   4.035   5.031  0.7013  0.1668 -0.3921
+ 1652SOL     OW 6527   1.390   2.664   3.264 -0.2296  0.3230  0.7503
+ 1652SOL    HW1 6528   1.313   2.705   3.224 -0.1346 -3.1342 -3.4298
+ 1652SOL    HW2 6529   1.463   2.718   3.235 -0.3622 -1.0870 -2.4194
+ 1653SOL     OW 6530   2.253   1.943   6.593 -0.1047 -0.4536  0.7167
+ 1653SOL    HW1 6531   2.232   2.022   6.544 -1.8068 -0.9258  0.6734
+ 1653SOL    HW2 6532   2.256   1.971   6.685  1.8755  0.1736  0.4913
+ 1654SOL     OW 6533   0.327   3.901   5.453 -0.3148 -0.2215  0.3843
+ 1654SOL    HW1 6534   0.380   3.909   5.374 -0.6406 -1.6695 -0.0136
+ 1654SOL    HW2 6535   0.363   3.964   5.514  1.0421 -0.2931 -0.3321
+ 1655SOL     OW 6536   1.149   3.683   4.905  0.0573  0.7587 -0.2747
+ 1655SOL    HW1 6537   1.189   3.687   4.992  0.9069  0.4368 -0.6404
+ 1655SOL    HW2 6538   1.126   3.774   4.885  0.8581  0.9955 -0.1630
+ 1656SOL     OW 6539   6.852   3.864   5.517 -0.1320 -0.3279  0.0940
+ 1656SOL    HW1 6540   6.934   3.899   5.551  0.6083 -0.7556 -1.1744
+ 1656SOL    HW2 6541   6.786   3.887   5.582  0.7725  1.1603  0.4994
+ 1657SOL     OW 6542   1.692   4.759   6.530 -0.5304  0.3209  0.2854
+ 1657SOL    HW1 6543   1.758   4.753   6.461  0.9608  2.8413  1.4105
+ 1657SOL    HW2 6544   1.648   4.843   6.514 -2.3108 -0.5335  0.5696
+ 1658SOL     OW 6545   7.917   3.001   6.664  0.0780 -0.0299  0.1222
+ 1658SOL    HW1 6546   7.980   3.040   6.725 -0.2523  0.1769  0.3388
+ 1658SOL    HW2 6547   7.970   2.953   6.601  0.5754  1.7228 -0.8243
+ 1659SOL     OW 6548   1.755   2.676   3.870 -0.0789 -0.4140  0.2294
+ 1659SOL    HW1 6549   1.668   2.674   3.830  0.3752  0.9913 -0.9010
+ 1659SOL    HW2 6550   1.809   2.722   3.805  0.6957  1.9298  2.4426
+ 1660SOL     OW 6551   1.224   2.281   5.064  0.4879 -0.0515  0.1353
+ 1660SOL    HW1 6552   1.159   2.224   5.023 -0.7476  1.3829  0.0784
+ 1660SOL    HW2 6553   1.285   2.304   4.994 -0.2772  0.4916 -0.3513
+ 1661SOL     OW 6554   1.295   2.236   3.373  0.0592 -0.1797  0.4361
+ 1661SOL    HW1 6555   1.237   2.306   3.403  0.9153  0.9850 -0.5134
+ 1661SOL    HW2 6556   1.336   2.272   3.294 -0.2309 -2.1553 -0.6443
+ 1662SOL     OW 6557   2.263   2.509   2.829 -0.0100  0.3802 -0.2853
+ 1662SOL    HW1 6558   2.350   2.506   2.788  0.7955 -1.1247  1.4580
+ 1662SOL    HW2 6559   2.204   2.531   2.757  1.4472 -1.4904 -2.1434
+ 1663SOL     OW 6560   2.156   2.825   4.069 -0.8490  1.3142 -0.1074
+ 1663SOL    HW1 6561   2.186   2.848   4.157 -0.0593 -0.7214  0.1866
+ 1663SOL    HW2 6562   2.061   2.839   4.071 -1.0868 -0.3374  1.6264
+ 1664SOL     OW 6563   1.336   3.234   4.580 -0.4193 -0.4559  0.1034
+ 1664SOL    HW1 6564   1.378   3.148   4.575  2.3088  0.7120  1.4424
+ 1664SOL    HW2 6565   1.316   3.245   4.673 -0.3400  0.5293  0.0071
+ 1665SOL     OW 6566   6.722   3.533   4.145  0.6204  0.3395  0.2236
+ 1665SOL    HW1 6567   6.760   3.598   4.086  1.0460 -0.5066 -0.4528
+ 1665SOL    HW2 6568   6.698   3.460   4.088  1.7742 -0.8148  1.1798
+ 1666SOL     OW 6569   1.443   2.977   3.448 -0.5828  0.0198  0.1375
+ 1666SOL    HW1 6570   1.413   2.982   3.357 -1.9253 -0.6489  0.5268
+ 1666SOL    HW2 6571   1.410   3.058   3.488  1.1994  0.9885 -0.2918
+ 1667SOL     OW 6572   2.248   3.032   4.694 -0.1723 -0.0184  0.2758
+ 1667SOL    HW1 6573   2.312   3.008   4.761 -0.1061 -1.6167 -0.3378
+ 1667SOL    HW2 6574   2.283   3.112   4.654  1.2138 -0.6162  0.2664
+ 1668SOL     OW 6575   1.640   1.487   2.952  0.4553  0.0439  0.5391
+ 1668SOL    HW1 6576   1.668   1.563   3.003 -0.4906 -0.8315  2.3958
+ 1668SOL    HW2 6577   1.712   1.425   2.960 -0.2619 -0.6298  1.9855
+ 1669SOL     OW 6578   0.212   2.542   3.112 -0.3674  0.2954 -0.4655
+ 1669SOL    HW1 6579   0.129   2.497   3.126 -0.2900  0.6529  1.2034
+ 1669SOL    HW2 6580   0.274   2.498   3.171  0.4818  0.4326 -1.2400
+ 1670SOL     OW 6581   1.140   3.515   3.126 -0.0618 -0.3997  0.2318
+ 1670SOL    HW1 6582   1.223   3.467   3.131  1.5327  2.0836 -0.9208
+ 1670SOL    HW2 6583   1.102   3.506   3.213  1.6419 -1.2382  0.9189
+ 1671SOL     OW 6584   7.262   4.378   5.846 -0.2799 -0.2130  0.3554
+ 1671SOL    HW1 6585   7.271   4.462   5.801 -0.3423 -0.3947  0.0012
+ 1671SOL    HW2 6586   7.183   4.338   5.808 -0.7414 -0.0527  1.1335
+ 1672SOL     OW 6587   0.146   1.817   5.890 -0.6430  0.1300  0.1528
+ 1672SOL    HW1 6588   0.176   1.906   5.873  0.3841  0.3338  2.8303
+ 1672SOL    HW2 6589   0.053   1.825   5.908 -1.0174  0.3474 -1.7644
+ 1673SOL     OW 6590   1.147   3.269   4.353  0.1483  0.7519  0.1087
+ 1673SOL    HW1 6591   1.165   3.239   4.442 -1.0609 -0.4957 -0.0553
+ 1673SOL    HW2 6592   1.064   3.229   4.330 -0.0474  1.8769 -1.2283
+ 1674SOL     OW 6593   0.725   2.163   2.678  0.1344 -0.0562 -0.4845
+ 1674SOL    HW1 6594   0.713   2.250   2.716 -2.2765 -1.0749  1.2338
+ 1674SOL    HW2 6595   0.713   2.176   2.584 -2.0590  1.2067 -0.0718
+ 1675SOL     OW 6596   1.118   2.841   2.861 -0.1939  0.7804  0.0131
+ 1675SOL    HW1 6597   1.177   2.776   2.824  0.9372  0.1343  2.8144
+ 1675SOL    HW2 6598   1.046   2.846   2.799  1.6961 -0.0708 -2.3509
+ 1676SOL     OW 6599   2.208   3.753   5.020  0.0881  0.0825  0.4453
+ 1676SOL    HW1 6600   2.228   3.843   5.047  0.1064  0.6525 -1.3763
+ 1676SOL    HW2 6601   2.293   3.714   5.000  0.1696 -0.6872  2.2112
+ 1677SOL     OW 6602   1.894   3.472   3.516 -0.0506 -0.3973 -0.2271
+ 1677SOL    HW1 6603   1.881   3.554   3.468  0.8928 -1.1485 -1.8049
+ 1677SOL    HW2 6604   1.817   3.419   3.494 -1.0758  0.3634  1.4604
+ 1678SOL     OW 6605   3.929   0.661   6.200  0.6789  0.0088  0.7890
+ 1678SOL    HW1 6606   3.915   0.725   6.131  0.3433 -0.1408  0.7127
+ 1678SOL    HW2 6607   4.019   0.630   6.188  0.5106 -0.2664  0.2079
+ 1679SOL     OW 6608   1.099   2.166   4.184 -0.1005 -0.2597 -0.4577
+ 1679SOL    HW1 6609   1.154   2.189   4.109 -1.4222  0.6089 -1.1880
+ 1679SOL    HW2 6610   1.015   2.142   4.145 -0.9480  0.6451  0.7720
+ 1680SOL     OW 6611   0.314   4.856   6.314  0.2510  0.1477  0.7742
+ 1680SOL    HW1 6612   0.244   4.796   6.289  1.9435 -1.7642  0.4882
+ 1680SOL    HW2 6613   0.308   4.862   6.410 -0.4280  0.1583  0.7308
+ 1681SOL     OW 6614   1.002   2.373   3.650 -0.1417 -0.2171  0.1365
+ 1681SOL    HW1 6615   0.987   2.367   3.556  0.3262  0.8945 -0.0279
+ 1681SOL    HW2 6616   1.015   2.467   3.666  0.9356 -0.5174  1.1247
+ 1682SOL     OW 6617   1.903   2.647   2.855  0.2678 -1.0596  0.1536
+ 1682SOL    HW1 6618   1.904   2.557   2.888 -0.6471 -1.7803 -1.7078
+ 1682SOL    HW2 6619   1.822   2.653   2.805  0.0160  1.0127  0.7698
+ 1683SOL     OW 6620   0.913   2.512   4.976  0.4444 -0.6024  0.4307
+ 1683SOL    HW1 6621   0.963   2.511   4.895  0.8584 -2.9472  0.6767
+ 1683SOL    HW2 6622   0.848   2.443   4.965 -1.4954  1.1101  0.8951
+ 1684SOL     OW 6623   0.023   4.454   6.038  0.1577 -0.0578 -0.5869
+ 1684SOL    HW1 6624   0.113   4.428   6.060  0.0109  0.6732  0.9419
+ 1684SOL    HW2 6625   0.033   4.519   5.969  0.8746  0.7658  0.2726
+ 1685SOL     OW 6626   1.353   1.330   3.265 -0.4574 -0.3593 -0.1762
+ 1685SOL    HW1 6627   1.444   1.342   3.289 -1.4358  2.8326  2.3222
+ 1685SOL    HW2 6628   1.325   1.252   3.314 -0.0946  0.9862  2.2403
+ 1686SOL     OW 6629   3.104   2.831   5.559 -0.2853  0.0547  0.2296
+ 1686SOL    HW1 6630   3.074   2.798   5.474 -1.3364 -1.0217  1.0046
+ 1686SOL    HW2 6631   3.039   2.800   5.622 -0.1009  1.7345  1.3008
+ 1687SOL     OW 6632   2.122   3.765   5.342  0.1596  0.8671  0.6485
+ 1687SOL    HW1 6633   2.190   3.758   5.409  2.0881 -0.8495 -1.3816
+ 1687SOL    HW2 6634   2.170   3.763   5.259 -2.3284  0.2579 -0.8317
+ 1688SOL     OW 6635   0.379   2.003   5.260  0.8442 -0.2890  0.3384
+ 1688SOL    HW1 6636   0.402   2.006   5.167 -0.9201  2.6383 -0.0378
+ 1688SOL    HW2 6637   0.316   1.931   5.266 -0.6229  0.8392 -1.1298
+ 1689SOL     OW 6638   2.914   3.259   5.128 -0.3995 -0.7149  0.4607
+ 1689SOL    HW1 6639   2.894   3.333   5.072 -1.5035 -1.0207  0.4538
+ 1689SOL    HW2 6640   2.829   3.220   5.150  0.1734 -2.1919  0.1588
+ 1690SOL     OW 6641   6.999   4.591   4.745 -0.1979 -0.5536 -0.3834
+ 1690SOL    HW1 6642   7.022   4.671   4.792 -0.1471 -1.2835  0.8680
+ 1690SOL    HW2 6643   7.082   4.558   4.711 -0.2028 -0.1400 -0.7937
+ 1691SOL     OW 6644   1.797   3.728   3.465  0.5862  0.1059 -0.4266
+ 1691SOL    HW1 6645   1.848   3.795   3.511  0.4543 -0.1706  0.1240
+ 1691SOL    HW2 6646   1.770   3.771   3.383  0.6835  0.6531 -0.1762
+ 1692SOL     OW 6647   2.942   3.926   5.440 -0.0931 -0.2858 -0.7248
+ 1692SOL    HW1 6648   2.993   3.862   5.391 -0.6894  0.4676 -2.3771
+ 1692SOL    HW2 6649   3.005   3.968   5.499  0.7040 -0.9648 -1.0938
+ 1693SOL     OW 6650   7.432   2.127   4.371 -0.6893 -0.0924  0.2930
+ 1693SOL    HW1 6651   7.495   2.123   4.299  0.7075  0.4117  1.4511
+ 1693SOL    HW2 6652   7.348   2.105   4.331  0.3346 -1.5023 -1.1597
+ 1694SOL     OW 6653   2.354   4.061   3.657 -0.7820  0.1619  0.4033
+ 1694SOL    HW1 6654   2.268   4.044   3.619 -1.8148  2.8890  1.4144
+ 1694SOL    HW2 6655   2.341   4.136   3.715  2.2424  0.5256  0.7108
+ 1695SOL     OW 6656   0.749   1.996   6.763 -0.3183  0.0804 -0.1689
+ 1695SOL    HW1 6657   0.845   2.003   6.761 -0.3312  0.2143 -0.2992
+ 1695SOL    HW2 6658   0.719   2.079   6.799 -0.3884  0.0519 -0.1607
+ 1696SOL     OW 6659   1.265   3.229   4.031  0.1511 -0.5955  0.5622
+ 1696SOL    HW1 6660   1.263   3.207   4.124 -1.3286  1.1294  0.9492
+ 1696SOL    HW2 6661   1.174   3.239   4.006  0.6449  1.8076 -0.3778
+ 1697SOL     OW 6662   7.557   4.347   3.418  0.1601 -0.1208  0.4409
+ 1697SOL    HW1 6663   7.497   4.295   3.365 -1.6815  2.1609  0.2233
+ 1697SOL    HW2 6664   7.561   4.432   3.374  1.9615  0.4275  1.5895
+ 1698SOL     OW 6665   1.459   2.189   3.066 -0.6839  0.0406  0.3162
+ 1698SOL    HW1 6666   1.402   2.256   3.104  0.9687  1.8161 -0.2642
+ 1698SOL    HW2 6667   1.495   2.229   2.987  2.2006 -0.5927  1.2226
+ 1699SOL     OW 6668   0.791   4.147   4.004  0.2556 -0.2660 -0.3334
+ 1699SOL    HW1 6669   0.708   4.161   3.958  0.5707 -0.3061 -0.9255
+ 1699SOL    HW2 6670   0.771   4.084   4.073 -0.6191  1.1295  0.7265
+ 1700SOL     OW 6671   0.402   0.697   5.762  0.1576  0.2321 -0.2106
+ 1700SOL    HW1 6672   0.491   0.681   5.792 -0.0437 -1.5113 -0.4952
+ 1700SOL    HW2 6673   0.412   0.738   5.676  0.6940 -2.9439 -1.7125
+ 1701SOL     OW 6674   7.555   3.489   5.024  0.4144 -0.4202  0.1699
+ 1701SOL    HW1 6675   7.536   3.396   5.036  0.9367 -0.4593  0.7787
+ 1701SOL    HW2 6676   7.547   3.504   4.930 -1.5638 -0.6456  0.2849
+ 1702SOL     OW 6677   0.494   2.962   5.399 -0.1193  0.1275  0.3476
+ 1702SOL    HW1 6678   0.432   2.889   5.394  0.8940 -0.8986  2.4787
+ 1702SOL    HW2 6679   0.576   2.922   5.426  1.0785  1.7339 -0.8106
+ 1703SOL     OW 6680   0.232   3.525   5.041 -0.1055  0.0169 -0.4822
+ 1703SOL    HW1 6681   0.193   3.443   5.070  1.3071  0.0694  1.7078
+ 1703SOL    HW2 6682   0.251   3.512   4.948  0.4386 -2.2630 -0.0724
+ 1704SOL     OW 6683   2.010   1.848   5.243  0.1453 -0.3951  0.0160
+ 1704SOL    HW1 6684   2.025   1.768   5.293 -2.4880 -1.7347 -1.2590
+ 1704SOL    HW2 6685   1.939   1.893   5.291 -0.4534 -0.3123 -0.9321
+ 1705SOL     OW 6686   0.804   3.636   3.955 -0.0714 -0.5881 -0.0959
+ 1705SOL    HW1 6687   0.883   3.582   3.953 -0.7704 -1.6241  0.1046
+ 1705SOL    HW2 6688   0.803   3.680   3.870  0.3286 -1.1367 -0.3887
+ 1706SOL     OW 6689   0.684   2.579   4.052  0.3867 -0.3524 -0.4401
+ 1706SOL    HW1 6690   0.691   2.571   4.147  0.9348 -0.1849 -0.4636
+ 1706SOL    HW2 6691   0.647   2.495   4.024 -1.8030  0.4143  0.1198
+ 1707SOL     OW 6692   0.724   4.445   4.903  0.4742  0.4186  0.4986
+ 1707SOL    HW1 6693   0.790   4.403   4.957  0.3099 -1.6181 -0.8325
+ 1707SOL    HW2 6694   0.766   4.457   4.818 -0.7247 -0.5515 -0.2529
+ 1708SOL     OW 6695   1.568   4.073   4.268 -0.1540 -0.6005  0.3729
+ 1708SOL    HW1 6696   1.561   3.982   4.240  0.1769 -0.2528 -0.9051
+ 1708SOL    HW2 6697   1.624   4.071   4.346 -0.4576 -1.5222  0.5662
+ 1709SOL     OW 6698   6.988   1.418   5.954 -0.3259 -0.0524  0.1565
+ 1709SOL    HW1 6699   6.998   1.465   6.037 -0.2245 -1.3570  0.8893
+ 1709SOL    HW2 6700   7.059   1.354   5.954  0.6865  1.0124 -1.6936
+ 1710SOL     OW 6701   0.350   2.579   3.516  0.1171  0.4193 -0.0294
+ 1710SOL    HW1 6702   0.377   2.608   3.603 -1.1326  0.2120  0.4290
+ 1710SOL    HW2 6703   0.266   2.535   3.529 -0.2798  0.7278 -1.3898
+ 1711SOL     OW 6704   2.414   2.279   1.550 -0.4523  0.0639 -0.6563
+ 1711SOL    HW1 6705   2.396   2.263   1.643  0.0372 -0.6041 -0.6749
+ 1711SOL    HW2 6706   2.332   2.261   1.505 -0.0705 -1.8549 -0.6128
+ 1712SOL     OW 6707   0.881   2.059   5.988  0.3270  0.6347  0.6686
+ 1712SOL    HW1 6708   0.966   2.017   6.001  0.2827  0.8927  1.8223
+ 1712SOL    HW2 6709   0.837   2.003   5.924  1.0940  0.1226  0.5738
+ 1713SOL     OW 6710   1.339   1.788   3.058 -0.4892  0.4509 -0.1067
+ 1713SOL    HW1 6711   1.306   1.724   2.995  1.8256 -1.1128  0.2141
+ 1713SOL    HW2 6712   1.341   1.871   3.009 -1.8112 -0.0577 -1.0629
+ 1714SOL     OW 6713   2.550   4.757   6.327  0.2533 -0.2363  0.0305
+ 1714SOL    HW1 6714   2.481   4.811   6.287  1.7594  1.5424 -0.1957
+ 1714SOL    HW2 6715   2.592   4.714   6.252  2.0489  1.8859 -0.2439
+ 1715SOL     OW 6716   0.602   4.319   3.649  0.1228  0.2585 -0.2557
+ 1715SOL    HW1 6717   0.624   4.401   3.606 -0.1270 -0.0330 -0.9529
+ 1715SOL    HW2 6718   0.542   4.276   3.589  0.3264 -0.4756  0.0565
+ 1716SOL     OW 6719   0.655   2.464   2.766  0.3232  0.1934 -0.1715
+ 1716SOL    HW1 6720   0.598   2.420   2.829 -1.9611 -3.8293 -4.7433
+ 1716SOL    HW2 6721   0.596   2.515   2.710  1.8803  0.8093 -1.3291
+ 1717SOL     OW 6722   1.523   3.777   4.633  0.1121 -0.0527  0.3241
+ 1717SOL    HW1 6723   1.474   3.735   4.562 -1.0109  0.6200  0.6895
+ 1717SOL    HW2 6724   1.614   3.777   4.602 -0.2315 -0.5566 -0.7305
+ 1718SOL     OW 6725   2.422   1.502   3.900  0.5352 -0.1674 -0.3101
+ 1718SOL    HW1 6726   2.445   1.458   3.982  3.8071 -0.8711 -1.5230
+ 1718SOL    HW2 6727   2.453   1.443   3.831 -1.0201  0.9926 -2.0613
+ 1719SOL     OW 6728   1.086   1.573   5.265 -0.2563 -0.2242  0.1247
+ 1719SOL    HW1 6729   1.153   1.537   5.207 -1.6497 -2.7288  0.0077
+ 1719SOL    HW2 6730   1.090   1.518   5.343 -2.4340 -0.6800 -0.0574
+ 1720SOL     OW 6731   7.652   2.365   5.005  0.0061 -0.2247  0.5286
+ 1720SOL    HW1 6732   7.593   2.384   4.932 -2.0643 -1.4482  1.8390
+ 1720SOL    HW2 6733   7.614   2.412   5.079  2.1414  1.0824  0.8209
+ 1721SOL     OW 6734   0.845   3.293   5.450  0.3514 -0.6414 -0.4911
+ 1721SOL    HW1 6735   0.804   3.267   5.367  2.3564 -1.6970 -1.1799
+ 1721SOL    HW2 6736   0.816   3.227   5.513 -0.6499 -0.2107 -0.4999
+ 1722SOL     OW 6737   1.611   0.604   5.205 -0.1608 -0.0386 -0.3522
+ 1722SOL    HW1 6738   1.525   0.612   5.247  0.4241  3.0915  0.3544
+ 1722SOL    HW2 6739   1.602   0.653   5.123  0.9920  0.4900 -0.1726
+ 1723SOL     OW 6740   1.628   3.813   3.877 -0.3614 -0.1821  0.1186
+ 1723SOL    HW1 6741   1.604   3.751   3.808 -0.3277 -2.3704  2.0080
+ 1723SOL    HW2 6742   1.574   3.890   3.860  1.0148  0.0721 -3.4374
+ 1724SOL     OW 6743   7.947   2.309   3.036  0.0799  0.0992  0.5187
+ 1724SOL    HW1 6744   7.890   2.379   3.002  0.5816  0.7052  0.9180
+ 1724SOL    HW2 6745   7.893   2.263   3.100 -0.5155 -0.3755 -0.3127
+ 1725SOL     OW 6746   2.624   1.558   5.671  0.1649 -0.1176 -0.5303
+ 1725SOL    HW1 6747   2.717   1.582   5.670 -0.5697  2.9165 -0.1799
+ 1725SOL    HW2 6748   2.578   1.641   5.662 -2.5409 -1.5008  0.1626
+ 1726SOL     OW 6749   0.438   4.092   5.590 -0.4401  0.1679 -0.0411
+ 1726SOL    HW1 6750   0.385   4.169   5.611  0.7789  0.8682  0.5159
+ 1726SOL    HW2 6751   0.515   4.128   5.545  0.6136 -0.6198  1.1012
+ 1727SOL     OW 6752   2.280   4.499   5.513  0.1677 -0.5592  0.2768
+ 1727SOL    HW1 6753   2.248   4.410   5.500 -0.7869  0.0163 -1.5153
+ 1727SOL    HW2 6754   2.213   4.554   5.471  0.2797  1.0499  2.1642
+ 1728SOL     OW 6755   4.365   1.034   5.189 -0.0548 -0.4728  0.1405
+ 1728SOL    HW1 6756   4.351   0.985   5.270  0.6878  0.0736  0.6046
+ 1728SOL    HW2 6757   4.319   1.117   5.203  1.2378  0.1923  0.5721
+ 1729SOL     OW 6758   0.644   3.168   4.804 -0.5385 -0.0893 -0.0203
+ 1729SOL    HW1 6759   0.565   3.115   4.813 -1.2046  0.6176 -1.4421
+ 1729SOL    HW2 6760   0.649   3.218   4.885 -1.6234 -0.0443  0.0300
+ 1730SOL     OW 6761   1.741   2.404   5.568 -0.1092  0.0092  0.0014
+ 1730SOL    HW1 6762   1.789   2.454   5.502 -0.8813  0.5598 -0.1579
+ 1730SOL    HW2 6763   1.757   2.451   5.649 -0.9992  0.6526 -0.1813
+ 1731SOL     OW 6764   7.807   3.623   5.857 -0.2057  0.9713  0.1144
+ 1731SOL    HW1 6765   7.829   3.715   5.848  0.6943  0.7393 -0.1219
+ 1731SOL    HW2 6766   7.739   3.621   5.925 -2.0070  2.0347 -1.5887
+ 1732SOL     OW 6767   2.052   2.019   4.745  0.3705 -0.1943 -0.1835
+ 1732SOL    HW1 6768   2.083   2.102   4.709 -2.5044  0.5013 -1.1769
+ 1732SOL    HW2 6769   1.984   1.991   4.685 -0.3068 -2.1101  1.4319
+ 1733SOL     OW 6770   1.228   2.432   6.992  0.5904 -0.1450 -0.3786
+ 1733SOL    HW1 6771   1.308   2.470   7.030 -0.2421  0.2013  1.0676
+ 1733SOL    HW2 6772   1.204   2.361   7.053 -0.4475  0.0349 -0.5697
+ 1734SOL     OW 6773   2.127   3.833   5.846  0.0491 -0.0625  0.0867
+ 1734SOL    HW1 6774   2.069   3.758   5.858  0.7185 -0.4439  0.9592
+ 1734SOL    HW2 6775   2.108   3.890   5.921 -0.9245  0.9668 -0.9029
+ 1735SOL     OW 6776   0.554   2.932   5.895 -0.1155 -0.0629  0.4390
+ 1735SOL    HW1 6777   0.472   2.929   5.847  0.6103 -1.1934 -0.7904
+ 1735SOL    HW2 6778   0.606   2.999   5.850  0.3241 -0.6692  0.0339
+ 1736SOL     OW 6779   0.695   3.012   4.507 -0.2081 -0.5184  0.2079
+ 1736SOL    HW1 6780   0.775   3.059   4.531 -0.8880  0.6992  0.1090
+ 1736SOL    HW2 6781   0.634   3.080   4.480 -1.0863 -1.4900 -0.2923
+ 1737SOL     OW 6782   7.940   4.090   3.324  0.2035 -0.4632  0.0812
+ 1737SOL    HW1 6783   7.986   4.140   3.256 -0.2651 -0.6973 -0.4132
+ 1737SOL    HW2 6784   7.984   4.115   3.405 -0.7613  1.6732  0.0001
+ 1738SOL     OW 6785   1.472   3.305   5.511 -0.2058  0.4916  0.5671
+ 1738SOL    HW1 6786   1.452   3.296   5.418  0.7857 -1.3049  0.5011
+ 1738SOL    HW2 6787   1.557   3.349   5.513 -0.2834  0.6391  0.6311
+ 1739SOL     OW 6788   3.210   1.337   5.799 -0.3303  0.2925  0.6070
+ 1739SOL    HW1 6789   3.140   1.399   5.777  0.0454  1.4292  2.5691
+ 1739SOL    HW2 6790   3.281   1.391   5.833  0.6334 -1.0763  0.8169
+ 1740SOL     OW 6791   0.367   4.620   5.347 -0.4120  0.2405  0.4273
+ 1740SOL    HW1 6792   0.305   4.560   5.390 -2.1852  1.2268 -0.7000
+ 1740SOL    HW2 6793   0.390   4.683   5.414  1.1341 -1.4103  1.5059
+ 1741SOL     OW 6794   7.524   4.387   3.820 -0.1373  0.3652 -0.1997
+ 1741SOL    HW1 6795   7.480   4.450   3.877 -0.2268  0.5217 -0.4416
+ 1741SOL    HW2 6796   7.569   4.441   3.755 -0.0366  0.1865 -0.2797
+ 1742SOL     OW 6797   0.179   3.590   4.320  0.2926  0.5372  0.0217
+ 1742SOL    HW1 6798   0.136   3.513   4.282  0.6815 -0.8431  2.3309
+ 1742SOL    HW2 6799   0.258   3.600   4.267 -0.8304  0.6618 -1.6692
+ 1743SOL     OW 6800   0.648   1.797   1.528 -0.1355 -0.7675  0.2311
+ 1743SOL    HW1 6801   0.642   1.702   1.539 -2.4969 -0.5598  0.9605
+ 1743SOL    HW2 6802   0.578   1.818   1.466  1.9363  0.2340 -1.8750
+ 1744SOL     OW 6803   1.925   4.990   4.406 -0.4467 -0.1164  0.3149
+ 1744SOL    HW1 6804   1.927   5.017   4.314  0.4507  1.0257  0.6533
+ 1744SOL    HW2 6805   1.888   4.901   4.405 -2.2032  0.6124 -0.9554
+ 1745SOL     OW 6806   0.522   3.275   3.394 -0.0061  0.1726 -0.3674
+ 1745SOL    HW1 6807   0.532   3.358   3.348  1.2168  1.1893  1.6487
+ 1745SOL    HW2 6808   0.592   3.220   3.359  0.3768  0.6457 -0.3491
+ 1746SOL     OW 6809   7.656   4.066   3.292  0.1245  0.2319 -0.2210
+ 1746SOL    HW1 6810   7.751   4.072   3.304  0.1030  2.0812 -0.8653
+ 1746SOL    HW2 6811   7.644   4.059   3.197 -0.4037  0.6361 -0.1869
+ 1747SOL     OW 6812   1.254   1.424   6.815  0.3417  0.1121  0.1388
+ 1747SOL    HW1 6813   1.287   1.467   6.737 -0.0677 -0.5062 -0.3797
+ 1747SOL    HW2 6814   1.322   1.437   6.881 -0.2425  2.5058  0.3284
+ 1748SOL     OW 6815   1.109   3.503   4.225 -0.6086 -0.1795 -0.1787
+ 1748SOL    HW1 6816   1.123   3.493   4.131 -0.8406 -0.3319 -0.1979
+ 1748SOL    HW2 6817   1.135   3.419   4.262  2.7489  0.9563  0.2776
+ 1749SOL     OW 6818   7.711   1.847   7.599 -0.0994 -0.1546 -0.0736
+ 1749SOL    HW1 6819   7.759   1.853   7.682  0.5113  2.3058 -0.5622
+ 1749SOL    HW2 6820   7.665   1.763   7.603 -0.5779  0.2116  3.0214
+ 1750SOL     OW 6821   2.267   1.775   4.817 -0.0445  0.5238 -0.2283
+ 1750SOL    HW1 6822   2.214   1.804   4.743 -0.4738 -0.6159 -0.3771
+ 1750SOL    HW2 6823   2.258   1.679   4.818  0.9723  0.4181  0.5248
+ 1751SOL     OW 6824   0.004   4.629   4.678 -0.4244 -0.2537 -0.1735
+ 1751SOL    HW1 6825  -0.045   4.585   4.747  1.2529 -1.3140  0.3687
+ 1751SOL    HW2 6826   0.085   4.657   4.720  0.3106 -0.2766 -1.5479
+ 1752SOL     OW 6827   7.880   5.348   3.565  0.3521  0.0263 -0.1933
+ 1752SOL    HW1 6828   7.905   5.386   3.649 -1.0283  1.8754 -0.5914
+ 1752SOL    HW2 6829   7.939   5.388   3.502  1.6661 -1.6735 -0.0903
+ 1753SOL     OW 6830   2.200   3.068   2.507 -0.0356 -0.0511 -0.2461
+ 1753SOL    HW1 6831   2.288   3.057   2.545  0.2539  0.7817 -0.6467
+ 1753SOL    HW2 6832   2.199   3.159   2.477 -0.7863 -0.2744 -0.8976
+ 1754SOL     OW 6833   0.143   3.293   4.346 -0.0761  0.0664  0.3711
+ 1754SOL    HW1 6834   0.092   3.291   4.426  1.0236  0.1717  1.0877
+ 1754SOL    HW2 6835   0.095   3.237   4.285 -0.9622  0.0547  1.0691
+ 1755SOL     OW 6836   0.021   1.939   4.041 -0.0672 -0.2337  0.0838
+ 1755SOL    HW1 6837   0.094   1.909   3.987 -0.6977  0.4822 -1.2015
+ 1755SOL    HW2 6838   0.061   1.992   4.109  0.8093 -1.7362  0.7482
+ 1756SOL     OW 6839   1.627   1.970   3.171 -0.1330  0.7407  0.3053
+ 1756SOL    HW1 6840   1.573   2.047   3.152 -1.1950  0.0515  0.4488
+ 1756SOL    HW2 6841   1.597   1.941   3.257 -0.0072 -0.0469  0.0879
+ 1757SOL     OW 6842   7.526   3.831   4.604  0.2870  0.5620 -0.4151
+ 1757SOL    HW1 6843   7.606   3.794   4.567  0.4862 -0.2586  0.8044
+ 1757SOL    HW2 6844   7.473   3.854   4.528  0.9489 -0.5163 -1.2167
+ 1758SOL     OW 6845   0.812   3.037   3.977 -0.2521  0.2210  0.5985
+ 1758SOL    HW1 6846   0.731   2.987   3.981 -0.5342  0.3244 -2.4415
+ 1758SOL    HW2 6847   0.881   2.971   3.972 -0.0440  0.1242  3.8890
+ 1759SOL     OW 6848   2.741   3.128   4.361 -0.3522  0.2639 -0.4113
+ 1759SOL    HW1 6849   2.733   3.203   4.303  2.9595  2.3186  1.6025
+ 1759SOL    HW2 6850   2.737   3.165   4.449  2.4997 -1.6945  0.6215
+ 1760SOL     OW 6851   1.419   4.002   4.765 -0.6177 -0.4568  0.0619
+ 1760SOL    HW1 6852   1.469   3.929   4.727 -0.2110 -0.3693  0.4320
+ 1760SOL    HW2 6853   1.485   4.063   4.797 -0.9596  0.3864 -0.8281
+ 1761SOL     OW 6854   1.480   5.202   5.024 -0.5030  0.2546  0.2727
+ 1761SOL    HW1 6855   1.386   5.183   5.022 -0.9045  2.2203  0.3144
+ 1761SOL    HW2 6856   1.488   5.280   5.078  1.3913 -1.1328  2.0726
+ 1762SOL     OW 6857   1.658   1.892   5.075  0.0116 -0.0612 -0.3523
+ 1762SOL    HW1 6858   1.727   1.903   5.009 -0.7046  2.2097 -0.7622
+ 1762SOL    HW2 6859   1.696   1.929   5.155 -0.4060  0.3481 -0.3471
+ 1763SOL     OW 6860   7.295   3.361   5.205 -0.0523  0.2426 -0.6754
+ 1763SOL    HW1 6861   7.315   3.330   5.293  0.3876  0.1035 -0.8273
+ 1763SOL    HW2 6862   7.362   3.322   5.149 -0.5435  0.0360 -1.1284
+ 1764SOL     OW 6863   2.018   3.994   3.212  0.3996 -0.2267 -0.3326
+ 1764SOL    HW1 6864   1.999   3.902   3.227  0.6611  0.0366  1.7307
+ 1764SOL    HW2 6865   1.933   4.038   3.219  0.3251 -0.2565 -0.9892
+ 1765SOL     OW 6866   2.865   1.303   4.834  0.5572  0.1002 -0.5631
+ 1765SOL    HW1 6867   2.921   1.364   4.787  0.1711  0.5746 -0.4129
+ 1765SOL    HW2 6868   2.776   1.328   4.809  0.2201  1.9345  2.2799
+ 1766SOL     OW 6869   0.258   3.176   3.392  0.0022 -1.0624  0.0495
+ 1766SOL    HW1 6870   0.349   3.197   3.413  0.1779 -0.2700 -1.4710
+ 1766SOL    HW2 6871   0.253   3.181   3.296 -1.6183 -1.1915  0.1097
+ 1767SOL     OW 6872   7.398   3.538   4.502 -0.2048 -0.0300  0.4892
+ 1767SOL    HW1 6873   7.428   3.478   4.433  1.0172 -0.5529  1.4492
+ 1767SOL    HW2 6874   7.307   3.557   4.479 -0.7221 -2.4833  0.3130
+ 1768SOL     OW 6875   0.124   2.883   2.614  0.0503 -0.2773  0.3325
+ 1768SOL    HW1 6876   0.187   2.954   2.608  0.2048 -0.4363  0.0148
+ 1768SOL    HW2 6877   0.087   2.877   2.525 -1.3642  0.6837  0.8362
+ 1769SOL     OW 6878   2.331   2.015   4.562  0.6007 -0.1145 -0.1758
+ 1769SOL    HW1 6879   2.308   2.096   4.606  1.6377  0.8335 -1.3461
+ 1769SOL    HW2 6880   2.340   2.039   4.469  2.0380 -1.3113 -0.3731
+ 1770SOL     OW 6881   1.773   0.842   6.101  0.5371 -0.2669 -0.2554
+ 1770SOL    HW1 6882   1.859   0.834   6.060  0.6743  2.0538 -0.4927
+ 1770SOL    HW2 6883   1.714   0.794   6.043  1.0597  1.3246 -2.1725
+ 1771SOL     OW 6884   7.432   1.998   3.306 -0.6599  0.0334 -0.1408
+ 1771SOL    HW1 6885   7.400   2.067   3.364 -0.9555  0.6977 -1.0831
+ 1771SOL    HW2 6886   7.353   1.963   3.265 -0.3542  0.3410 -1.0012
+ 1772SOL     OW 6887   0.468   4.472   3.239 -0.2911  0.8171 -0.0237
+ 1772SOL    HW1 6888   0.532   4.432   3.298 -0.6937  0.6807  0.3216
+ 1772SOL    HW2 6889   0.423   4.537   3.293 -2.0613 -0.7205  0.3895
+ 1773SOL     OW 6890   0.113   2.521   4.885  0.0678 -0.2327  0.4731
+ 1773SOL    HW1 6891   0.020   2.498   4.891 -0.0623  0.0401 -0.4342
+ 1773SOL    HW2 6892   0.141   2.534   4.976 -0.9727  0.4488  0.6981
+ 1774SOL     OW 6893   1.582   3.679   5.460  0.5521 -0.4068 -0.2135
+ 1774SOL    HW1 6894   1.655   3.645   5.511 -0.4130 -2.8861 -0.3948
+ 1774SOL    HW2 6895   1.592   3.639   5.373 -0.7609 -0.4768 -0.3558
+ 1775SOL     OW 6896   0.482   2.960   4.779 -0.0760 -0.0154 -0.2181
+ 1775SOL    HW1 6897   0.492   2.942   4.872 -0.3994 -0.8740 -0.3514
+ 1775SOL    HW2 6898   0.529   2.890   4.735  2.4765  1.9164 -0.6802
+ 1776SOL     OW 6899   1.677   1.979   6.035  0.0882  0.2566  0.4168
+ 1776SOL    HW1 6900   1.721   2.044   5.980  0.4716  0.1522  0.5999
+ 1776SOL    HW2 6901   1.746   1.944   6.092  0.0217 -0.7533 -0.1003
+ 1777SOL     OW 6902   1.565   4.459   4.948 -0.0282 -0.4007  0.4104
+ 1777SOL    HW1 6903   1.482   4.437   4.905  0.5983 -0.3978 -0.8021
+ 1777SOL    HW2 6904   1.539   4.482   5.037 -1.5750  1.3523 -0.4386
+ 1778SOL     OW 6905   6.645   4.719   3.587 -0.3042 -0.2206 -0.3162
+ 1778SOL    HW1 6906   6.578   4.685   3.647 -0.1924 -0.2621 -0.2154
+ 1778SOL    HW2 6907   6.617   4.688   3.501 -0.9703  0.6243 -0.4039
+ 1779SOL     OW 6908   0.811   1.650   4.759  0.3074 -0.4243 -0.0683
+ 1779SOL    HW1 6909   0.790   1.741   4.740  2.6867 -0.0697 -1.1087
+ 1779SOL    HW2 6910   0.777   1.602   4.684 -0.5177 -0.3761  0.2580
+ 1780SOL     OW 6911   1.203   2.855   6.194  0.0235  0.6525 -0.1682
+ 1780SOL    HW1 6912   1.245   2.769   6.197 -1.4718 -0.1099 -0.3187
+ 1780SOL    HW2 6913   1.149   2.858   6.273  0.3130  1.5902  0.0005
+ 1781SOL     OW 6914   0.065   1.360   3.919 -0.3438 -0.1640  0.5143
+ 1781SOL    HW1 6915   0.136   1.378   3.981  0.1463  0.9239 -0.3427
+ 1781SOL    HW2 6916   0.075   1.427   3.851 -1.7714 -0.4344  0.0194
+ 1782SOL     OW 6917   7.552   5.027   5.239 -0.0800  0.0218  0.2403
+ 1782SOL    HW1 6918   7.576   5.116   5.266 -1.3061  0.4890 -0.1550
+ 1782SOL    HW2 6919   7.475   5.006   5.293 -0.2275 -0.5229 -0.1812
+ 1783SOL     OW 6920   6.955   1.123   3.846  0.0046  0.2400  0.4628
+ 1783SOL    HW1 6921   6.901   1.092   3.774 -2.1275  2.1434  1.1951
+ 1783SOL    HW2 6922   6.942   1.059   3.915 -1.3695  0.7050  0.6447
+ 1784SOL     OW 6923   7.039   3.230   4.744 -0.5444 -0.1676  0.2404
+ 1784SOL    HW1 6924   7.120   3.275   4.767 -0.9393  0.6041  0.1288
+ 1784SOL    HW2 6925   7.061   3.137   4.750 -0.0234  0.0248  1.5190
+ 1785SOL     OW 6926   2.670   2.604   4.412 -0.1129  0.3352 -0.2523
+ 1785SOL    HW1 6927   2.712   2.592   4.497 -1.0144 -1.6656 -0.0506
+ 1785SOL    HW2 6928   2.600   2.668   4.429 -1.0575 -0.9407  0.8143
+ 1786SOL     OW 6929   1.505   2.400   3.997  0.7000 -0.4964  0.2855
+ 1786SOL    HW1 6930   1.481   2.491   3.981  1.9639  0.0814  1.5503
+ 1786SOL    HW2 6931   1.554   2.374   3.919  0.2036 -0.1526 -0.1472
+ 1787SOL     OW 6932   2.019   4.591   5.119 -0.4683 -0.0673 -0.0685
+ 1787SOL    HW1 6933   2.053   4.551   5.039  1.1613  0.5984  0.2605
+ 1787SOL    HW2 6934   1.978   4.672   5.089  0.3377  0.2935 -0.2230
+ 1788SOL     OW 6935   0.380   2.708   3.782 -0.0784  0.3954  0.6924
+ 1788SOL    HW1 6936   0.365   2.774   3.850 -1.0217 -0.5582  1.4396
+ 1788SOL    HW2 6937   0.297   2.661   3.776  0.1607  0.1430 -0.7797
+ 1789SOL     OW 6938   1.051   4.502   4.495  0.1293 -0.4545 -0.2134
+ 1789SOL    HW1 6939   0.956   4.508   4.501  0.1739 -1.3210  1.6098
+ 1789SOL    HW2 6940   1.080   4.592   4.480 -0.9307 -0.0894 -0.1074
+ 1790SOL     OW 6941   2.838   5.019   5.317 -0.0199 -0.0018  0.3273
+ 1790SOL    HW1 6942   2.796   5.024   5.231  0.4211  1.6369  0.1946
+ 1790SOL    HW2 6943   2.844   5.110   5.346  1.0195 -0.4426  1.5247
+ 1791SOL     OW 6944   1.192   0.411   5.304  0.1188  0.4600  0.1759
+ 1791SOL    HW1 6945   1.214   0.320   5.319  0.1156  0.5858  0.9582
+ 1791SOL    HW2 6946   1.199   0.422   5.209 -0.2601 -0.4448  0.0368
+ 1792SOL     OW 6947   0.269   4.483   6.443 -0.0466 -0.0873  0.2246
+ 1792SOL    HW1 6948   0.328   4.520   6.377  1.4718  0.1946  1.7181
+ 1792SOL    HW2 6949   0.182   4.490   6.403  0.6162  1.8965 -0.9466
+ 1793SOL     OW 6950   2.029   5.042   6.275  0.3215 -0.4695  0.1491
+ 1793SOL    HW1 6951   2.036   5.006   6.364  2.2525  0.6466  0.4691
+ 1793SOL    HW2 6952   1.949   5.095   6.278 -0.0566 -1.0681  0.9883
+ 1794SOL     OW 6953   0.540   3.929   3.410  0.0924  0.0032  0.1286
+ 1794SOL    HW1 6954   0.623   3.976   3.409  0.3592 -0.4821 -0.5343
+ 1794SOL    HW2 6955   0.539   3.878   3.329 -0.1676 -1.1764  0.8580
+ 1795SOL     OW 6956   7.150   3.282   3.948 -0.6771 -0.0299 -0.2122
+ 1795SOL    HW1 6957   7.182   3.320   3.866 -1.3469  0.6139 -0.1828
+ 1795SOL    HW2 6958   7.171   3.348   4.015  1.2227 -1.1997  0.3889
+ 1796SOL     OW 6959   0.714   2.071   4.275 -0.1310 -0.3908  0.1911
+ 1796SOL    HW1 6960   0.764   2.090   4.195 -0.6068  0.7884  0.1546
+ 1796SOL    HW2 6961   0.774   2.022   4.331  0.9384  0.6967  0.0062
+ 1797SOL     OW 6962   1.626   3.251   6.243  0.1099  0.3657  0.4358
+ 1797SOL    HW1 6963   1.604   3.207   6.161  1.3849  0.7959 -0.1548
+ 1797SOL    HW2 6964   1.631   3.344   6.220  1.9316  0.3428  0.6601
+ 1798SOL     OW 6965   3.118   1.787   4.528 -0.2302  0.6046 -0.5553
+ 1798SOL    HW1 6966   3.055   1.750   4.590  1.4223  0.1585  0.8902
+ 1798SOL    HW2 6967   3.118   1.881   4.545 -0.0747  0.5301 -0.1492
+ 1799SOL     OW 6968   7.273   2.431   4.563 -0.6938  0.3008  0.7075
+ 1799SOL    HW1 6969   7.294   2.524   4.555 -2.1497  0.5529 -0.7129
+ 1799SOL    HW2 6970   7.242   2.407   4.475 -1.5246 -1.2003  1.3961
+ 1800SOL     OW 6971   0.288   3.472   3.970 -0.2157  0.2900 -0.7604
+ 1800SOL    HW1 6972   0.341   3.503   3.897 -0.5722 -0.6985 -1.4502
+ 1800SOL    HW2 6973   0.198   3.476   3.938 -0.5356  1.4732  0.2259
+ 1801SOL     OW 6974   1.475   1.920   2.657 -0.1033  0.3550  0.8558
+ 1801SOL    HW1 6975   1.446   1.927   2.566 -0.9433 -0.4240  1.0497
+ 1801SOL    HW2 6976   1.549   1.980   2.663  1.1208 -0.9334 -0.8013
+ 1802SOL     OW 6977   1.022   2.715   4.152 -0.2786 -0.1529  0.3108
+ 1802SOL    HW1 6978   1.028   2.629   4.110  0.4452 -0.3268  0.7722
+ 1802SOL    HW2 6979   1.037   2.777   4.081 -0.0620 -0.4190  0.1224
+ 1803SOL     OW 6980   1.154   1.903   5.925  0.2509  0.1525  0.0969
+ 1803SOL    HW1 6981   1.178   1.811   5.912 -0.4951  0.2706 -2.3158
+ 1803SOL    HW2 6982   1.171   1.944   5.841  0.5778  2.2495  1.1655
+ 1804SOL     OW 6983   7.957   4.466   5.622  0.7765  0.0306 -0.4606
+ 1804SOL    HW1 6984   7.898   4.517   5.566  0.3972  1.8678  1.5019
+ 1804SOL    HW2 6985   7.925   4.376   5.616 -0.6293  0.5754 -1.4391
+ 1805SOL     OW 6986   2.186   2.165   5.200 -0.1574 -0.4377  0.1708
+ 1805SOL    HW1 6987   2.138   2.234   5.245 -1.4634  0.2419 -2.1451
+ 1805SOL    HW2 6988   2.154   2.084   5.238 -2.0765  0.0759 -0.2655
+ 1806SOL     OW 6989   2.728   1.054   4.940 -0.1900 -0.3950  0.5992
+ 1806SOL    HW1 6990   2.756   1.142   4.965  1.1280 -0.7465  0.4046
+ 1806SOL    HW2 6991   2.707   1.061   4.847 -3.2440  0.4660  1.3249
+ 1807SOL     OW 6992   7.668   4.534   2.691  0.2989  0.6060 -0.5033
+ 1807SOL    HW1 6993   7.747   4.535   2.744 -0.6935  2.2943  1.0011
+ 1807SOL    HW2 6994   7.654   4.626   2.667 -1.0377  0.2904 -0.9950
+ 1808SOL     OW 6995   0.920   1.796   4.394 -0.1783 -0.1256 -0.1072
+ 1808SOL    HW1 6996   0.987   1.736   4.425  1.6162  0.9178 -1.8235
+ 1808SOL    HW2 6997   0.837   1.757   4.422  1.1251 -1.5986  1.7709
+ 1809SOL     OW 6998   7.653   3.159   3.545 -0.3906 -0.3073  0.0702
+ 1809SOL    HW1 6999   7.586   3.173   3.478 -0.6917 -0.9288  0.2372
+ 1809SOL    HW2 7000   7.716   3.229   3.531  0.4961 -1.4871 -2.0038
+ 1810SOL     OW 7001   1.363   2.912   5.690  0.6765 -0.3226  0.0563
+ 1810SOL    HW1 7002   1.341   3.001   5.662  0.1711 -0.3630  0.3110
+ 1810SOL    HW2 7003   1.408   2.873   5.615 -0.9945 -0.5596 -0.8556
+ 1811SOL     OW 7004   1.723   1.809   3.697  0.6520  0.4577  0.4137
+ 1811SOL    HW1 7005   1.648   1.858   3.730 -0.0769 -0.6279  0.3785
+ 1811SOL    HW2 7006   1.711   1.720   3.732  1.8138  0.2295  0.2568
+ 1812SOL     OW 7007   0.215   2.816   3.034  0.1703 -0.4053 -0.1230
+ 1812SOL    HW1 7008   0.127   2.835   3.063  0.5804  0.6921  0.4123
+ 1812SOL    HW2 7009   0.234   2.729   3.070 -2.0342 -2.3555 -3.3451
+ 1813SOL     OW 7010   7.969   4.299   4.458  0.0682  0.2008 -0.0426
+ 1813SOL    HW1 7011   7.984   4.207   4.440 -0.7007 -0.2404  1.5311
+ 1813SOL    HW2 7012   8.004   4.313   4.546 -1.6153  0.9303  0.5420
+ 1814SOL     OW 7013   0.829   2.108   4.860  0.1980  0.2302 -0.1007
+ 1814SOL    HW1 7014   0.812   2.063   4.942 -0.4070  0.1142 -0.2894
+ 1814SOL    HW2 7015   0.881   2.046   4.809 -1.9179 -0.8798 -0.9652
+ 1815SOL     OW 7016   0.889   3.609   3.020 -0.1763  0.0625  0.1099
+ 1815SOL    HW1 7017   0.852   3.662   3.091 -0.6250 -1.3735  0.9559
+ 1815SOL    HW2 7018   0.969   3.572   3.057  0.5370  0.7234 -0.7296
+ 1816SOL     OW 7019   7.329   2.729   4.557 -0.1816  0.2391  0.3950
+ 1816SOL    HW1 7020   7.374   2.716   4.474 -0.5688 -0.7101  0.3251
+ 1816SOL    HW2 7021   7.321   2.824   4.566  0.5883  0.3668 -0.2542
+ 1817SOL     OW 7022   0.442   3.227   5.032  0.3373  0.5288 -0.1709
+ 1817SOL    HW1 7023   0.439   3.142   5.076 -3.9679  0.2329 -0.8185
+ 1817SOL    HW2 7024   0.425   3.290   5.102 -0.9338  0.4930 -0.4420
+ 1818SOL     OW 7025   0.595   2.868   4.250  0.8466 -0.1307  0.5789
+ 1818SOL    HW1 7026   0.509   2.899   4.221 -0.4620 -2.4948  1.7898
+ 1818SOL    HW2 7027   0.624   2.933   4.314 -0.7269 -0.1208  1.2875
+ 1819SOL     OW 7028   1.642   5.566   6.532 -0.3766  0.0635 -0.2920
+ 1819SOL    HW1 7029   1.616   5.588   6.442 -0.1655  0.3486 -0.2856
+ 1819SOL    HW2 7030   1.572   5.511   6.565  0.2328 -1.2326 -1.1249
+ 1820SOL     OW 7031   7.287   2.154   4.030  0.2545 -0.2951 -0.2678
+ 1820SOL    HW1 7032   7.195   2.163   4.055  0.6324 -0.1766  1.1389
+ 1820SOL    HW2 7033   7.311   2.239   3.991 -0.1207 -0.1832 -0.2501
+ 1821SOL     OW 7034   1.791   3.078   5.199  0.6702 -0.2346 -0.1105
+ 1821SOL    HW1 7035   1.720   3.070   5.136  0.6041  2.2058 -0.3932
+ 1821SOL    HW2 7036   1.871   3.073   5.146  0.6527  0.1386 -0.1690
+ 1822SOL     OW 7037   2.756   1.983   3.320 -0.2310 -0.5134  0.0499
+ 1822SOL    HW1 7038   2.697   2.058   3.325 -0.7303 -0.9808  1.2938
+ 1822SOL    HW2 7039   2.704   1.914   3.278 -0.1504 -0.5366 -0.0134
+ 1823SOL     OW 7040   2.088   2.497   3.634  0.2059  0.4190 -0.2208
+ 1823SOL    HW1 7041   2.010   2.499   3.579 -0.0772  0.1292  0.1663
+ 1823SOL    HW2 7042   2.063   2.544   3.714  0.4377  0.3465 -0.1035
+ 1824SOL     OW 7043   1.362   3.265   5.272  0.3975  0.7423 -0.1197
+ 1824SOL    HW1 7044   1.447   3.255   5.228  0.5138  1.9965 -0.1963
+ 1824SOL    HW2 7045   1.300   3.219   5.215  0.7684  1.1991 -0.8963
+ 1825SOL     OW 7046   0.931   4.632   3.401  0.0222  0.3404  0.6871
+ 1825SOL    HW1 7047   1.009   4.596   3.443 -1.1917 -1.1764  1.7056
+ 1825SOL    HW2 7048   0.889   4.685   3.468 -0.4773  0.1162  0.5638
+ 1826SOL     OW 7049   0.165   3.986   5.152  0.0323  0.6200 -0.0496
+ 1826SOL    HW1 7050   0.211   3.924   5.095 -1.3361 -1.0129  0.5803
+ 1826SOL    HW2 7051   0.124   4.048   5.091  0.5152  0.2637 -0.7405
+ 1827SOL     OW 7052   0.681   3.201   5.232 -0.2942 -0.7732 -0.0609
+ 1827SOL    HW1 7053   0.607   3.255   5.205  0.2836 -0.0731 -0.2437
+ 1827SOL    HW2 7054   0.650   3.111   5.222 -0.2182 -0.5376 -2.6999
+ 1828SOL     OW 7055   2.257   5.035   5.840  0.0648 -0.4582  0.1645
+ 1828SOL    HW1 7056   2.229   4.950   5.807 -1.4449  0.0749  0.0514
+ 1828SOL    HW2 7057   2.201   5.098   5.795  2.1151  0.7050 -0.8176
+ 1829SOL     OW 7058   7.848   2.453   2.210  0.2917  0.5671  0.0692
+ 1829SOL    HW1 7059   7.905   2.390   2.253 -1.2693 -0.0750  1.2443
+ 1829SOL    HW2 7060   7.771   2.458   2.265 -0.9088  1.2574 -1.6079
+ 1830SOL     OW 7061   2.846   2.247   4.333  0.3310 -1.3843 -0.7051
+ 1830SOL    HW1 7062   2.788   2.171   4.330 -1.3263 -0.1808  0.0662
+ 1830SOL    HW2 7063   2.867   2.258   4.426 -1.0388  0.2488 -0.5591
+ 1831SOL     OW 7064   0.586   4.418   5.593  0.0760 -0.1522  0.0340
+ 1831SOL    HW1 7065   0.627   4.373   5.519  0.2072 -0.0315  0.0321
+ 1831SOL    HW2 7066   0.638   4.498   5.604 -0.2148  0.0471 -0.0279
+ 1832SOL     OW 7067   1.731   2.877   3.204 -0.3282 -0.1311 -0.3105
+ 1832SOL    HW1 7068   1.736   2.784   3.228 -1.1602  0.0340  0.5498
+ 1832SOL    HW2 7069   1.818   2.898   3.170  0.3864 -0.8163  1.0514
+ 1833SOL     OW 7070   1.291   4.868   4.377  0.1086  0.3903 -0.2708
+ 1833SOL    HW1 7071   1.382   4.842   4.384  0.0591  0.0419 -0.8907
+ 1833SOL    HW2 7072   1.241   4.787   4.385 -0.0734  0.3659 -1.5589
+ 1834SOL     OW 7073   2.272   0.639   5.426  0.1064 -0.6161 -0.1029
+ 1834SOL    HW1 7074   2.197   0.694   5.402  0.0817  0.0384  1.4162
+ 1834SOL    HW2 7075   2.347   0.697   5.420  0.0573 -0.3249  1.7036
+ 1835SOL     OW 7076   7.244   0.711   4.849  0.1698  0.3976 -0.2573
+ 1835SOL    HW1 7077   7.220   0.622   4.872 -1.4405  1.2206  1.3668
+ 1835SOL    HW2 7078   7.218   0.720   4.757 -2.9819  0.2808  0.5796
+ 1836SOL     OW 7079   0.162   3.959   4.130  0.5104 -0.1592  0.2288
+ 1836SOL    HW1 7080   0.187   3.870   4.107  0.2665  0.0582 -0.9151
+ 1836SOL    HW2 7081   0.244   4.009   4.128  0.8279 -0.5935  2.0382
+ 1837SOL     OW 7082   0.578   1.131   6.336  0.1344 -0.2148 -0.2877
+ 1837SOL    HW1 7083   0.532   1.124   6.419 -0.8755 -0.9474 -0.8951
+ 1837SOL    HW2 7084   0.528   1.194   6.285  0.4802 -0.1247 -0.5212
+ 1838SOL     OW 7085   2.466   4.005   4.003 -0.6387 -0.2267  0.2736
+ 1838SOL    HW1 7086   2.539   4.010   3.941  0.2641  1.2819  1.4325
+ 1838SOL    HW2 7087   2.391   4.038   3.954 -0.6488 -2.0633 -1.0242
+ 1839SOL     OW 7088   1.568   2.166   4.157  0.1920 -0.5809 -0.0974
+ 1839SOL    HW1 7089   1.510   2.234   4.123 -1.6703 -0.8181  2.4853
+ 1839SOL    HW2 7090   1.646   2.214   4.185 -0.6555  0.3676  0.6767
+ 1840SOL     OW 7091   1.567   1.828   4.226  0.6156  0.2858  0.0189
+ 1840SOL    HW1 7092   1.562   1.923   4.230  3.1213  0.5857 -2.7381
+ 1840SOL    HW2 7093   1.495   1.803   4.168  2.1175  0.8032 -2.0898
+ 1841SOL     OW 7094   0.753   3.796   3.725 -0.0202 -0.0932  0.5129
+ 1841SOL    HW1 7095   0.803   3.857   3.670  0.7118 -0.1435  1.1095
+ 1841SOL    HW2 7096   0.668   3.838   3.736  0.6412  1.0509  1.3086
+ 1842SOL     OW 7097   1.620   3.485   5.171  0.5132 -0.0971  0.4477
+ 1842SOL    HW1 7098   1.586   3.460   5.086 -1.0971  1.1634  0.6908
+ 1842SOL    HW2 7099   1.664   3.569   5.156  0.8155 -0.1967  0.7419
+ 1843SOL     OW 7100   1.704   2.838   5.638  0.3146 -0.2884  0.3428
+ 1843SOL    HW1 7101   1.728   2.914   5.584 -0.9121  0.8199  1.3152
+ 1843SOL    HW2 7102   1.614   2.819   5.614  0.2589 -0.7332  0.8962
+ 1844SOL     OW 7103   7.976   2.239   4.735 -0.1590  0.6526  0.1106
+ 1844SOL    HW1 7104   7.954   2.252   4.828 -4.5620 -2.3058 -0.3888
+ 1844SOL    HW2 7105   7.896   2.261   4.688  1.4726  0.3970 -2.8717
+ 1845SOL     OW 7106   4.379   2.161   3.685  0.3878 -0.0157 -0.2421
+ 1845SOL    HW1 7107   4.296   2.208   3.680 -0.0580 -0.6820  0.9215
+ 1845SOL    HW2 7108   4.437   2.220   3.733  0.0487 -0.3306  0.5579
+ 1846SOL     OW 7109   7.909   3.235   2.952  0.1224 -0.3216  0.4436
+ 1846SOL    HW1 7110   7.983   3.290   2.929  0.1154 -0.4394  0.1454
+ 1846SOL    HW2 7111   7.940   3.145   2.938 -0.1775 -0.3594  0.0313
+ 1847SOL     OW 7112   1.686   2.955   4.243 -0.5914  0.0371 -0.0269
+ 1847SOL    HW1 7113   1.622   3.021   4.216 -0.6455 -0.6040 -1.5439
+ 1847SOL    HW2 7114   1.633   2.886   4.284 -0.9787 -0.8187 -1.9167
+ 1848SOL     OW 7115   7.976   0.543   5.340 -0.7286 -0.3609 -0.9201
+ 1848SOL    HW1 7116   7.982   0.545   5.244  0.1677 -0.4898 -0.8743
+ 1848SOL    HW2 7117   8.058   0.502   5.368 -1.4960 -1.3798 -0.1443
+ 1849SOL     OW 7118   7.437   3.008   5.932 -0.4703  0.2419  0.1742
+ 1849SOL    HW1 7119   7.512   2.965   5.892 -1.3247 -0.3439 -0.8100
+ 1849SOL    HW2 7120   7.474   3.085   5.976  0.9598 -1.0638  1.3073
+ 1850SOL     OW 7121   0.105   2.238   6.771  0.0208  0.4445 -0.7107
+ 1850SOL    HW1 7122   0.135   2.233   6.862 -1.7644 -0.4034 -0.1528
+ 1850SOL    HW2 7123   0.148   2.316   6.736  0.7378  0.7625  0.8581
+ 1851SOL     OW 7124   1.963   3.180   6.924  0.2444 -0.5298 -0.0803
+ 1851SOL    HW1 7125   1.999   3.263   6.954  0.2056 -0.7873  0.6787
+ 1851SOL    HW2 7126   1.913   3.203   6.845  2.2465 -0.2076 -1.3016
+ 1852SOL     OW 7127   2.113   6.458   7.235 -0.1104  0.3047  0.2399
+ 1852SOL    HW1 7128   2.030   6.426   7.268  0.8684 -2.6463 -0.0558
+ 1852SOL    HW2 7129   2.176   6.390   7.258  1.1104 -0.6779 -5.3103
+ 1853SOL     OW 7130   2.778   2.245   6.551  0.3826 -0.4928  0.2372
+ 1853SOL    HW1 7131   2.716   2.172   6.542  0.2624 -0.4385  0.6332
+ 1853SOL    HW2 7132   2.722   2.323   6.551  0.5032 -0.4060 -0.0784
+ 1854SOL     OW 7133   1.774   3.181   6.452 -0.0762  0.4107  0.1608
+ 1854SOL    HW1 7134   1.716   3.181   6.376  0.2792 -0.3673 -0.1116
+ 1854SOL    HW2 7135   1.766   3.270   6.488  0.6085  1.1310 -1.4244
+ 1855SOL     OW 7136   1.951   3.018   6.605  0.3842  0.4354  0.3910
+ 1855SOL    HW1 7137   1.896   3.066   6.543  1.2980 -0.4449 -1.1302
+ 1855SOL    HW2 7138   1.923   2.927   6.596  0.6122  0.2840  1.1855
+ 1856SOL     OW 7139   0.036   2.416   0.030  0.1026 -0.3242 -0.2626
+ 1856SOL    HW1 7140   0.041   2.354  -0.043 -0.5155 -2.2656  1.2779
+ 1856SOL    HW2 7141  -0.056   2.442   0.033  0.0983 -0.3572 -0.1003
+ 1857SOL     OW 7142   0.194   2.483   7.441 -0.0388  0.4701 -0.2431
+ 1857SOL    HW1 7143   0.115   2.468   7.389 -1.4710  2.4836  1.2922
+ 1857SOL    HW2 7144   0.237   2.558   7.400 -1.5495  2.5305  1.8053
+ 1858SOL     OW 7145   1.545   4.319   7.511 -0.1202  0.5579  0.4029
+ 1858SOL    HW1 7146   1.467   4.290   7.558  0.8364 -1.0314  1.0878
+ 1858SOL    HW2 7147   1.518   4.398   7.464 -2.3064 -0.3396  0.0923
+ 1859SOL     OW 7148   7.663   3.063   5.398  0.0506  0.2390 -0.0236
+ 1859SOL    HW1 7149   7.634   2.999   5.463  1.8498 -0.7139 -0.1291
+ 1859SOL    HW2 7150   7.695   3.137   5.450  1.0010 -0.3050  0.1721
+ 1860SOL     OW 7151   3.305   3.947   0.786  0.2765 -0.4993 -0.1474
+ 1860SOL    HW1 7152   3.252   4.012   0.739  0.8254  0.0828  0.0363
+ 1860SOL    HW2 7153   3.242   3.895   0.835 -0.0576  0.7287  0.7293
+ 1861SOL     OW 7154   0.208   1.029   7.383  0.0504  0.4678 -0.3264
+ 1861SOL    HW1 7155   0.238   1.118   7.363  0.8493  0.0305 -1.1012
+ 1861SOL    HW2 7156   0.253   1.007   7.464 -0.4201  0.9002  0.0561
+ 1862SOL     OW 7157   2.606   2.800   7.261 -0.1201  0.1262  0.1629
+ 1862SOL    HW1 7158   2.612   2.827   7.353  0.2045  2.4592 -0.5377
+ 1862SOL    HW2 7159   2.680   2.739   7.250  0.5239  0.7142  1.1379
+ 1863SOL     OW 7160   0.059   4.385   6.688 -0.0098 -0.0602  0.1618
+ 1863SOL    HW1 7161   0.027   4.300   6.659  0.6888 -0.0932 -0.5091
+ 1863SOL    HW2 7162   0.147   4.392   6.652 -0.3168  1.2338 -0.3719
+ 1864SOL     OW 7163   0.260   2.601   6.377  0.6542  0.3298  0.5596
+ 1864SOL    HW1 7164   0.276   2.638   6.464  2.3692  1.6950 -0.2885
+ 1864SOL    HW2 7165   0.170   2.624   6.357  0.1473 -0.2623  2.0897
+ 1865SOL     OW 7166   7.782   0.467   7.687  0.3106 -0.6790  0.2820
+ 1865SOL    HW1 7167   7.831   0.414   7.750  1.8824  1.4428  0.9020
+ 1865SOL    HW2 7168   7.823   0.553   7.691 -0.5138 -0.1102 -2.6248
+ 1866SOL     OW 7169   0.269   2.587   7.180  0.7707 -0.0504  0.1367
+ 1866SOL    HW1 7170   0.330   2.660   7.188  0.4979  0.3499 -1.2124
+ 1866SOL    HW2 7171   0.182   2.629   7.179  0.5660 -0.4694  0.2962
+ 1867SOL     OW 7172   2.350   3.097   6.471 -0.2232  0.1968  0.1559
+ 1867SOL    HW1 7173   2.312   3.170   6.520 -0.2464 -0.4815  1.1456
+ 1867SOL    HW2 7174   2.277   3.062   6.420 -0.0333  1.3666 -0.9506
+ 1868SOL     OW 7175   1.492   2.743   5.507  0.2013 -0.1383  0.1135
+ 1868SOL    HW1 7176   1.433   2.675   5.474 -2.4505  1.6269  0.9952
+ 1868SOL    HW2 7177   1.559   2.752   5.439 -0.4405 -2.3365 -0.8501
+ 1869SOL     OW 7178   1.343   2.198   7.242 -0.2071  0.2234  0.3007
+ 1869SOL    HW1 7179   1.248   2.209   7.230 -0.2661  0.1177  0.6750
+ 1869SOL    HW2 7180   1.351   2.149   7.323  0.3018  3.2370  2.1395
+ 1870SOL     OW 7181   0.829   2.705   7.043 -0.5203  0.1382  0.1574
+ 1870SOL    HW1 7182   0.796   2.764   6.976  1.8339  1.0095 -0.2625
+ 1870SOL    HW2 7183   0.784   2.733   7.123  0.9118  2.8166  0.0692
+ 1871SOL     OW 7184   3.319   5.077   6.905  0.3626 -0.2579 -0.0857
+ 1871SOL    HW1 7185   3.371   5.135   6.849 -0.4268 -1.1653 -1.8162
+ 1871SOL    HW2 7186   3.232   5.077   6.865 -0.1553 -1.1204  1.0130
+ 1872SOL     OW 7187   1.092   4.906   5.213  0.7206 -0.3309  0.1697
+ 1872SOL    HW1 7188   1.119   4.818   5.240  0.8803 -0.0410  0.9622
+ 1872SOL    HW2 7189   1.172   4.944   5.175 -0.1300 -1.6447 -3.1307
+ 1873SOL     OW 7190   1.816   0.819   6.379  0.0415 -0.5548 -0.0688
+ 1873SOL    HW1 7191   1.798   0.809   6.285 -0.9165  0.3097  0.0116
+ 1873SOL    HW2 7192   1.879   0.891   6.383  0.4816 -0.9343 -0.0757
+ 1874SOL     OW 7193   0.794   2.857   6.815  0.2789  0.1135 -0.0440
+ 1874SOL    HW1 7194   0.854   2.898   6.753  0.0699 -0.0279 -0.3379
+ 1874SOL    HW2 7195   0.731   2.926   6.836 -0.7631 -0.4160 -1.4385
+ 1875SOL     OW 7196   3.039   2.260   6.476  0.0555 -0.1737  0.0385
+ 1875SOL    HW1 7197   2.960   2.305   6.505  0.5883  1.1037 -0.4644
+ 1875SOL    HW2 7198   3.061   2.301   6.393 -0.0958 -2.1696 -1.0308
+ 1876SOL     OW 7199   2.121   3.041   6.327  0.0903  0.1209  0.5618
+ 1876SOL    HW1 7200   2.063   3.101   6.280  0.9045  1.1993  0.9175
+ 1876SOL    HW2 7201   2.117   2.960   6.277  0.9939  1.2592 -1.4108
+ 1877SOL     OW 7202   1.260   4.735   7.254  0.2317 -0.2472 -0.1949
+ 1877SOL    HW1 7203   1.290   4.826   7.246  0.1799 -0.3311 -1.4542
+ 1877SOL    HW2 7204   1.164   4.741   7.249  0.1624 -0.2430  1.0819
+ 1878SOL     OW 7205   0.407   1.721   6.848  0.6369  0.3506 -0.2036
+ 1878SOL    HW1 7206   0.334   1.690   6.793  0.9013  0.7628 -0.7880
+ 1878SOL    HW2 7207   0.394   1.676   6.932 -1.8810  2.5075  0.6147
+ 1879SOL     OW 7208   1.197   2.614   6.707  0.6694 -0.4824  0.3198
+ 1879SOL    HW1 7209   1.243   2.532   6.691  1.3292 -0.2202  0.8690
+ 1879SOL    HW2 7210   1.134   2.593   6.776  1.2186 -0.3882  0.8467
+ 1880SOL     OW 7211   1.205   3.601   6.194 -0.4477  0.1706 -0.7712
+ 1880SOL    HW1 7212   1.133   3.624   6.253  1.8952 -1.3779  2.8292
+ 1880SOL    HW2 7213   1.162   3.586   6.109 -4.1598  0.7264  0.9045
+ 1881SOL     OW 7214   0.431   4.746   7.088  0.3018  0.1289  0.0809
+ 1881SOL    HW1 7215   0.442   4.668   7.142  0.1631 -0.1965 -0.3631
+ 1881SOL    HW2 7216   0.504   4.743   7.027 -0.8549 -0.7493 -1.2874
+ 1882SOL     OW 7217   7.166   2.891   0.874 -0.1736  0.7021 -0.2210
+ 1882SOL    HW1 7218   7.114   2.863   0.798 -0.5082 -0.0664  0.2941
+ 1882SOL    HW2 7219   7.256   2.894   0.841 -0.1258 -1.0151 -0.2728
+ 1883SOL     OW 7220   1.100   2.491   5.216 -0.2969 -0.0567  1.2371
+ 1883SOL    HW1 7221   1.031   2.501   5.151 -0.6118 -0.7618  1.4531
+ 1883SOL    HW2 7222   1.134   2.403   5.202 -0.0731 -0.0533  1.7400
+ 1884SOL     OW 7223   1.944   1.706   4.805  0.9855 -0.0598 -0.5081
+ 1884SOL    HW1 7224   1.925   1.793   4.842 -0.4852 -0.3101 -0.6799
+ 1884SOL    HW2 7225   1.998   1.663   4.872  0.1376  0.2828  0.3972
+ 1885SOL     OW 7226   0.718   3.716   5.105 -0.1800 -0.1248 -0.0423
+ 1885SOL    HW1 7227   0.757   3.802   5.125 -0.2965  0.0776 -0.6760
+ 1885SOL    HW2 7228   0.780   3.675   5.045 -0.8842  0.1608 -0.9797
+ 1886SOL     OW 7229   0.715   2.977   6.364  0.3358 -0.2419 -0.0431
+ 1886SOL    HW1 7230   0.623   3.001   6.376  0.0892 -0.9725 -0.4122
+ 1886SOL    HW2 7231   0.720   2.948   6.273  1.2144  1.0078 -0.3931
+ 1887SOL     OW 7232   0.091   4.235   4.718 -0.0004  0.2603 -0.3357
+ 1887SOL    HW1 7233   0.043   4.255   4.798 -1.4376 -0.8254 -0.9129
+ 1887SOL    HW2 7234   0.179   4.211   4.748 -0.0401  1.4761  0.7840
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+ 1888SOL    HW1 7236   1.214   1.007   6.048  0.1054  0.2764 -1.1699
+ 1888SOL    HW2 7237   1.215   0.860   6.010  0.3986  0.0041 -0.1446
+ 1889SOL     OW 7238   1.539   2.752   7.030 -0.3465 -0.7615 -0.4283
+ 1889SOL    HW1 7239   1.455   2.767   6.985 -0.2608  0.2008 -0.2923
+ 1889SOL    HW2 7240   1.595   2.824   7.001 -0.3031 -0.0962  1.2286
+ 1890SOL     OW 7241   2.159   5.591   0.929 -0.1368  0.5095 -0.1664
+ 1890SOL    HW1 7242   2.191   5.681   0.939  1.4192  0.0096 -0.5630
+ 1890SOL    HW2 7243   2.124   5.568   1.016 -0.9042  1.6168 -0.1662
+ 1891SOL     OW 7244   2.343   2.209   4.328 -0.3936  0.1248  0.4622
+ 1891SOL    HW1 7245   2.290   2.229   4.405 -0.1281  0.7092  0.4972
+ 1891SOL    HW2 7246   2.409   2.278   4.327 -1.6972  1.3794 -1.5179
+ 1892SOL     OW 7247   0.668   2.015   7.586  0.1865  0.0370 -0.4511
+ 1892SOL    HW1 7248   0.706   2.038   7.501 -0.5877  0.3028 -0.7275
+ 1892SOL    HW2 7249   0.577   1.993   7.567 -0.3317  1.3160  0.4946
+ 1893SOL     OW 7250   7.712   3.259   6.256  0.2599  0.1251 -0.5522
+ 1893SOL    HW1 7251   7.741   3.179   6.212  0.7253 -0.3370  0.5608
+ 1893SOL    HW2 7252   7.736   3.246   6.348 -2.1954  0.3475  0.1685
+ 1894SOL     OW 7253   1.960   4.088   6.925  0.0202  0.1042 -0.0555
+ 1894SOL    HW1 7254   1.902   4.070   6.999  1.0507 -0.2172  0.6965
+ 1894SOL    HW2 7255   2.042   4.044   6.948  0.0863 -0.7007 -1.7963
+ 1895SOL     OW 7256   1.917   2.870   5.893 -0.1257  0.1943  0.3124
+ 1895SOL    HW1 7257   1.855   2.895   5.825 -0.2576  1.6212  0.9375
+ 1895SOL    HW2 7258   1.872   2.888   5.975  0.0641 -1.4377  0.7927
+ 1896SOL     OW 7259   2.451   1.790   7.021 -0.4692 -0.3404  0.1823
+ 1896SOL    HW1 7260   2.366   1.784   7.066  0.4520 -1.4308  1.8437
+ 1896SOL    HW2 7261   2.458   1.708   6.971  0.5101 -1.2478  1.7533
+ 1897SOL     OW 7262   2.734   3.048   6.128  0.3060 -0.3329 -0.0928
+ 1897SOL    HW1 7263   2.666   3.054   6.195 -0.2397  2.7901 -0.8380
+ 1897SOL    HW2 7264   2.790   3.124   6.145  0.4532  0.2249 -2.8248
+ 1898SOL     OW 7265   1.367   3.224   6.519  0.5928 -0.0781  0.2791
+ 1898SOL    HW1 7266   1.443   3.283   6.516 -0.4249  1.3009  0.7851
+ 1898SOL    HW2 7267   1.343   3.222   6.612 -0.0417 -0.4338  0.1087
+ 1899SOL     OW 7268   2.004   2.466   7.904 -0.1150 -0.0175  0.1888
+ 1899SOL    HW1 7269   1.952   2.546   7.910 -1.2054 -0.8346  1.7029
+ 1899SOL    HW2 7270   2.048   2.474   7.819 -2.1306  1.0266 -0.8097
+ 1900SOL     OW 7271   0.319   5.084   5.144 -0.8999 -0.2846 -0.1146
+ 1900SOL    HW1 7272   0.380   5.014   5.121 -0.7209 -0.0622 -0.3274
+ 1900SOL    HW2 7273   0.306   5.075   5.238 -0.6080 -0.3890 -0.0828
+ 1901SOL     OW 7274   1.713   2.871   7.586  0.3382  0.2480 -0.2030
+ 1901SOL    HW1 7275   1.787   2.906   7.535  0.6097  1.6877  1.1529
+ 1901SOL    HW2 7276   1.646   2.853   7.520  1.5781 -0.2723 -1.3563
+ 1902SOL     OW 7277   1.762   1.953   5.345 -0.0049  0.2855  0.0277
+ 1902SOL    HW1 7278   1.691   1.904   5.386 -1.1100  0.9631 -1.0338
+ 1902SOL    HW2 7279   1.744   2.045   5.367  3.0196  0.1833  3.5054
+ 1903SOL     OW 7280   1.678   2.209   5.355  0.3085 -0.8630  0.2185
+ 1903SOL    HW1 7281   1.637   2.280   5.306 -0.5764 -1.2106  0.4515
+ 1903SOL    HW2 7282   1.680   2.239   5.446  2.2552 -0.0777 -0.0522
+ 1904SOL     OW 7283   2.243   3.992   0.006  0.0028 -0.0367  0.4799
+ 1904SOL    HW1 7284   2.214   4.047   0.079 -0.1808  0.4229  0.0682
+ 1904SOL    HW2 7285   2.172   3.999  -0.058  0.1534 -0.4507  0.2694
+ 1905SOL     OW 7286   0.397   2.437   0.581  0.3534  0.9024  0.6841
+ 1905SOL    HW1 7287   0.335   2.398   0.643  0.6470 -0.0046  0.4301
+ 1905SOL    HW2 7288   0.480   2.392   0.599  0.4709  0.7293 -0.2546
+ 1906SOL     OW 7289   1.863   5.287   5.810  0.3644  0.2496 -0.0214
+ 1906SOL    HW1 7290   1.923   5.341   5.861  0.4862 -0.1111  0.2147
+ 1906SOL    HW2 7291   1.799   5.349   5.776  1.3584  0.7628 -0.9949
+ 1907SOL     OW 7292   7.858   3.905   5.856 -0.0752  0.0019 -0.0203
+ 1907SOL    HW1 7293   7.906   3.958   5.792 -3.0092  1.2453 -1.2863
+ 1907SOL    HW2 7294   7.792   3.965   5.892 -1.0170 -1.7678  1.2573
+ 1908SOL     OW 7295   1.297   3.584   6.599  0.7088 -0.1482 -0.5877
+ 1908SOL    HW1 7296   1.339   3.657   6.553  2.1450  1.5091  3.1585
+ 1908SOL    HW2 7297   1.204   3.604   6.597  0.9813  1.1256 -0.7016
+ 1909SOL     OW 7298   7.404   2.670   5.591 -0.0807  0.2114 -0.2706
+ 1909SOL    HW1 7299   7.311   2.648   5.580  0.6389 -1.6748 -3.3092
+ 1909SOL    HW2 7300   7.449   2.586   5.581  2.0518  1.3624 -0.4988
+ 1910SOL     OW 7301   1.722   6.894   7.140 -0.1163  0.1616 -0.3795
+ 1910SOL    HW1 7302   1.722   6.970   7.083 -0.0096 -0.8090 -1.6962
+ 1910SOL    HW2 7303   1.741   6.929   7.227  1.0658  1.4929 -1.1509
+ 1911SOL     OW 7304   0.870   2.079   7.403 -0.0349 -0.4623 -0.1658
+ 1911SOL    HW1 7305   0.912   1.999   7.370  1.9514  0.7881 -0.8009
+ 1911SOL    HW2 7306   0.922   2.102   7.480 -1.4723 -0.5376  0.8342
+ 1912SOL     OW 7307   1.705   3.012   5.432  0.2144  0.2960  0.9783
+ 1912SOL    HW1 7308   1.749   3.046   5.354  1.6940 -1.1270  1.1576
+ 1912SOL    HW2 7309   1.688   3.090   5.485 -0.8167  1.2688 -0.7569
+ 1913SOL     OW 7310   1.931   3.152   0.057 -0.0861 -0.4817 -0.2766
+ 1913SOL    HW1 7311   1.916   3.180   0.147  0.9833  1.2609 -0.6310
+ 1913SOL    HW2 7312   1.882   3.069   0.050 -3.2608  1.2141  0.7785
+ 1914SOL     OW 7313   0.757   2.905   0.101  0.0180 -0.2646 -0.0068
+ 1914SOL    HW1 7314   0.678   2.865   0.136 -1.3683  1.6710 -0.8442
+ 1914SOL    HW2 7315   0.735   2.929   0.011  1.7410 -0.2130 -0.4472
+ 1915SOL     OW 7316   2.998   1.381   5.642  0.0576 -0.2046 -0.1088
+ 1915SOL    HW1 7317   2.993   1.328   5.562 -0.2165  0.3307 -0.4474
+ 1915SOL    HW2 7318   2.954   1.327   5.708 -2.4031  0.6167 -1.0050
+ 1916SOL     OW 7319   0.331   0.939   7.588 -0.0290  0.4823  0.0818
+ 1916SOL    HW1 7320   0.426   0.937   7.574 -0.1308 -0.1013 -0.5452
+ 1916SOL    HW2 7321   0.319   0.909   7.678  0.5233  2.6230  0.8857
+ 1917SOL     OW 7322   1.641   2.548   5.159  0.3499  0.1002 -0.8652
+ 1917SOL    HW1 7323   1.640   2.617   5.226  0.1300 -0.6681 -0.0793
+ 1917SOL    HW2 7324   1.731   2.550   5.125 -0.0778  1.8415 -1.9671
+ 1918SOL     OW 7325   1.614   3.237   1.186  0.3900  0.1923 -0.1115
+ 1918SOL    HW1 7326   1.604   3.317   1.239 -0.3782  1.3643 -1.9498
+ 1918SOL    HW2 7327   1.529   3.193   1.193  0.4371  0.1198 -0.0016
+ 1919SOL     OW 7328   0.525   3.307   5.906 -0.5555  0.7946  0.0744
+ 1919SOL    HW1 7329   0.577   3.238   5.865  0.4635  0.2744  2.1773
+ 1919SOL    HW2 7330   0.541   3.384   5.852  0.8002  0.1582 -0.4661
+ 1920SOL     OW 7331   1.494   2.076   5.650  0.5544  0.5854  0.2024
+ 1920SOL    HW1 7332   1.557   2.005   5.655  2.1952  2.0310  0.7028
+ 1920SOL    HW2 7333   1.433   2.050   5.581 -0.1917 -2.2962  1.8922
+ 1921SOL     OW 7334   0.528   2.088   6.008 -0.4432  0.1949  0.2451
+ 1921SOL    HW1 7335   0.483   2.157   6.057 -0.7708  1.0911 -1.3051
+ 1921SOL    HW2 7336   0.606   2.130   5.973 -0.2822 -0.4104 -0.1192
+ 1922SOL     OW 7337   7.769   3.208   4.962  0.0906 -0.4144 -0.1783
+ 1922SOL    HW1 7338   7.840   3.174   5.015 -0.1573 -1.5776 -0.5799
+ 1922SOL    HW2 7339   7.791   3.300   4.949  0.5652 -0.3232  1.2433
+ 1923SOL     OW 7340   6.828   2.224   6.215  0.4952 -0.0797 -0.4423
+ 1923SOL    HW1 7341   6.842   2.189   6.303  0.1732  0.2214 -0.2696
+ 1923SOL    HW2 7342   6.754   2.173   6.181  2.1049 -1.8253 -1.4389
+ 1924SOL     OW 7343   0.527   1.449   7.066  0.1422  0.4643  0.0083
+ 1924SOL    HW1 7344   0.531   1.426   6.973 -1.3690  1.8219 -0.4042
+ 1924SOL    HW2 7345   0.573   1.532   7.073  0.7603  0.0812  0.5823
+ 1925SOL     OW 7346   1.273   3.174   5.627 -0.1247 -0.4689 -0.4571
+ 1925SOL    HW1 7347   1.226   3.147   5.548 -0.0428  0.5618 -0.8735
+ 1925SOL    HW2 7348   1.359   3.200   5.595 -0.0416 -0.1861 -0.0091
+ 1926SOL     OW 7349   0.948   3.356   6.969 -0.2872  0.3519  0.2619
+ 1926SOL    HW1 7350   0.859   3.349   6.934  0.7892 -0.8248 -2.3528
+ 1926SOL    HW2 7351   1.003   3.376   6.893  1.7520  0.6638  1.7684
+ 1927SOL     OW 7352   7.811   2.525   4.836 -0.3034  0.0797 -0.7123
+ 1927SOL    HW1 7353   7.799   2.614   4.870 -2.8702  0.3013 -2.0049
+ 1927SOL    HW2 7354   7.781   2.468   4.906  0.3664  0.2930 -0.2584
+ 1928SOL     OW 7355   0.839   3.360   5.871  0.0820 -0.7594 -0.0228
+ 1928SOL    HW1 7356   0.892   3.386   5.796 -0.4518 -1.3943 -0.6249
+ 1928SOL    HW2 7357   0.808   3.443   5.908  1.2974 -0.3892  0.2117
+ 1929SOL     OW 7358   1.729   1.401   5.254  0.0179 -0.0511  0.1047
+ 1929SOL    HW1 7359   1.813   1.424   5.294  1.0055  1.2895 -2.6597
+ 1929SOL    HW2 7360   1.749   1.326   5.198 -0.6938  0.1049 -0.3672
+ 1930SOL     OW 7361   0.023   1.775   6.966 -0.5332  0.0558  0.0137
+ 1930SOL    HW1 7362   0.110   1.785   7.004 -1.2539  1.2074  1.4437
+ 1930SOL    HW2 7363  -0.005   1.864   6.944 -0.9936 -0.3908 -1.2544
+ 1931SOL     OW 7364   1.733   2.681   7.219  0.2037  0.4854  0.5864
+ 1931SOL    HW1 7365   1.672   2.721   7.158  0.1995  2.3764  1.7807
+ 1931SOL    HW2 7366   1.690   2.689   7.305  1.2785  0.1026  1.1711
+ 1932SOL     OW 7367   1.710   3.405   7.253 -0.3197 -0.0905 -0.0337
+ 1932SOL    HW1 7368   1.682   3.313   7.246  0.1079 -0.3410  1.2320
+ 1932SOL    HW2 7369   1.655   3.441   7.323 -1.4023  1.0036 -1.4190
+ 1933SOL     OW 7370   2.223   7.908   6.901  0.3463 -0.7608  0.0263
+ 1933SOL    HW1 7371   2.222   7.985   6.844  1.9986  1.3610  2.7315
+ 1933SOL    HW2 7372   2.141   7.913   6.950  0.7381 -0.3133  0.6561
+ 1934SOL     OW 7373   3.103   1.306   6.613 -0.1452  0.1426 -0.3732
+ 1934SOL    HW1 7374   3.122   1.400   6.615  1.0760 -0.1076  0.9684
+ 1934SOL    HW2 7375   3.128   1.275   6.701  0.0414 -1.5321 -1.0009
+ 1935SOL     OW 7376   2.253   2.188   7.976 -0.3009 -0.2046  0.3804
+ 1935SOL    HW1 7377   2.175   2.188   7.921  0.2848  0.9904 -0.4827
+ 1935SOL    HW2 7378   2.232   2.246   8.049 -0.1455  0.3261  0.0117
+ 1936SOL     OW 7379   2.272   1.889   5.235 -0.0725 -0.4402  0.4945
+ 1936SOL    HW1 7380   2.303   1.913   5.148  1.4418 -2.5870  0.4015
+ 1936SOL    HW2 7381   2.189   1.844   5.219  0.6111 -1.5714  0.0594
+ 1937SOL     OW 7382   0.271   4.484   6.112  0.3990 -0.4311 -0.0955
+ 1937SOL    HW1 7383   0.322   4.534   6.176 -0.4630  1.2179 -0.6791
+ 1937SOL    HW2 7384   0.335   4.458   6.046  0.8237  0.1128  0.0954
+ 1938SOL     OW 7385   2.197   2.007   4.181 -0.1550  0.1686  0.8053
+ 1938SOL    HW1 7386   2.238   2.059   4.251  1.2323  0.0558  0.0754
+ 1938SOL    HW2 7387   2.246   1.925   4.179 -0.8836 -0.2641  0.4094
+ 1939SOL     OW 7388   1.418   2.346   6.411  0.1479 -0.6870 -0.1431
+ 1939SOL    HW1 7389   1.363   2.420   6.383 -1.4468 -2.2170 -1.1546
+ 1939SOL    HW2 7390   1.386   2.326   6.499  1.1313  0.3227  0.4577
+ 1940SOL     OW 7391   0.758   1.709   6.935  0.4225  1.0814 -0.1870
+ 1940SOL    HW1 7392   0.735   1.739   7.023 -2.6960 -0.6365 -0.3532
+ 1940SOL    HW2 7393   0.849   1.678   6.944  0.1612  0.9049  2.4374
+ 1941SOL     OW 7394   2.302   3.155   5.735  0.3415 -0.6209 -0.0859
+ 1941SOL    HW1 7395   2.322   3.062   5.726  1.2425 -0.2807 -1.9109
+ 1941SOL    HW2 7396   2.216   3.157   5.776  0.4038 -2.2510  0.1664
+ 1942SOL     OW 7397   0.251   1.699   6.124  0.5405 -0.0847 -0.7096
+ 1942SOL    HW1 7398   0.247   1.741   6.038 -0.4486  0.1072 -0.5729
+ 1942SOL    HW2 7399   0.183   1.742   6.175 -0.6321 -2.0056 -0.6282
+ 1943SOL     OW 7400   2.600   4.184   1.205 -0.0452  0.2674 -0.0447
+ 1943SOL    HW1 7401   2.651   4.104   1.195  1.1548  1.0958 -0.6346
+ 1943SOL    HW2 7402   2.605   4.204   1.299 -0.0771 -0.1675  0.0494
+ 1944SOL     OW 7403   1.042   4.111   6.730 -1.2730  0.0394  0.1707
+ 1944SOL    HW1 7404   1.051   4.038   6.792 -0.9978 -0.0125  0.0663
+ 1944SOL    HW2 7405   1.018   4.069   6.647  1.4508 -0.1453 -0.5427
+ 1945SOL     OW 7406   1.339   1.763   4.056 -0.1803 -0.3761  0.3603
+ 1945SOL    HW1 7407   1.286   1.835   4.090  0.0286 -0.9650  1.9650
+ 1945SOL    HW2 7408   1.351   1.784   3.963 -2.7871  0.0099  0.0681
+ 1946SOL     OW 7409   7.591   3.221   7.146  0.3761 -0.3741 -0.2434
+ 1946SOL    HW1 7410   7.663   3.161   7.162  1.3358  0.5605 -0.9984
+ 1946SOL    HW2 7411   7.622   3.279   7.076 -1.0895  0.0535 -0.5765
+ 1947SOL     OW 7412   2.187   3.188   7.917 -0.6323  0.3412 -0.5055
+ 1947SOL    HW1 7413   2.097   3.186   7.950 -1.0593  0.3544 -1.6504
+ 1947SOL    HW2 7414   2.180   3.157   7.827  0.6802 -0.8072 -0.2267
+ 1948SOL     OW 7415   0.913   0.952   6.073 -0.3454  0.5028  0.1286
+ 1948SOL    HW1 7416   0.981   1.002   6.117 -1.2180  0.0362  2.0638
+ 1948SOL    HW2 7417   0.877   1.011   6.007  1.5082  0.9449 -0.4972
+ 1949SOL     OW 7418   7.111   2.301   7.526 -0.3262 -0.4565 -0.2768
+ 1949SOL    HW1 7419   7.184   2.329   7.471  0.8603 -1.3915  0.7906
+ 1949SOL    HW2 7420   7.140   2.218   7.564 -1.6603 -0.4871  0.7226
+ 1950SOL     OW 7421   0.374   2.305   5.810 -0.2724  0.0158 -0.1107
+ 1950SOL    HW1 7422   0.450   2.256   5.778 -0.8885 -1.0456  0.0273
+ 1950SOL    HW2 7423   0.411   2.373   5.867  0.4800 -1.6494  1.4325
+ 1951SOL     OW 7424   6.986   3.250   6.232  0.2942  0.0964 -0.8264
+ 1951SOL    HW1 7425   6.971   3.320   6.295 -2.6717  0.2329 -1.6287
+ 1951SOL    HW2 7426   7.078   3.258   6.209  0.6946  1.9127  1.2383
+ 1952SOL     OW 7427   1.241   1.761   6.309 -0.1467  0.1909 -0.4799
+ 1952SOL    HW1 7428   1.178   1.718   6.251 -1.2346  0.3876  0.5397
+ 1952SOL    HW2 7429   1.323   1.759   6.260 -0.3589 -2.3115 -0.7980
+ 1953SOL     OW 7430   7.143   3.535   4.690  0.4775  0.3535  0.1530
+ 1953SOL    HW1 7431   7.199   3.607   4.720  0.8786 -0.6901  1.9609
+ 1953SOL    HW2 7432   7.071   3.532   4.753  0.2683 -0.5904 -0.1168
+ 1954SOL     OW 7433   2.505   3.995   6.693  0.3506  0.3034  0.1740
+ 1954SOL    HW1 7434   2.564   3.997   6.618  0.2535  0.8935  0.1117
+ 1954SOL    HW2 7435   2.468   4.083   6.697  1.1969  0.6147  1.5900
+ 1955SOL     OW 7436   1.105   3.008   6.949  0.2687 -0.2120  0.4180
+ 1955SOL    HW1 7437   1.029   2.950   6.941 -0.7220  1.0936  0.0584
+ 1955SOL    HW2 7438   1.116   3.021   7.043 -0.7544  0.5841  0.4437
+ 1956SOL     OW 7439   1.487   2.745   6.292 -0.0676 -0.9472  0.5662
+ 1956SOL    HW1 7440   1.524   2.710   6.373  1.9334 -0.6073 -0.1686
+ 1956SOL    HW2 7441   1.483   2.840   6.307 -3.8659 -1.2453  1.9045
+ 1957SOL     OW 7442   0.751   3.603   7.219 -0.0790  0.1994  0.2654
+ 1957SOL    HW1 7443   0.727   3.514   7.245 -1.1610  0.5473  0.4616
+ 1957SOL    HW2 7444   0.680   3.630   7.160  0.7201  0.5901 -0.5249
+ 1958SOL     OW 7445   0.770   3.814   6.565 -0.4971 -0.1804  0.1245
+ 1958SOL    HW1 7446   0.734   3.729   6.590 -1.0093 -0.1668 -0.5661
+ 1958SOL    HW2 7447   0.700   3.857   6.517 -0.6940  1.1593  1.5560
+ 1959SOL     OW 7448   2.001   3.457   6.479  0.3826 -0.0493 -0.0312
+ 1959SOL    HW1 7449   1.963   3.501   6.402  0.3652  0.9009  0.5226
+ 1959SOL    HW2 7450   2.079   3.414   6.445 -1.8490 -3.1525 -1.4911
+ 1960SOL     OW 7451   7.256   3.361   0.142 -0.5278  0.4557 -0.3195
+ 1960SOL    HW1 7452   7.313   3.435   0.161  0.1487 -0.3560  0.8679
+ 1960SOL    HW2 7453   7.285   3.330   0.056 -0.5683  1.3347 -0.6532
+ 1961SOL     OW 7454   1.059   1.358   7.390 -0.4056  0.5344 -0.4818
+ 1961SOL    HW1 7455   1.004   1.416   7.337 -0.2616  0.0253 -1.1848
+ 1961SOL    HW2 7456   1.018   1.358   7.476 -1.2352  0.5317 -0.8751
+ 1962SOL     OW 7457   1.615   3.982   5.208 -0.2648 -0.4315  0.7853
+ 1962SOL    HW1 7458   1.527   4.020   5.205  0.0518  0.2283 -0.8832
+ 1962SOL    HW2 7459   1.673   4.057   5.192  0.5877 -0.9288  1.5148
+ 1963SOL     OW 7460   1.433   2.888   5.948  0.2284  0.2796  0.2637
+ 1963SOL    HW1 7461   1.443   2.796   5.974  3.3151  0.1937 -0.9862
+ 1963SOL    HW2 7462   1.394   2.884   5.860 -1.4471  0.2584  0.9915
+ 1964SOL     OW 7463   1.363   2.691   4.135  0.1723 -0.3889  0.3389
+ 1964SOL    HW1 7464   1.359   2.730   4.047  0.8965 -0.5135  0.2477
+ 1964SOL    HW2 7465   1.296   2.624   4.134  1.1884 -1.4194 -0.6324
+ 1965SOL     OW 7466   7.796   1.281   5.319 -0.1645  0.3520  0.2688
+ 1965SOL    HW1 7467   7.704   1.299   5.298  0.0143 -0.2888 -1.1335
+ 1965SOL    HW2 7468   7.826   1.359   5.366 -0.7136  1.6502 -1.5053
+ 1966SOL     OW 7469   1.278   3.057   0.347  0.0670  0.3801  0.1504
+ 1966SOL    HW1 7470   1.232   3.127   0.392 -0.8560 -0.2840  0.2722
+ 1966SOL    HW2 7471   1.217   2.982   0.351  1.7787 -0.9569  1.5958
+ 1967SOL     OW 7472   1.353   2.937   6.600  0.6858  0.1353 -0.0457
+ 1967SOL    HW1 7473   1.274   2.987   6.622 -0.0149 -0.1469 -1.8530
+ 1967SOL    HW2 7474   1.375   2.965   6.511  2.2755 -0.2490  0.2190
+ 1968SOL     OW 7475   2.801   3.232   7.930  0.0713  0.1420  0.9125
+ 1968SOL    HW1 7476   2.807   3.136   7.938 -0.5792  0.0246  0.0848
+ 1968SOL    HW2 7477   2.761   3.246   7.844 -1.9957  1.0870  2.0008
+ 1969SOL     OW 7478   0.581   1.104   6.005 -0.0205  0.2079  0.1941
+ 1969SOL    HW1 7479   0.533   1.166   6.059  0.3438 -1.5973  2.6950
+ 1969SOL    HW2 7480   0.514   1.045   5.971  0.0021 -0.0057  0.5212
+ 1970SOL     OW 7481   1.140   2.155   6.466  0.2199  0.5296 -0.3190
+ 1970SOL    HW1 7482   1.206   2.225   6.465 -0.5342  1.2571  0.2929
+ 1970SOL    HW2 7483   1.082   2.177   6.393  0.7772 -0.2485 -1.0136
+ 1971SOL     OW 7484   1.355   3.306   6.782 -0.7102 -0.2468 -0.5804
+ 1971SOL    HW1 7485   1.317   3.280   6.866  0.3378 -0.2321 -0.0982
+ 1971SOL    HW2 7486   1.352   3.402   6.783  0.5623 -0.1992  0.0435
+ 1972SOL     OW 7487   1.602   2.586   6.495  0.6428  0.4613  0.3920
+ 1972SOL    HW1 7488   1.651   2.516   6.453 -2.9082 -1.4088 -0.8720
+ 1972SOL    HW2 7489   1.612   2.571   6.589 -0.2952 -1.9624  0.1338
+ 1973SOL     OW 7490   1.375   3.586   5.836  0.2760 -0.0592  0.2433
+ 1973SOL    HW1 7491   1.288   3.604   5.801  0.3581  0.8106  0.4896
+ 1973SOL    HW2 7492   1.367   3.499   5.876 -0.7244  0.3920  1.0496
+ 1974SOL     OW 7493   7.716   3.933   7.221 -0.1840  0.3585  0.3903
+ 1974SOL    HW1 7494   7.686   3.961   7.135  0.8254 -0.9614 -0.3916
+ 1974SOL    HW2 7495   7.644   3.957   7.280 -0.4368  2.2229 -0.6366
+ 1975SOL     OW 7496   1.963   2.710   4.428 -0.1947  0.8313 -0.0338
+ 1975SOL    HW1 7497   1.926   2.695   4.341 -1.0612  1.1445  0.2807
+ 1975SOL    HW2 7498   1.965   2.806   4.437  0.2560  0.8084  0.1401
+ 1976SOL     OW 7499   2.282   2.585   5.192 -0.1498 -0.4689  0.1648
+ 1976SOL    HW1 7500   2.255   2.538   5.271 -1.8671 -0.4978 -0.4105
+ 1976SOL    HW2 7501   2.272   2.521   5.121  1.9767 -0.6341 -0.0016
+ 1977SOL     OW 7502   0.772   2.537   5.297  0.5253 -0.4009  0.1481
+ 1977SOL    HW1 7503   0.800   2.473   5.232  0.8297 -0.6325  0.5019
+ 1977SOL    HW2 7504   0.809   2.505   5.380  1.1327  0.5059  0.2446
+ 1978SOL     OW 7505   2.874   1.560   5.037  0.0732  0.2222  0.4179
+ 1978SOL    HW1 7506   2.811   1.605   5.093  0.6270 -0.8493  1.9565
+ 1978SOL    HW2 7507   2.849   1.468   5.043  1.0338 -0.0659  0.0850
+ 1979SOL     OW 7508   0.457   4.538   7.245 -0.3316  0.3740 -0.5623
+ 1979SOL    HW1 7509   0.545   4.521   7.278 -0.4721  1.0281  0.1602
+ 1979SOL    HW2 7510   0.400   4.522   7.321 -0.8765 -0.4602 -1.1369
+ 1980SOL     OW 7511   1.437   3.407   0.959  0.8420 -0.4671  0.0847
+ 1980SOL    HW1 7512   1.419   3.319   0.992 -1.4748  0.2412  0.8926
+ 1980SOL    HW2 7513   1.394   3.410   0.874  1.3401 -0.2746 -0.1585
+ 1981SOL     OW 7514   1.802   0.694   7.982  0.3502  0.1554 -0.2728
+ 1981SOL    HW1 7515   1.750   0.623   8.019  2.7902 -1.1181  0.8185
+ 1981SOL    HW2 7516   1.769   0.705   7.893 -0.9827 -1.3944  0.0290
+ 1982SOL     OW 7517   6.895   2.080   4.871  0.0794 -0.1023 -0.0654
+ 1982SOL    HW1 7518   6.858   2.051   4.954  0.9215 -0.7151  0.1038
+ 1982SOL    HW2 7519   6.987   2.056   4.876  0.1915  0.0785 -1.0774
+ 1983SOL     OW 7520   1.204   3.897   5.424  0.1806 -0.1961  0.0616
+ 1983SOL    HW1 7521   1.246   3.972   5.466  1.9968 -1.3038  0.2488
+ 1983SOL    HW2 7522   1.246   3.820   5.463 -0.8631 -1.3079 -0.9549
+ 1984SOL     OW 7523   7.674   2.169   7.221  0.1797  0.1482  0.6707
+ 1984SOL    HW1 7524   7.718   2.133   7.144  0.1113 -1.4269  1.3454
+ 1984SOL    HW2 7525   7.670   2.263   7.205  2.4698  0.1594 -0.0828
+ 1985SOL     OW 7526   2.406   3.840   0.155  0.0714  0.7330  0.4163
+ 1985SOL    HW1 7527   2.345   3.885   0.096 -1.8914 -2.4546 -0.1499
+ 1985SOL    HW2 7528   2.357   3.829   0.236  0.7077  0.1487  0.7262
+ 1986SOL     OW 7529   7.276   4.028   5.917 -0.2099  0.2661  0.0579
+ 1986SOL    HW1 7530   7.249   3.939   5.894 -1.1484  0.7545 -0.7394
+ 1986SOL    HW2 7531   7.330   4.057   5.844  1.3055 -0.1719  0.9858
+ 1987SOL     OW 7532   6.413   3.323   6.648  0.1022  0.0709 -0.1602
+ 1987SOL    HW1 7533   6.476   3.385   6.684  0.3703 -0.4316  0.2582
+ 1987SOL    HW2 7534   6.457   3.238   6.656 -0.6168 -0.2821  0.1217
+ 1988SOL     OW 7535   1.571   3.853   0.614 -0.1996 -0.5422  0.7957
+ 1988SOL    HW1 7536   1.651   3.884   0.658 -1.1137  2.4154  0.5296
+ 1988SOL    HW2 7537   1.545   3.776   0.663  1.5785 -0.2217  2.3107
+ 1989SOL     OW 7538   0.465   2.563   6.204  0.2571  0.3562 -0.1910
+ 1989SOL    HW1 7539   0.514   2.483   6.223  0.2663  0.1957 -0.8822
+ 1989SOL    HW2 7540   0.399   2.568   6.274 -0.3682 -0.7728 -0.6791
+ 1990SOL     OW 7541   1.196   2.511   0.185 -1.3234  0.2579  0.0578
+ 1990SOL    HW1 7542   1.171   2.527   0.095 -0.1528  2.0337  0.0239
+ 1990SOL    HW2 7543   1.144   2.435   0.212 -0.4462 -1.3600 -2.6267
+ 1991SOL     OW 7544   7.983   3.848   7.115 -0.1265  0.3519  0.0252
+ 1991SOL    HW1 7545   7.933   3.923   7.149  0.5676  1.4980 -1.4333
+ 1991SOL    HW2 7546   8.074   3.878   7.116  0.4135 -1.2521  1.4176
+ 1992SOL     OW 7547   1.599   2.847   5.053 -0.0536  0.3573 -0.0831
+ 1992SOL    HW1 7548   1.508   2.871   5.038  0.3654  0.6135 -2.3464
+ 1992SOL    HW2 7549   1.607   2.758   5.019 -0.2514 -1.0386  3.2761
+ 1993SOL     OW 7550   1.095   4.233   0.245 -0.0839  0.2574  0.7889
+ 1993SOL    HW1 7551   1.176   4.191   0.275  0.9852  1.2087 -0.7321
+ 1993SOL    HW2 7552   1.067   4.181   0.170  0.8325  1.7582 -0.6252
+ 1994SOL     OW 7553   0.596   2.199   5.313  0.1196  0.1685  0.2459
+ 1994SOL    HW1 7554   0.524   2.147   5.278  0.1537 -1.2975  2.2672
+ 1994SOL    HW2 7555   0.554   2.272   5.357 -0.0699 -0.0088  0.3568
+ 1995SOL     OW 7556   2.253   2.187   5.542  0.1696 -0.0250 -0.0016
+ 1995SOL    HW1 7557   2.339   2.147   5.527 -0.0339 -0.0049 -1.2403
+ 1995SOL    HW2 7558   2.259   2.273   5.502 -1.2993 -1.0338 -2.5254
+ 1996SOL     OW 7559   2.567   2.470   5.325 -0.8581 -0.6385  0.2693
+ 1996SOL    HW1 7560   2.472   2.463   5.309 -0.7379  0.0488 -0.7082
+ 1996SOL    HW2 7561   2.573   2.519   5.407 -1.2806  1.7650 -1.1082
+ 1997SOL     OW 7562   2.448   1.796   5.426 -0.3402 -0.3749 -0.0673
+ 1997SOL    HW1 7563   2.418   1.708   5.451  1.6639 -1.2697 -0.6598
+ 1997SOL    HW2 7564   2.387   1.823   5.357 -1.0548 -1.2587  0.2061
+ 1998SOL     OW 7565   1.335   4.003   7.310  0.2484 -0.5026  0.0823
+ 1998SOL    HW1 7566   1.292   4.075   7.355 -0.4537 -0.3323 -0.8428
+ 1998SOL    HW2 7567   1.408   4.044   7.264  1.9391 -0.9157  2.3147
+ 1999SOL     OW 7568   1.682   2.913   6.871  0.3561  0.2630  0.4375
+ 1999SOL    HW1 7569   1.653   3.002   6.888  1.6411  0.4989  1.4039
+ 1999SOL    HW2 7570   1.663   2.899   6.778  1.7322  2.1441 -0.1463
+ 2000SOL     OW 7571   0.880   2.200   6.223  0.4128 -1.0099  0.4954
+ 2000SOL    HW1 7572   0.849   2.150   6.148 -0.9568  1.5185 -0.6980
+ 2000SOL    HW2 7573   0.965   2.235   6.195 -0.0867 -0.0867  0.1121
+ 2001SOL     OW 7574   1.239   3.205   6.276  0.0387 -0.1831 -0.1352
+ 2001SOL    HW1 7575   1.311   3.243   6.226 -0.4950  0.4207 -0.4606
+ 2001SOL    HW2 7576   1.275   3.191   6.364  0.7489 -0.5193 -0.4746
+ 2002SOL     OW 7577   1.103   0.716   5.585 -0.4452 -0.0917 -0.2683
+ 2002SOL    HW1 7578   1.010   0.731   5.568 -0.6048 -0.5053  0.2403
+ 2002SOL    HW2 7579   1.107   0.687   5.676  0.3034  1.0457  0.0691
+ 2003SOL     OW 7580   1.825   2.434   3.967  0.4412  0.2830 -0.2453
+ 2003SOL    HW1 7581   1.778   2.512   3.938  0.5229  0.4118 -0.0313
+ 2003SOL    HW2 7582   1.917   2.453   3.949  0.3312 -0.3513 -1.5461
+ 2004SOL     OW 7583   1.342   4.115   6.879  0.2958 -0.3054 -0.0671
+ 2004SOL    HW1 7584   1.316   4.025   6.860  0.6729 -0.3535 -0.3723
+ 2004SOL    HW2 7585   1.349   4.118   6.974 -0.8825 -0.2728  0.0297
+ 2005SOL     OW 7586   1.413   2.361   5.489  0.0730 -0.2842 -0.0636
+ 2005SOL    HW1 7587   1.500   2.378   5.524 -0.2293  0.6883  0.2073
+ 2005SOL    HW2 7588   1.428   2.331   5.399  0.5134  3.2224 -1.2243
+ 2006SOL     OW 7589   2.446   2.707   6.421 -0.3938 -0.2072  0.2897
+ 2006SOL    HW1 7590   2.357   2.740   6.435 -0.6587 -1.3318  1.2945
+ 2006SOL    HW2 7591   2.442   2.664   6.335 -1.2562 -1.6947  1.0587
+ 2007SOL     OW 7592   0.853   4.263   5.091  0.5348  0.4532 -0.4201
+ 2007SOL    HW1 7593   0.826   4.302   5.174  1.2774  0.1605 -0.0319
+ 2007SOL    HW2 7594   0.892   4.179   5.116 -2.2221 -1.1370 -1.3473
+ 2008SOL     OW 7595   1.998   4.940   7.794  0.9345 -0.4775  0.0996
+ 2008SOL    HW1 7596   1.962   4.861   7.834  1.3548 -0.4002  0.6447
+ 2008SOL    HW2 7597   1.922   4.990   7.764  0.6606 -0.9737 -0.0301
+ 2009SOL     OW 7598   2.381   1.295   6.583  0.0381 -0.5608  0.2932
+ 2009SOL    HW1 7599   2.450   1.228   6.587  1.9173  1.4421  3.0948
+ 2009SOL    HW2 7600   2.332   1.283   6.664 -0.0832  0.9481  0.4522
+ 2010SOL     OW 7601   0.295   1.174   6.026  0.1136  0.0161  0.4690
+ 2010SOL    HW1 7602   0.327   1.097   5.979 -3.6672 -0.3698 -1.7008
+ 2010SOL    HW2 7603   0.303   1.246   5.963  0.2445  0.6727  1.2260
+ 2011SOL     OW 7604   0.863   5.230   5.312  0.2069 -0.3804  0.1546
+ 2011SOL    HW1 7605   0.902   5.235   5.225 -0.9908  0.8493 -0.3150
+ 2011SOL    HW2 7606   0.778   5.187   5.298 -0.4896  0.8598  0.5386
+ 2012SOL     OW 7607   0.829   3.394   5.095 -0.0583  0.0842  0.2668
+ 2012SOL    HW1 7608   0.796   3.310   5.126 -0.9931  0.4222  0.1960
+ 2012SOL    HW2 7609   0.750   3.447   5.079  0.4875  0.6593 -0.5585
+ 2013SOL     OW 7610   0.317   3.986   5.904 -0.1351  0.0258  0.2727
+ 2013SOL    HW1 7611   0.307   4.018   5.994  0.3516  0.3138  0.2235
+ 2013SOL    HW2 7612   0.251   4.035   5.854  0.0656  0.3715  0.3441
+ 2014SOL     OW 7613   0.735   5.654   5.631  0.3780  0.2337 -0.0858
+ 2014SOL    HW1 7614   0.787   5.594   5.577 -2.7837 -0.8725 -1.9811
+ 2014SOL    HW2 7615   0.682   5.597   5.687 -0.4337  1.3003  0.2506
+ 2015SOL     OW 7616   1.071   4.449   6.096 -0.1819  0.4281  0.4620
+ 2015SOL    HW1 7617   1.110   4.472   6.180  0.0497  0.8761  0.2367
+ 2015SOL    HW2 7618   1.118   4.503   6.032 -0.9537  0.7449  0.1507
+ 2016SOL     OW 7619   2.124   1.833   6.945 -0.2483 -0.2031  0.1022
+ 2016SOL    HW1 7620   2.031   1.819   6.929 -0.9931  2.3795  1.9499
+ 2016SOL    HW2 7621   2.150   1.756   6.997 -1.9326  0.2251  1.6435
+ 2017SOL     OW 7622   0.140   2.262   6.074 -0.2346  0.4680 -0.1083
+ 2017SOL    HW1 7623   0.152   2.183   6.126  1.6441  1.4085  0.9412
+ 2017SOL    HW2 7624   0.070   2.310   6.118 -2.3180 -1.2296 -1.5284
+ 2018SOL     OW 7625   2.445   3.483   7.259 -0.2349 -0.2236 -0.3353
+ 2018SOL    HW1 7626   2.483   3.395   7.248  0.8733  0.2627 -0.4295
+ 2018SOL    HW2 7627   2.361   3.467   7.302  0.1487 -1.3039  0.0375
+ 2019SOL     OW 7628   1.834   4.495   5.602  0.1235  0.6549  0.2139
+ 2019SOL    HW1 7629   1.917   4.540   5.587 -1.3431  2.9671 -1.4960
+ 2019SOL    HW2 7630   1.810   4.519   5.692  2.0101 -1.3225  1.2853
+ 2020SOL     OW 7631   1.999   2.883   7.782 -0.1467  0.3982 -0.0531
+ 2020SOL    HW1 7632   2.054   2.859   7.857 -0.9432 -0.7531  0.1804
+ 2020SOL    HW2 7633   1.919   2.832   7.794  0.2517 -0.8497 -2.4025
+ 2021SOL     OW 7634   1.031   2.971   7.209  0.0263 -0.2060 -0.6751
+ 2021SOL    HW1 7635   0.964   3.035   7.233  0.0253 -0.1431 -0.8461
+ 2021SOL    HW2 7636   1.011   2.894   7.262 -0.2446 -0.2229 -0.8021
+ 2022SOL     OW 7637   7.888   2.297   7.564  0.0518 -0.2271  0.6946
+ 2022SOL    HW1 7638   7.895   2.235   7.491 -0.5469 -1.1813  1.4207
+ 2022SOL    HW2 7639   7.944   2.260   7.632  0.2987  0.4481  0.8617
+ 2023SOL     OW 7640   0.964   4.127   0.653  0.1653  0.0358  0.1717
+ 2023SOL    HW1 7641   0.884   4.154   0.698 -0.4906 -1.2721 -0.1904
+ 2023SOL    HW2 7642   0.957   4.166   0.565 -0.4561 -0.7231 -0.1223
+ 2024SOL     OW 7643   0.283   1.390   5.881 -0.3109  0.3789  0.3511
+ 2024SOL    HW1 7644   0.332   1.458   5.927 -1.8852  1.1470  0.9344
+ 2024SOL    HW2 7645   0.202   1.434   5.852 -0.1807 -0.5599 -1.5461
+ 2025SOL     OW 7646   1.235   2.495   6.076  0.1071 -0.5282 -0.1095
+ 2025SOL    HW1 7647   1.240   2.514   6.170  0.9662 -0.7586 -0.1022
+ 2025SOL    HW2 7648   1.323   2.513   6.044 -0.0150 -1.0874 -0.7534
+ 2026SOL     OW 7649   0.011   2.609   6.245  0.5786  0.0538  0.0166
+ 2026SOL    HW1 7650  -0.064   2.591   6.301  1.7365 -1.5897  1.0770
+ 2026SOL    HW2 7651  -0.009   2.565   6.162 -0.6955  1.6636 -0.5493
+ 2027SOL     OW 7652   1.313   3.696   5.134 -0.1867  0.1493 -0.0074
+ 2027SOL    HW1 7653   1.325   3.791   5.144  1.2070 -0.0202  0.0775
+ 2027SOL    HW2 7654   1.293   3.665   5.223 -1.1088  0.4287 -0.1192
+ 2028SOL     OW 7655   2.199   2.506   6.279 -0.6140  0.5952  0.3368
+ 2028SOL    HW1 7656   2.278   2.482   6.327  0.3421  1.9645 -0.5396
+ 2028SOL    HW2 7657   2.128   2.496   6.343  0.3465  0.1543  1.3517
+ 2029SOL     OW 7658   1.740   4.253   7.155 -0.7094  0.1353 -0.1147
+ 2029SOL    HW1 7659   1.777   4.310   7.223 -3.2428  0.8217  0.7380
+ 2029SOL    HW2 7660   1.777   4.167   7.173  0.7048  0.8605  0.5205
+ 2030SOL     OW 7661   1.515   2.134   6.277 -0.4799 -0.0816 -0.5091
+ 2030SOL    HW1 7662   1.483   2.217   6.313  0.3669 -0.0834  0.2628
+ 2030SOL    HW2 7663   1.456   2.115   6.204 -1.2864  0.6978 -0.0675
+ 2031SOL     OW 7664   2.129   3.463   7.347  0.2049  0.2139 -0.0206
+ 2031SOL    HW1 7665   2.087   3.431   7.427 -0.5488  0.2790 -0.3860
+ 2031SOL    HW2 7666   2.056   3.490   7.291  0.7477  0.5473 -0.5698
+ 2032SOL     OW 7667   0.982   4.012   6.492  0.0088 -0.3229 -0.0691
+ 2032SOL    HW1 7668   0.910   3.950   6.500  1.9945 -2.7696 -0.5199
+ 2032SOL    HW2 7669   1.039   3.974   6.425  1.1811  2.1077 -0.5023
+ 2033SOL     OW 7670   2.553   2.090   6.535 -0.4494 -0.1384  0.3029
+ 2033SOL    HW1 7671   2.519   2.065   6.449 -0.3059 -0.2892  0.2915
+ 2033SOL    HW2 7672   2.528   2.017   6.592  0.0414 -0.3423  0.2527
+ 2034SOL     OW 7673   2.596   2.550   7.861 -0.3929  0.0476  0.1810
+ 2034SOL    HW1 7674   2.636   2.488   7.922  1.8489  1.5608  0.2813
+ 2034SOL    HW2 7675   2.575   2.626   7.915 -2.6556 -0.3594 -0.0543
+ 2035SOL     OW 7676   1.643   1.627   4.359 -0.0573  0.1019 -0.1988
+ 2035SOL    HW1 7677   1.613   1.705   4.311 -2.9855 -1.3288 -0.7589
+ 2035SOL    HW2 7678   1.599   1.632   4.443  0.0327 -0.7879 -0.0977
+ 2036SOL     OW 7679   3.188   4.071   7.408  0.1298 -0.1741  0.3623
+ 2036SOL    HW1 7680   3.134   4.056   7.486 -1.0303 -2.5037 -0.8303
+ 2036SOL    HW2 7681   3.253   4.000   7.411  0.4489  0.0812 -0.4848
+ 2037SOL     OW 7682   2.137   2.766   6.770 -0.0777 -0.6945 -0.1732
+ 2037SOL    HW1 7683   2.090   2.805   6.843 -1.2629  0.1155 -1.3404
+ 2037SOL    HW2 7684   2.226   2.802   6.777 -0.6213  0.6385 -0.0653
+ 2038SOL     OW 7685   2.063   4.048   5.110 -0.5290 -0.0777  0.3680
+ 2038SOL    HW1 7686   2.019   4.065   5.193 -1.2107  0.0420 -0.0178
+ 2038SOL    HW2 7687   2.138   3.992   5.133 -1.1035 -0.6057  0.9722
+ 2039SOL     OW 7688   0.191   5.665   6.355 -0.2903 -0.4646  1.0549
+ 2039SOL    HW1 7689   0.198   5.646   6.449 -0.6626 -1.0393  0.9673
+ 2039SOL    HW2 7690   0.117   5.612   6.325 -0.6881  0.3437  0.5970
+ 2040SOL     OW 7691   2.830   3.045   4.818  0.2207  0.1200 -0.0193
+ 2040SOL    HW1 7692   2.819   2.958   4.856 -1.0427 -0.5701 -1.8752
+ 2040SOL    HW2 7693   2.751   3.093   4.845  0.5676  0.4674  0.3900
+ 2041SOL     OW 7694   7.239   3.250   4.383  0.2411 -0.1966 -0.2695
+ 2041SOL    HW1 7695   7.314   3.302   4.356  0.2087 -0.4159 -0.7899
+ 2041SOL    HW2 7696   7.180   3.312   4.426  0.6253  0.0152 -0.0503
+ 2042SOL     OW 7697   0.534   0.348   7.173  0.5022 -0.4335 -0.4019
+ 2042SOL    HW1 7698   0.602   0.289   7.140 -0.3091 -1.4764 -0.2051
+ 2042SOL    HW2 7699   0.456   0.328   7.121 -0.0182 -0.1529  0.2659
+ 2043SOL     OW 7700   0.785   2.468   7.580 -0.1295  0.4350 -0.1937
+ 2043SOL    HW1 7701   0.813   2.398   7.639 -0.7837 -0.0915 -0.5122
+ 2043SOL    HW2 7702   0.797   2.432   7.492 -1.7862  0.2138 -0.3367
+ 2044SOL     OW 7703   0.307   2.613   5.075  0.1745 -0.5955 -0.4726
+ 2044SOL    HW1 7704   0.342   2.618   4.987  0.9989  0.2748 -0.1136
+ 2044SOL    HW2 7705   0.286   2.704   5.097 -1.3894 -0.9945 -0.3189
+ 2045SOL     OW 7706   1.143   4.391   0.861 -0.4950  0.1157  0.0127
+ 2045SOL    HW1 7707   1.070   4.389   0.922 -0.4622  1.5228  0.1130
+ 2045SOL    HW2 7708   1.201   4.460   0.894  0.0009  0.2294 -1.0590
+ 2046SOL     OW 7709   7.322   1.488   0.126  0.1493 -0.9558 -0.1225
+ 2046SOL    HW1 7710   7.277   1.405   0.145 -1.0479 -1.1209 -3.3721
+ 2046SOL    HW2 7711   7.388   1.466   0.062  1.4594  0.2279  0.7861
+ 2047SOL     OW 7712   3.117   2.151   5.856  0.2986  0.2827 -0.0197
+ 2047SOL    HW1 7713   3.056   2.129   5.786 -1.8066  1.7862  1.2830
+ 2047SOL    HW2 7714   3.089   2.098   5.931  1.9204 -0.5769  0.0127
+ 2048SOL     OW 7715   3.297   2.872   5.902 -0.1146  0.8185 -0.1905
+ 2048SOL    HW1 7716   3.350   2.802   5.940  0.0817  0.6924 -0.6939
+ 2048SOL    HW2 7717   3.209   2.836   5.897 -0.4453  1.3534  1.5122
+ 2049SOL     OW 7718   1.681   1.275   5.615  0.2117  0.2703  0.0823
+ 2049SOL    HW1 7719   1.688   1.201   5.555 -1.2935 -2.4431  3.0364
+ 2049SOL    HW2 7720   1.588   1.278   5.638  0.9230  0.4032  3.1765
+ 2050SOL     OW 7721   1.295   2.343   6.663  0.1795 -0.2437  0.0083
+ 2050SOL    HW1 7722   1.229   2.285   6.702  0.1397  0.4830  1.0585
+ 2050SOL    HW2 7723   1.367   2.343   6.726 -0.1582  1.4723  0.4506
+ 2051SOL     OW 7724   1.072   1.290   6.371 -0.9837  0.5726  0.3193
+ 2051SOL    HW1 7725   1.081   1.294   6.466 -1.6629 -0.7564  0.4429
+ 2051SOL    HW2 7726   0.981   1.265   6.356 -0.4380 -0.8624 -0.6470
+ 2052SOL     OW 7727   0.812   2.906   0.413 -0.0207 -0.1682  0.0587
+ 2052SOL    HW1 7728   0.818   2.917   0.508  1.0528 -1.2272  0.1287
+ 2052SOL    HW2 7729   0.719   2.911   0.393 -0.1930  0.7319  1.0861
+ 2053SOL     OW 7730   2.102   1.092   4.660 -0.5331 -0.3234  0.0207
+ 2053SOL    HW1 7731   2.165   1.019   4.660 -3.4660 -2.9865  1.3558
+ 2053SOL    HW2 7732   2.095   1.117   4.753 -2.4680 -1.0431  0.0893
+ 2054SOL     OW 7733   2.941   3.788   6.023  0.4335 -0.1469 -0.0931
+ 2054SOL    HW1 7734   3.029   3.757   6.043  0.6170 -1.9017 -3.2364
+ 2054SOL    HW2 7735   2.945   3.815   5.931 -1.6057  2.4349  0.5085
+ 2055SOL     OW 7736   2.500   1.916   7.706  0.4758  0.0304 -0.3394
+ 2055SOL    HW1 7737   2.489   1.973   7.783  0.5680 -0.1735 -0.1741
+ 2055SOL    HW2 7738   2.412   1.888   7.684  0.6320 -1.4916  0.8945
+ 2056SOL     OW 7739   2.713   3.680   4.678 -0.1240  0.1765  0.2926
+ 2056SOL    HW1 7740   2.656   3.725   4.616  0.3169 -1.0159 -1.0212
+ 2056SOL    HW2 7741   2.672   3.594   4.690  1.3778 -0.7247 -0.7121
+ 2057SOL     OW 7742   2.263   0.857   7.794 -0.0802 -0.6860  0.2994
+ 2057SOL    HW1 7743   2.262   0.765   7.821  1.1359 -0.7311  0.2022
+ 2057SOL    HW2 7744   2.191   0.863   7.731 -1.1322 -1.2204  1.4139
+ 2058SOL     OW 7745   7.746   3.735   4.515 -0.2018  0.0619  0.2336
+ 2058SOL    HW1 7746   7.762   3.754   4.423  2.2212  1.9173  0.9920
+ 2058SOL    HW2 7747   7.794   3.653   4.531  2.5575  1.6882  0.6821
+ 2059SOL     OW 7748   2.344   3.827   6.840 -0.3832  0.6184 -0.0879
+ 2059SOL    HW1 7749   2.409   3.778   6.890 -1.6181 -0.9907 -0.0155
+ 2059SOL    HW2 7750   2.390   3.856   6.762  1.1810  1.9236  1.2715
+ 2060SOL     OW 7751   6.098   2.222   7.088 -0.1446  0.3341  0.3805
+ 2060SOL    HW1 7752   6.175   2.278   7.088 -0.0817  0.2483  0.7897
+ 2060SOL    HW2 7753   6.118   2.153   7.152  0.3392 -0.9253 -1.0964
+ 2061SOL     OW 7754   2.799   1.735   0.094  0.3045  0.0851  0.1657
+ 2061SOL    HW1 7755   2.813   1.821   0.134  0.6753 -0.1381  0.5265
+ 2061SOL    HW2 7756   2.710   1.711   0.119 -0.9584  1.7437 -2.5538
+ 2062SOL     OW 7757   0.612   3.822   0.168 -0.2452  0.1084  0.0243
+ 2062SOL    HW1 7758   0.625   3.765   0.092  2.1379 -0.6388  0.9569
+ 2062SOL    HW2 7759   0.589   3.763   0.239  0.4503  0.5126  0.5797
+ 2063SOL     OW 7760   7.885   3.286   7.677 -0.1272 -0.3236  0.0515
+ 2063SOL    HW1 7761   7.871   3.369   7.723  2.0364 -0.1275  0.3981
+ 2063SOL    HW2 7762   7.897   3.222   7.747  2.5468 -0.1362 -0.1873
+ 2064SOL     OW 7763   2.550   2.431   7.146 -0.1672  0.2300 -0.4536
+ 2064SOL    HW1 7764   2.629   2.431   7.092 -0.9217 -0.2489 -1.5932
+ 2064SOL    HW2 7765   2.482   2.463   7.087 -1.1716 -1.0919 -0.0357
+ 2065SOL     OW 7766   2.351   3.672   1.455  0.2343  0.0318 -0.3327
+ 2065SOL    HW1 7767   2.415   3.725   1.504 -1.0906 -0.0376  1.5480
+ 2065SOL    HW2 7768   2.401   3.635   1.382  1.9625  1.2286  0.2018
+ 2066SOL     OW 7769   0.117   4.330   7.989  0.3174  0.3582 -0.3273
+ 2066SOL    HW1 7770   0.158   4.245   8.005 -0.0979  0.1659 -0.2755
+ 2066SOL    HW2 7771   0.052   4.339   8.059  0.1847  0.6055 -0.4812
+ 2067SOL     OW 7772   1.876   3.119   3.162  0.0351  0.2280  0.5397
+ 2067SOL    HW1 7773   1.906   3.053   3.100 -0.7538 -0.8127  1.2432
+ 2067SOL    HW2 7774   1.808   3.167   3.115 -0.9858 -0.9514  0.7793
+ 2068SOL     OW 7775   0.851   2.383   5.845 -0.5384  0.3544  0.7459
+ 2068SOL    HW1 7776   0.791   2.443   5.890  0.6552 -0.0636  2.9465
+ 2068SOL    HW2 7777   0.932   2.432   5.837 -0.7460  0.4359 -1.0398
+ 2069SOL     OW 7778   0.607   2.694   0.364 -0.1801 -0.0183  0.1898
+ 2069SOL    HW1 7779   0.593   2.706   0.270 -1.2750  1.1580  0.4788
+ 2069SOL    HW2 7780   0.684   2.639   0.370  1.2602  1.7360 -1.3906
+ 2070SOL     OW 7781   3.475   1.730   6.962  0.3881 -0.4285 -0.1481
+ 2070SOL    HW1 7782   3.450   1.822   6.965  1.2161 -0.0381 -3.3120
+ 2070SOL    HW2 7783   3.427   1.689   7.034 -0.4836  2.3433  0.8913
+ 2071SOL     OW 7784   7.733   1.764   0.394  0.1846 -0.3879  0.3197
+ 2071SOL    HW1 7785   7.822   1.786   0.367 -0.3084  1.2981 -0.0371
+ 2071SOL    HW2 7786   7.731   1.784   0.487 -0.3670  1.5949 -0.0759
+ 2072SOL     OW 7787   0.744   4.100   6.060 -0.2650  0.1229  0.0874
+ 2072SOL    HW1 7788   0.676   4.068   6.000 -0.2702 -1.2000  0.7622
+ 2072SOL    HW2 7789   0.697   4.156   6.121  0.0458  2.9793 -2.2164
+ 2073SOL     OW 7790   1.350   2.608   7.504 -0.0806  0.2636 -0.5428
+ 2073SOL    HW1 7791   1.382   2.555   7.431  1.7956  0.1033  0.3691
+ 2073SOL    HW2 7792   1.289   2.551   7.550  0.7666 -0.5790 -0.4426
+ 2074SOL     OW 7793   2.063   2.454   5.610  0.6521  0.0017 -0.1512
+ 2074SOL    HW1 7794   2.031   2.401   5.683  1.6520  1.4720  1.3967
+ 2074SOL    HW2 7795   1.992   2.450   5.546  0.2150 -2.2018  0.4259
+ 2075SOL     OW 7796   2.047   1.929   0.804  0.1415 -0.2620  0.4278
+ 2075SOL    HW1 7797   2.002   1.939   0.720 -2.8746 -0.2574  1.9770
+ 2075SOL    HW2 7798   2.074   1.837   0.806  1.4559  0.0802 -1.1181
+ 2076SOL     OW 7799   2.028   3.606   7.743  0.3316 -0.3304 -0.3296
+ 2076SOL    HW1 7800   2.065   3.695   7.742 -1.2474  0.3315 -0.7531
+ 2076SOL    HW2 7801   2.047   3.573   7.831 -2.7026  1.9864  1.2649
+ 2077SOL     OW 7802   3.001   3.137   0.960 -0.5173 -0.0921 -0.1703
+ 2077SOL    HW1 7803   3.070   3.151   0.895  0.7944  3.2002  1.8100
+ 2077SOL    HW2 7804   3.039   3.074   1.022  0.1837  0.6123  0.1272
+ 2078SOL     OW 7805   7.798   2.756   7.411 -0.0885 -0.2376 -0.0666
+ 2078SOL    HW1 7806   7.835   2.843   7.421 -0.7416  0.1654 -1.1618
+ 2078SOL    HW2 7807   7.716   2.769   7.364 -1.4404 -1.1648  1.9647
+ 2079SOL     OW 7808   0.965   4.540   7.477  0.3027  0.4835  0.3543
+ 2079SOL    HW1 7809   0.903   4.490   7.530 -0.0272  0.3172 -0.1865
+ 2079SOL    HW2 7810   1.026   4.577   7.541 -0.9394  1.4929  1.0005
+ 2080SOL     OW 7811   1.391   3.768   0.427  0.1871 -0.6117 -0.4674
+ 2080SOL    HW1 7812   1.379   3.815   0.345 -2.0235 -0.4308 -0.0772
+ 2080SOL    HW2 7813   1.478   3.794   0.458  0.4985  0.3099 -2.0887
+ 2081SOL     OW 7814   2.185   2.845   6.503 -0.2130 -0.4563 -0.0500
+ 2081SOL    HW1 7815   2.163   2.935   6.479  1.7212 -0.1564 -0.8535
+ 2081SOL    HW2 7816   2.125   2.823   6.573 -0.7961  1.4362  0.0646
+ 2082SOL     OW 7817   6.187   4.132   7.329  0.0169 -0.2666 -0.1776
+ 2082SOL    HW1 7818   6.269   4.118   7.375 -0.7887 -0.6634  1.1662
+ 2082SOL    HW2 7819   6.183   4.226   7.315 -0.8163  0.1711  2.6799
+ 2083SOL     OW 7820   2.921   3.236   7.190  0.4489  0.3640  0.0409
+ 2083SOL    HW1 7821   2.836   3.197   7.210  1.5605 -1.8989  0.5444
+ 2083SOL    HW2 7822   2.918   3.251   7.095 -0.0186 -1.0203 -0.1880
+ 2084SOL     OW 7823   1.073   1.969   0.264  0.3998  0.1288 -0.3422
+ 2084SOL    HW1 7824   1.145   1.909   0.284 -0.8386 -1.2699  0.0261
+ 2084SOL    HW2 7825   1.038   1.937   0.181  0.5294  1.1150 -0.7792
+ 2085SOL     OW 7826   0.318   3.065   2.623 -0.0583 -0.8069 -0.1561
+ 2085SOL    HW1 7827   0.345   3.136   2.682  0.9774 -1.0733 -0.3043
+ 2085SOL    HW2 7828   0.325   3.104   2.535  0.2152 -0.9934 -0.2171
+ 2086SOL     OW 7829   1.566   4.140   0.479 -0.1228 -0.5076 -0.3853
+ 2086SOL    HW1 7830   1.617   4.064   0.449  0.9518  0.2529 -0.5159
+ 2086SOL    HW2 7831   1.504   4.104   0.543 -0.0070 -1.5787 -0.8598
+ 2087SOL     OW 7832   7.563   2.216   0.205  0.3433 -0.1692 -0.3422
+ 2087SOL    HW1 7833   7.654   2.207   0.234  0.3227  0.3543 -0.1122
+ 2087SOL    HW2 7834   7.516   2.248   0.282 -0.1926 -1.2079 -0.2253
+ 2088SOL     OW 7835   0.696   1.994   1.250  0.2970  0.5566  0.1028
+ 2088SOL    HW1 7836   0.704   2.033   1.163  0.0181 -0.0185 -0.1844
+ 2088SOL    HW2 7837   0.643   2.057   1.300  1.4425  1.4480  0.2070
+ 2089SOL     OW 7838   3.060   3.288   5.937 -0.0915  0.0958  0.4454
+ 2089SOL    HW1 7839   3.140   3.274   5.887  0.4106 -1.0514  1.5526
+ 2089SOL    HW2 7840   3.021   3.201   5.945 -0.8823  0.4821  0.8639
+ 2090SOL     OW 7841   2.211   2.405   6.022  0.1317 -0.1464 -0.2177
+ 2090SOL    HW1 7842   2.207   2.446   6.109  0.7040  0.0459 -0.2828
+ 2090SOL    HW2 7843   2.265   2.327   6.036  0.7186  0.2001 -0.5243
+ 2091SOL     OW 7844   0.874   2.369   0.987  0.0124 -0.0338 -0.3345
+ 2091SOL    HW1 7845   0.868   2.443   1.046  0.1743 -1.5634  1.6634
+ 2091SOL    HW2 7846   0.786   2.362   0.949  0.1862  1.5664 -1.0469
+ 2092SOL     OW 7847   0.642   3.288   7.900  0.4393  0.1224 -0.6469
+ 2092SOL    HW1 7848   0.719   3.232   7.905 -0.9220 -1.6248  2.3318
+ 2092SOL    HW2 7849   0.612   3.280   7.810  1.7860 -1.9255 -0.9386
+ 2093SOL     OW 7850   0.446   2.424   0.312 -0.6021 -0.0762 -0.0756
+ 2093SOL    HW1 7851   0.480   2.513   0.316  0.3417 -0.4404  0.1394
+ 2093SOL    HW2 7852   0.418   2.404   0.401 -2.0819  0.4888 -0.4050
+ 2094SOL     OW 7853   0.427   4.156   0.766 -0.1787  0.0889  0.0113
+ 2094SOL    HW1 7854   0.337   4.175   0.791  0.3703  1.3925  1.0499
+ 2094SOL    HW2 7855   0.435   4.191   0.677 -0.5261  0.4750  0.1313
+ 2095SOL     OW 7856   0.653   3.605   6.836  0.1493  0.6278 -0.8595
+ 2095SOL    HW1 7857   0.605   3.630   6.915  0.2330  0.2357 -0.6843
+ 2095SOL    HW2 7858   0.594   3.626   6.764 -0.3664 -0.0483 -0.6359
+ 2096SOL     OW 7859   1.937   2.275   6.095  0.3108  0.0185  0.1601
+ 2096SOL    HW1 7860   2.010   2.216   6.114  0.2239 -0.1659 -0.0845
+ 2096SOL    HW2 7861   1.974   2.343   6.040  0.5594  0.5432  0.9778
+ 2097SOL     OW 7862   1.900   0.425   7.260 -0.1621 -0.5087 -0.0989
+ 2097SOL    HW1 7863   1.864   0.422   7.348 -1.4371  1.1609 -0.5499
+ 2097SOL    HW2 7864   1.980   0.476   7.269 -0.1073 -0.6349  0.1451
+ 2098SOL     OW 7865   1.669   2.194   7.630  0.7380 -0.4695 -0.0231
+ 2098SOL    HW1 7866   1.648   2.231   7.715  3.4443  1.3400 -0.0821
+ 2098SOL    HW2 7867   1.626   2.108   7.630 -0.4517  0.0701  2.5843
+ 2099SOL     OW 7868   1.704   2.043   0.283 -0.2068  0.2156 -0.4531
+ 2099SOL    HW1 7869   1.690   2.128   0.241  1.8322 -0.1523 -2.0023
+ 2099SOL    HW2 7870   1.786   2.011   0.245  0.0807 -1.5677  1.5615
+ 2100SOL     OW 7871   1.165   3.662   0.059  0.3969  0.0512  0.2337
+ 2100SOL    HW1 7872   1.212   3.745   0.050  1.6110 -0.4459  1.8026
+ 2100SOL    HW2 7873   1.234   3.596   0.059 -0.5764 -0.9944 -1.2120
+ 2101SOL     OW 7874   7.914   4.118   6.644 -0.3259 -0.7425  0.6184
+ 2101SOL    HW1 7875   7.840   4.137   6.701  0.1571 -1.2915  1.4401
+ 2101SOL    HW2 7876   7.899   4.029   6.613  0.8391 -1.4938  2.1435
+ 2102SOL     OW 7877   0.645   2.403   5.571 -0.3427 -0.5478 -0.6578
+ 2102SOL    HW1 7878   0.736   2.409   5.542 -0.1170  0.1122  0.1611
+ 2102SOL    HW2 7879   0.650   2.356   5.654 -0.7423 -0.5171 -0.6174
+ 2103SOL     OW 7880   0.654   2.552   7.882  0.2789 -0.9142 -0.0990
+ 2103SOL    HW1 7881   0.630   2.499   7.958  0.4436 -1.9244 -0.7573
+ 2103SOL    HW2 7882   0.748   2.543   7.874  0.4195  0.1307  0.2685
+ 2104SOL     OW 7883   3.460   2.671   6.003  0.2514  0.2779 -0.0876
+ 2104SOL    HW1 7884   3.516   2.736   6.044 -2.6153  1.7314  1.6346
+ 2104SOL    HW2 7885   3.468   2.593   6.058 -0.0443  0.7445  0.6122
+ 2105SOL     OW 7886   0.626   4.167   7.607  0.1857 -0.3558 -0.2702
+ 2105SOL    HW1 7887   0.645   4.185   7.515  1.2974 -0.4747 -0.0781
+ 2105SOL    HW2 7888   0.568   4.238   7.634  0.2545 -0.0451 -0.9310
+ 2106SOL     OW 7889   2.691   4.653   6.706 -0.1242 -0.1314  0.3228
+ 2106SOL    HW1 7890   2.692   4.676   6.799  0.9082 -2.6372  0.9881
+ 2106SOL    HW2 7891   2.763   4.704   6.668  0.4313 -0.2412  1.2131
+ 2107SOL     OW 7892   1.755   3.827   5.837 -0.0438  0.1902 -1.2491
+ 2107SOL    HW1 7893   1.776   3.919   5.847 -1.6830  0.6060 -1.4736
+ 2107SOL    HW2 7894   1.667   3.826   5.799 -1.1407 -1.4826  1.2234
+ 2108SOL     OW 7895   0.282   3.185   7.409  0.1939  0.4887  0.3235
+ 2108SOL    HW1 7896   0.261   3.249   7.477  1.7958 -1.9486  3.2314
+ 2108SOL    HW2 7897   0.361   3.218   7.368  0.6426  0.7465  1.3687
+ 2109SOL     OW 7898   1.251   2.994   7.568  0.8240 -0.5989  0.3653
+ 2109SOL    HW1 7899   1.166   3.009   7.526  0.6841 -0.5282  0.6768
+ 2109SOL    HW2 7900   1.284   3.082   7.589  0.8523 -0.6403  0.4919
+ 2110SOL     OW 7901   1.152   2.537   0.938 -0.2339  0.4822  0.3590
+ 2110SOL    HW1 7902   1.170   2.492   0.855  0.4725  0.5280  0.4802
+ 2110SOL    HW2 7903   1.101   2.474   0.989 -0.3917  0.3285  0.0136
+ 2111SOL     OW 7904   6.645   3.653   1.285 -0.3968  0.6080 -0.0726
+ 2111SOL    HW1 7905   6.635   3.606   1.202  0.0160  1.1351 -0.4231
+ 2111SOL    HW2 7906   6.673   3.741   1.260 -0.4244  0.8164  0.6182
+ 2112SOL     OW 7907   0.781   1.306   7.062  0.9467 -0.2634  0.6278
+ 2112SOL    HW1 7908   0.777   1.211   7.072  1.4701 -0.3861 -0.2595
+ 2112SOL    HW2 7909   0.693   1.336   7.082  0.4911 -1.0473 -0.1452
+ 2113SOL     OW 7910   7.522   3.100   2.442 -0.0118  0.3412  0.1894
+ 2113SOL    HW1 7911   7.530   3.022   2.387 -1.9072  0.0164  0.3251
+ 2113SOL    HW2 7912   7.543   3.173   2.383 -0.7113 -0.1020 -0.6217
+ 2114SOL     OW 7913   1.901   4.026   7.874  0.2839 -0.1451  0.2437
+ 2114SOL    HW1 7914   1.967   3.970   7.834 -0.7695 -1.6726  0.6287
+ 2114SOL    HW2 7915   1.821   4.007   7.826 -0.8366 -1.4481  2.5520
+ 2115SOL     OW 7916   2.415   3.642   6.401 -0.0071 -0.7721  0.0626
+ 2115SOL    HW1 7917   2.353   3.575   6.372 -2.6497  1.6946 -0.2340
+ 2115SOL    HW2 7918   2.378   3.674   6.484  1.0937  0.4657  0.0911
+ 2116SOL     OW 7919   2.478   3.373   7.577  0.1205 -0.2207  0.3293
+ 2116SOL    HW1 7920   2.438   3.367   7.663 -1.1805  0.4499 -0.2126
+ 2116SOL    HW2 7921   2.447   3.456   7.542  3.0841  0.9785  0.4223
+ 2117SOL     OW 7922   1.239   2.496   0.609  0.2441 -0.2823 -0.3548
+ 2117SOL    HW1 7923   1.315   2.495   0.550  0.3917 -2.2291 -0.1493
+ 2117SOL    HW2 7924   1.238   2.409   0.648 -0.8420  0.4431  1.2772
+ 2118SOL     OW 7925   2.216   3.578   6.827  0.5358 -0.5797 -0.9726
+ 2118SOL    HW1 7926   2.283   3.515   6.802  0.3909 -0.6008 -1.3108
+ 2118SOL    HW2 7927   2.265   3.655   6.855  0.6976  0.0247 -2.8269
+ 2119SOL     OW 7928   7.859   3.648   1.115  0.3998 -0.1495  0.4402
+ 2119SOL    HW1 7929   7.834   3.559   1.093  0.6681 -0.2448  0.5214
+ 2119SOL    HW2 7930   7.950   3.656   1.086  0.0224  0.4606 -0.6358
+ 2120SOL     OW 7931   1.262   1.538   1.118 -0.2400 -0.1059 -0.1339
+ 2120SOL    HW1 7932   1.243   1.455   1.162 -3.2012  0.9380  0.7073
+ 2120SOL    HW2 7933   1.271   1.601   1.189 -0.4346  0.7316 -0.8478
+ 2121SOL     OW 7934   0.732   1.898   0.233 -0.1675 -0.2405 -0.6741
+ 2121SOL    HW1 7935   0.654   1.850   0.209  0.2491 -0.3496 -1.8166
+ 2121SOL    HW2 7936   0.799   1.870   0.171  0.3892  0.9451 -0.6325
+ 2122SOL     OW 7937   0.653   3.937   7.877  0.4940  0.0267  0.3287
+ 2122SOL    HW1 7938   0.631   3.844   7.880 -0.2911  0.1652 -0.9242
+ 2122SOL    HW2 7939   0.746   3.940   7.900  0.3353 -0.9863  1.1602
+ 2123SOL     OW 7940   0.497   5.602   6.494 -0.3318  0.2771  0.4370
+ 2123SOL    HW1 7941   0.580   5.570   6.529 -0.3531  0.9920  1.1739
+ 2123SOL    HW2 7942   0.521   5.681   6.444 -0.2113 -1.1219 -1.7753
+ 2124SOL     OW 7943   7.568   6.177   0.414  0.1407  0.7486  0.3639
+ 2124SOL    HW1 7944   7.570   6.182   0.509  0.7439  0.8742  0.3489
+ 2124SOL    HW2 7945   7.583   6.267   0.384  1.2189  0.5045  0.1482
+ 2125SOL     OW 7946   7.806   3.229   0.467 -0.3379  0.1182  0.6785
+ 2125SOL    HW1 7947   7.858   3.189   0.537  1.0183 -1.0081 -0.9225
+ 2125SOL    HW2 7948   7.856   3.307   0.441 -0.4975  0.1705  0.5262
+ 2126SOL     OW 7949   2.448   7.682   0.398  0.1478  0.0939  0.7025
+ 2126SOL    HW1 7950   2.423   7.687   0.305  1.3370 -1.4160  0.2801
+ 2126SOL    HW2 7951   2.413   7.762   0.436  0.8480  1.4344 -1.3464
+ 2127SOL     OW 7952   1.929   6.124   1.668 -0.2969 -0.2656 -0.3371
+ 2127SOL    HW1 7953   1.959   6.093   1.754  0.8297 -0.1469 -0.6765
+ 2127SOL    HW2 7954   1.959   6.057   1.607  1.7684  1.2541 -1.0273
+ 2128SOL     OW 7955   1.687   3.898   0.168 -0.0974  0.4347 -0.2939
+ 2128SOL    HW1 7956   1.618   3.959   0.143 -2.3384 -1.1067  1.8872
+ 2128SOL    HW2 7957   1.742   3.947   0.229 -0.4624  1.0487 -0.4562
+ 2129SOL     OW 7958   1.487   4.681   0.253 -0.1207  0.1406  0.3712
+ 2129SOL    HW1 7959   1.572   4.674   0.298 -0.1680 -1.4791  0.2475
+ 2129SOL    HW2 7960   1.437   4.743   0.305  1.3255  1.5179  0.1533
+ 2130SOL     OW 7961   1.108   6.179   1.304  0.2824  0.1711  0.1300
+ 2130SOL    HW1 7962   1.096   6.214   1.216  1.9116 -0.6249 -0.4434
+ 2130SOL    HW2 7963   1.161   6.100   1.291 -2.1117 -1.7335  1.5276
+ 2131SOL     OW 7964   1.998   3.708   2.234  0.0393  0.3997 -0.5735
+ 2131SOL    HW1 7965   2.022   3.672   2.149 -1.2469  0.2786 -0.9029
+ 2131SOL    HW2 7966   2.026   3.641   2.297 -0.2516 -0.1411 -1.0117
+ 2132SOL     OW 7967   0.570   3.817   2.462  0.1631  0.1044 -0.2688
+ 2132SOL    HW1 7968   0.665   3.816   2.454 -0.0257  1.4617 -2.9195
+ 2132SOL    HW2 7969   0.541   3.739   2.414 -0.2281  1.4714 -2.3002
+ 2133SOL     OW 7970   0.138   3.690   0.227 -0.0257  0.3437  0.8537
+ 2133SOL    HW1 7971   0.056   3.708   0.182  0.2323 -0.8309 -0.1272
+ 2133SOL    HW2 7972   0.192   3.767   0.211  0.4554 -0.4991 -1.7955
+ 2134SOL     OW 7973   2.055   5.530   1.168 -0.1688  0.4060  0.2241
+ 2134SOL    HW1 7974   1.972   5.485   1.151  0.3468 -0.5322  0.1567
+ 2134SOL    HW2 7975   2.029   5.618   1.196 -1.1648  0.3767 -0.5578
+ 2135SOL     OW 7976   0.033   4.299   2.783  0.1648 -0.1091  0.1736
+ 2135SOL    HW1 7977   0.007   4.386   2.813 -0.6965  0.0671 -1.0410
+ 2135SOL    HW2 7978   0.129   4.303   2.779  0.1019  0.9609 -0.3628
+ 2136SOL     OW 7979   7.856   5.234   2.479  0.1057 -0.1619 -0.2163
+ 2136SOL    HW1 7980   7.794   5.185   2.534 -1.1439  2.4243  0.7549
+ 2136SOL    HW2 7981   7.941   5.200   2.504 -0.4701  0.6153  3.0876
+ 2137SOL     OW 7982   0.677   4.284   7.376  0.0808  0.3039 -0.2839
+ 2137SOL    HW1 7983   0.602   4.279   7.316  0.9418  0.2611 -1.3691
+ 2137SOL    HW2 7984   0.703   4.376   7.373  0.1957  0.2778 -0.0677
+ 2138SOL     OW 7985   2.387   6.740   0.688 -0.2428 -0.1565 -0.6742
+ 2138SOL    HW1 7986   2.469   6.714   0.730 -0.4718  0.6768  0.2982
+ 2138SOL    HW2 7987   2.343   6.794   0.753 -0.7897  0.8259 -1.8524
+ 2139SOL     OW 7988   1.042   4.909   1.578  0.4373 -0.4429 -0.2800
+ 2139SOL    HW1 7989   1.092   4.945   1.505  2.8442  1.7564  2.3252
+ 2139SOL    HW2 7990   0.981   4.980   1.601  0.8133 -0.4954  0.8723
+ 2140SOL     OW 7991   0.937   5.217   3.050 -0.1105  0.4578 -0.0971
+ 2140SOL    HW1 7992   0.952   5.308   3.076  0.7738  0.2792  0.0389
+ 2140SOL    HW2 7993   1.021   5.189   3.014 -0.2239 -0.4697  0.3595
+ 2141SOL     OW 7994   7.607   3.694   0.962  0.2341 -0.1935  0.6544
+ 2141SOL    HW1 7995   7.586   3.613   1.010  3.0192 -1.2228  0.2232
+ 2141SOL    HW2 7996   7.682   3.731   1.008 -0.1393  1.4146  0.0037
+ 2142SOL     OW 7997   1.476   4.442   1.835 -0.1790 -0.2915 -0.4666
+ 2142SOL    HW1 7998   1.393   4.401   1.810 -0.7867  1.4421 -1.3219
+ 2142SOL    HW2 7999   1.452   4.525   1.875  1.1013 -0.3166  0.4091
+ 2143SOL     OW 8000   0.242   5.303   6.541  0.0356 -0.3445  0.3771
+ 2143SOL    HW1 8001   0.308   5.251   6.587  0.5475 -1.3720 -1.4585
+ 2143SOL    HW2 8002   0.159   5.281   6.585  0.8204  0.6481  2.4314
+ 2144SOL     OW 8003   1.569   2.637   0.973  0.6994  0.4015  0.0793
+ 2144SOL    HW1 8004   1.501   2.667   1.033 -0.0514  1.1920 -1.1463
+ 2144SOL    HW2 8005   1.593   2.715   0.923 -0.6752 -0.8158 -2.5741
+ 2145SOL     OW 8006   6.881   4.222   1.037  0.1317  0.2477 -0.1314
+ 2145SOL    HW1 8007   6.973   4.233   1.062  0.5206  1.4228 -1.9783
+ 2145SOL    HW2 8008   6.838   4.193   1.118  1.3933  3.6431  1.8735
+ 2146SOL     OW 8009   2.957   7.812   7.234  0.0564 -0.5621  0.2956
+ 2146SOL    HW1 8010   3.018   7.880   7.261 -1.2014  0.8369 -0.3518
+ 2146SOL    HW2 8011   3.012   7.744   7.194  0.9257  2.1280 -3.2903
+ 2147SOL     OW 8012   0.876   5.175   0.543  0.4268 -0.4941 -0.2873
+ 2147SOL    HW1 8013   0.966   5.202   0.528  0.3309  0.2199  0.4312
+ 2147SOL    HW2 8014   0.883   5.102   0.605  0.6103 -1.4565 -1.4228
+ 2148SOL     OW 8015   2.244   3.974   0.349 -0.0490  0.6955 -0.0091
+ 2148SOL    HW1 8016   2.325   4.013   0.315  1.5619 -2.6303 -0.1998
+ 2148SOL    HW2 8017   2.238   4.007   0.439  1.6123  0.8654  0.0586
+ 2149SOL     OW 8018   1.757   3.643   7.800 -0.2311 -0.4675  0.7688
+ 2149SOL    HW1 8019   1.845   3.620   7.767 -0.3683 -0.2756  0.2595
+ 2149SOL    HW2 8020   1.718   3.695   7.729 -0.3639  0.3481  1.4298
+ 2150SOL     OW 8021   7.892   3.640   3.003 -0.1561 -0.4345  0.1222
+ 2150SOL    HW1 8022   7.929   3.643   3.091 -0.6055  0.4765  0.2823
+ 2150SOL    HW2 8023   7.968   3.649   2.945  0.1499 -1.1435  0.4106
+ 2151SOL     OW 8024   0.589   5.225   1.931 -0.1250 -0.2935 -0.1293
+ 2151SOL    HW1 8025   0.596   5.294   1.865 -0.3713 -0.8368 -0.7228
+ 2151SOL    HW2 8026   0.596   5.272   2.015  3.8476 -0.0142 -0.5289
+ 2152SOL     OW 8027   1.169   5.328   2.274 -0.3585  0.0980 -0.1552
+ 2152SOL    HW1 8028   1.237   5.285   2.222  0.7049  0.0387  1.2211
+ 2152SOL    HW2 8029   1.089   5.318   2.224  0.6517  0.1182 -1.7998
+ 2153SOL     OW 8030   1.292   4.620   6.418 -0.4027  0.1841 -0.3258
+ 2153SOL    HW1 8031   1.333   4.677   6.483 -0.1250  0.3306 -0.6257
+ 2153SOL    HW2 8032   1.239   4.679   6.364  0.3923  0.2634 -1.0377
+ 2154SOL     OW 8033   0.984   5.260   1.360  0.1935  0.0073 -0.2092
+ 2154SOL    HW1 8034   0.935   5.230   1.436  0.9874  1.7534  1.0087
+ 2154SOL    HW2 8035   0.947   5.210   1.287 -0.8204 -1.4197  1.2458
+ 2155SOL     OW 8036   1.873   2.528   0.509  0.3969 -0.2381  0.1681
+ 2155SOL    HW1 8037   1.835   2.472   0.441  0.7479 -1.9454  1.3499
+ 2155SOL    HW2 8038   1.797   2.561   0.558  0.2198 -0.1671 -0.1507
+ 2156SOL     OW 8039   1.670   6.759   7.754  0.5148  0.3623  0.1143
+ 2156SOL    HW1 8040   1.664   6.663   7.759  1.6225  0.2584 -0.3584
+ 2156SOL    HW2 8041   1.746   6.775   7.699 -1.3867  1.5237 -2.2322
+ 2157SOL     OW 8042   7.910   5.162   2.987  0.4797 -0.2847  0.3055
+ 2157SOL    HW1 8043   7.838   5.224   2.994 -0.7953 -1.6153 -0.6540
+ 2157SOL    HW2 8044   7.869   5.081   2.958  2.6493 -0.4720 -2.4646
+ 2158SOL     OW 8045   2.850   4.025   1.978  0.1477 -0.1649  0.8071
+ 2158SOL    HW1 8046   2.819   4.060   1.895 -2.3249 -1.6049  1.0856
+ 2158SOL    HW2 8047   2.855   4.102   2.036 -1.3496  0.3452  0.2787
+ 2159SOL     OW 8048   0.385   4.684   0.431 -0.1015  0.1887 -0.3398
+ 2159SOL    HW1 8049   0.371   4.591   0.410 -1.7330  0.8863 -2.5448
+ 2159SOL    HW2 8050   0.387   4.728   0.346 -1.7419  2.4727  0.7417
+ 2160SOL     OW 8051   1.109   5.689   0.557  0.1207  0.3534  0.4046
+ 2160SOL    HW1 8052   1.066   5.769   0.588  1.1530  0.5040  1.4867
+ 2160SOL    HW2 8053   1.043   5.620   0.569 -1.4023  1.2796 -2.1462
+ 2161SOL     OW 8054   7.844   4.871   0.533  0.1466 -0.0423 -0.4838
+ 2161SOL    HW1 8055   7.918   4.813   0.552 -0.3960 -1.0724 -1.4205
+ 2161SOL    HW2 8056   7.873   4.922   0.458  1.0420  1.6948  1.0260
+ 2162SOL     OW 8057   1.742   5.205   1.726 -0.0131  0.1138  0.6700
+ 2162SOL    HW1 8058   1.796   5.274   1.688  0.7631  1.1360  3.5107
+ 2162SOL    HW2 8059   1.789   5.179   1.805 -0.2643 -3.7274 -0.3270
+ 2163SOL     OW 8060   0.886   5.488   1.683  0.0180 -0.5625  0.8729
+ 2163SOL    HW1 8061   0.971   5.530   1.669 -0.5662  0.1178 -0.7730
+ 2163SOL    HW2 8062   0.904   5.395   1.683  0.6568 -0.4434 -0.3395
+ 2164SOL     OW 8063   0.237   4.945   2.348  0.5523 -0.4485  0.4061
+ 2164SOL    HW1 8064   0.158   4.909   2.388  0.3126  1.8114  2.0000
+ 2164SOL    HW2 8065   0.205   5.010   2.286  1.1043 -0.7085 -0.1561
+ 2165SOL     OW 8066   2.349   4.359   2.592 -0.8415  0.1565 -0.3943
+ 2165SOL    HW1 8067   2.325   4.288   2.534  1.6592 -0.8308 -0.2994
+ 2165SOL    HW2 8068   2.345   4.322   2.680 -0.2221  0.3048 -0.2943
+ 2166SOL     OW 8069   0.603   5.174   0.734  0.1290 -0.1766  0.1271
+ 2166SOL    HW1 8070   0.667   5.103   0.724  0.7512  0.2194  1.1729
+ 2166SOL    HW2 8071   0.523   5.140   0.694  0.2789 -1.6615  1.0400
+ 2167SOL     OW 8072   1.681   4.067   0.922 -0.1639 -0.3096 -0.4059
+ 2167SOL    HW1 8073   1.588   4.051   0.940 -0.0400 -1.4410 -0.7677
+ 2167SOL    HW2 8074   1.724   4.060   1.007 -0.6231  1.9035  0.0547
+ 2168SOL     OW 8075   0.355   3.962   2.541  0.1784  0.2423  0.7371
+ 2168SOL    HW1 8076   0.435   3.920   2.507 -1.4893 -3.3304  1.0198
+ 2168SOL    HW2 8077   0.377   3.983   2.632  1.9092  2.4312 -0.1361
+ 2169SOL     OW 8078   0.376   5.863   1.993 -0.1543 -0.2799  0.1036
+ 2169SOL    HW1 8079   0.350   5.890   1.905 -0.5618  1.3590  0.7117
+ 2169SOL    HW2 8080   0.308   5.898   2.050  0.1039 -1.3385  1.0703
+ 2170SOL     OW 8081   0.274   4.815   1.828 -0.1334  0.1490 -0.1089
+ 2170SOL    HW1 8082   0.242   4.770   1.906  0.3576  1.8214  1.0978
+ 2170SOL    HW2 8083   0.361   4.846   1.851  0.3135  0.0470 -1.5782
+ 2171SOL     OW 8084   3.113   4.393   0.404  0.2782 -0.4832 -0.4476
+ 2171SOL    HW1 8085   3.191   4.373   0.455  0.8759 -0.0348 -1.1682
+ 2171SOL    HW2 8086   3.041   4.351   0.451  1.1424 -2.0406 -0.4877
+ 2172SOL     OW 8087   2.056   5.318   7.784  0.1699  0.3413 -0.3177
+ 2172SOL    HW1 8088   2.054   5.371   7.864 -1.7127 -0.3428  0.1253
+ 2172SOL    HW2 8089   2.113   5.244   7.805  2.7868  2.1368 -0.9328
+ 2173SOL     OW 8090   1.343   5.182   2.143  0.7935 -0.2078  0.2169
+ 2173SOL    HW1 8091   1.387   5.194   2.059  2.1299  0.9406  1.0646
+ 2173SOL    HW2 8092   1.340   5.087   2.155  0.6408 -0.3699 -1.1024
+ 2174SOL     OW 8093   0.512   4.513   1.814  0.1557  0.3468  0.3620
+ 2174SOL    HW1 8094   0.440   4.481   1.868 -2.0937  2.7148 -1.0664
+ 2174SOL    HW2 8095   0.495   4.607   1.806  1.9345  0.4906 -2.2281
+ 2175SOL     OW 8096   0.885   4.038   2.061 -0.0502 -0.2854 -0.0766
+ 2175SOL    HW1 8097   0.802   4.038   2.109  0.4864 -0.6143  0.8625
+ 2175SOL    HW2 8098   0.910   3.946   2.055  0.5265 -0.1453  0.1333
+ 2176SOL     OW 8099   0.210   3.931   3.430 -0.4080 -0.4745  0.1460
+ 2176SOL    HW1 8100   0.204   3.970   3.343  1.4830  0.3787  0.3844
+ 2176SOL    HW2 8101   0.124   3.890   3.443 -1.3761  1.0125 -1.3339
+ 2177SOL     OW 8102   1.550   4.488   0.024 -0.2410 -0.2553 -0.5581
+ 2177SOL    HW1 8103   1.546   4.583   0.031 -0.9864 -0.3293  0.1202
+ 2177SOL    HW2 8104   1.460   4.459   0.036  0.2508 -1.1573  1.2180
+ 2178SOL     OW 8105   1.494   3.850   2.353  0.3175 -0.1136 -0.0232
+ 2178SOL    HW1 8106   1.436   3.922   2.326 -0.8651 -1.4607 -1.1353
+ 2178SOL    HW2 8107   1.452   3.813   2.430  0.5724 -0.0590  0.1445
+ 2179SOL     OW 8108   7.194   4.953   1.784 -0.5705 -0.1333 -0.7158
+ 2179SOL    HW1 8109   7.163   4.920   1.869  0.3518  0.4648 -0.1345
+ 2179SOL    HW2 8110   7.146   5.035   1.772 -0.7973 -0.2839 -0.8320
+ 2180SOL     OW 8111   1.444   5.704   7.540 -0.3380 -0.1468 -0.7053
+ 2180SOL    HW1 8112   1.508   5.774   7.526 -0.6751  0.1414 -0.8005
+ 2180SOL    HW2 8113   1.453   5.680   7.632  0.9231 -1.0977 -1.0642
+ 2181SOL     OW 8114   0.790   2.646   1.073  0.1656 -0.2822 -0.0979
+ 2181SOL    HW1 8115   0.707   2.692   1.059  0.2684  0.0512  0.4044
+ 2181SOL    HW2 8116   0.789   2.621   1.165 -0.2838 -2.0605 -0.5741
+ 2182SOL     OW 8117   3.617   3.847   0.351 -0.1276 -0.0008  0.1186
+ 2182SOL    HW1 8118   3.567   3.813   0.425  0.0674 -0.7561 -0.0969
+ 2182SOL    HW2 8119   3.638   3.937   0.376  0.1603 -0.3347  1.0837
+ 2183SOL     OW 8120   0.128   3.980   1.038  0.0061 -0.4078  0.0980
+ 2183SOL    HW1 8121   0.173   3.921   0.978  2.0990  1.0060  0.1993
+ 2183SOL    HW2 8122   0.173   3.968   1.121  0.1193  0.9467  0.2416
+ 2184SOL     OW 8123   1.125   3.213   2.385  0.0314  0.1251  0.6877
+ 2184SOL    HW1 8124   1.218   3.193   2.380  0.0884  0.1466  1.6579
+ 2184SOL    HW2 8125   1.105   3.214   2.478 -1.0135 -0.2244  0.4793
+ 2185SOL     OW 8126   7.984   3.674   2.187 -0.2848 -0.2380 -0.2178
+ 2185SOL    HW1 8127   7.964   3.730   2.112  0.4891 -3.2235 -2.7449
+ 2185SOL    HW2 8128   8.071   3.702   2.215 -0.7536  1.1794 -0.0946
+ 2186SOL     OW 8129   0.281   4.237   2.429 -0.4839 -0.7111 -0.0121
+ 2186SOL    HW1 8130   0.352   4.299   2.449  0.0641 -0.3677 -2.8272
+ 2186SOL    HW2 8131   0.273   4.184   2.508  1.2585  0.8356  1.2593
+ 2187SOL     OW 8132   7.113   2.526   1.447 -0.4014  0.1995 -0.2751
+ 2187SOL    HW1 8133   7.113   2.466   1.521  0.7526  1.2719  0.6315
+ 2187SOL    HW2 8134   7.169   2.484   1.382 -0.0421  0.0364  0.1383
+ 2188SOL     OW 8135   1.577   3.626   1.079  0.4757 -0.2158  0.1692
+ 2188SOL    HW1 8136   1.517   3.556   1.051  0.7172 -0.4390  0.2024
+ 2188SOL    HW2 8137   1.661   3.601   1.041  0.2337  0.8578 -1.1150
+ 2189SOL     OW 8138   0.485   4.850   0.606  0.2105 -0.1933 -0.2473
+ 2189SOL    HW1 8139   0.418   4.795   0.566 -0.0289 -1.2134  1.4709
+ 2189SOL    HW2 8140   0.448   4.938   0.605 -0.0932 -0.3260 -1.5705
+ 2190SOL     OW 8141   7.042   5.559   0.944  0.2092 -0.3517 -0.4860
+ 2190SOL    HW1 8142   7.046   5.555   1.040  0.4408  1.9409 -0.3566
+ 2190SOL    HW2 8143   6.960   5.516   0.921 -0.4012  0.0623  0.8532
+ 2191SOL     OW 8144   7.782   5.398   0.194 -0.1026 -0.2881 -0.0646
+ 2191SOL    HW1 8145   7.745   5.478   0.231 -0.1346  0.2519 -1.2415
+ 2191SOL    HW2 8146   7.875   5.419   0.179  0.7611 -1.6569  2.9397
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+ 2192SOL    HW1 8148   2.974   4.877   1.881  0.2308  1.1675 -0.3470
+ 2192SOL    HW2 8149   2.887   4.923   1.996 -0.3022 -1.9281  0.5260
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+ 2193SOL    HW1 8151   2.010   4.451   7.546 -0.7028  0.2760  1.1750
+ 2193SOL    HW2 8152   1.937   4.319   7.562 -1.8173  0.9553  1.7726
+ 2194SOL     OW 8153   7.863   4.724   1.969  0.6814 -0.6697 -0.2806
+ 2194SOL    HW1 8154   7.952   4.730   1.933  0.4234  0.1858 -0.7823
+ 2194SOL    HW2 8155   7.854   4.801   2.023  0.4118 -1.0151  0.1662
+ 2195SOL     OW 8156   1.529   3.450   6.503 -0.8940 -0.0102 -0.7217
+ 2195SOL    HW1 8157   1.450   3.484   6.544 -1.6307 -0.3453 -1.8447
+ 2195SOL    HW2 8158   1.513   3.459   6.409 -0.3757 -1.8008 -1.0101
+ 2196SOL     OW 8159   2.437   5.374   6.822  0.3812 -0.4381 -0.0738
+ 2196SOL    HW1 8160   2.352   5.411   6.845  0.3155 -1.3037  1.1384
+ 2196SOL    HW2 8161   2.456   5.312   6.893  1.2221 -1.5198 -1.2255
+ 2197SOL     OW 8162   7.807   4.428   0.019 -0.3822  0.4618  0.1695
+ 2197SOL    HW1 8163   7.804   4.500  -0.044  1.5482 -0.2951 -0.8256
+ 2197SOL    HW2 8164   7.789   4.468   0.104  2.1596  2.3814 -0.1525
+ 2198SOL     OW 8165   2.342   3.016   1.402  0.7975  0.0438 -0.4027
+ 2198SOL    HW1 8166   2.290   3.087   1.439 -0.2566 -0.4383 -0.9569
+ 2198SOL    HW2 8167   2.350   2.952   1.474  1.4520  0.5591 -0.0151
+ 2199SOL     OW 8168   1.221   3.053   2.030  0.6436  0.1095 -0.4153
+ 2199SOL    HW1 8169   1.239   3.007   2.112 -1.3906 -1.4017 -0.7894
+ 2199SOL    HW2 8170   1.306   3.090   2.005  1.4640 -0.0730  1.9495
+ 2200SOL     OW 8171   0.374   5.119   1.456 -0.1254  0.6604 -0.4521
+ 2200SOL    HW1 8172   0.406   5.038   1.496  1.5113  1.2851 -0.4304
+ 2200SOL    HW2 8173   0.336   5.090   1.373  0.7329 -0.1049 -0.5958
+ 2201SOL     OW 8174   6.816   4.118   6.609  0.3999 -0.1001 -0.3275
+ 2201SOL    HW1 8175   6.870   4.192   6.582  0.9117 -0.5718 -0.6049
+ 2201SOL    HW2 8176   6.858   4.087   6.690  1.2908 -1.2418 -1.2066
+ 2202SOL     OW 8177   0.278   5.230   0.987 -0.9432 -1.0869  0.7754
+ 2202SOL    HW1 8178   0.245   5.316   0.962 -1.0327 -1.0557  1.0034
+ 2202SOL    HW2 8179   0.328   5.200   0.911 -2.1102 -1.4506  0.1344
+ 2203SOL     OW 8180   1.624   3.156   6.962 -0.2053 -0.0351 -0.0398
+ 2203SOL    HW1 8181   1.651   3.205   7.040 -1.0378 -0.3328  0.4353
+ 2203SOL    HW2 8182   1.559   3.212   6.920  2.0531  1.3036 -1.9104
+ 2204SOL     OW 8183   7.975   5.982   1.675  0.0858  0.1297 -0.3072
+ 2204SOL    HW1 8184   7.973   5.980   1.579 -1.9983 -0.5125 -0.2629
+ 2204SOL    HW2 8185   7.910   5.918   1.702  0.3041  0.6650  1.5511
+ 2205SOL     OW 8186   0.003   2.980   7.674 -0.5234 -0.5612 -0.3039
+ 2205SOL    HW1 8187  -0.001   2.885   7.680  0.9810 -0.6075  0.1674
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+ 2210SOL    HW1 8202   3.785   5.015   1.054 -0.4203  0.0404  2.5305
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+ 2211SOL     OW 8204   7.107   5.883   7.892 -0.2616  0.7254  0.3478
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+ 2214SOL    HW1 8214   1.043   4.385   0.184  0.0006  0.4777 -0.9067
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+ 2215SOL    HW1 8217   1.194   4.726   1.804 -3.4163 -2.5721  0.1242
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+ 2216SOL    HW1 8220   3.012   4.553   1.300 -1.5296  0.3619 -0.8631
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+ 2217SOL    HW1 8223   4.153   6.917   1.242  0.2631  0.0453  1.2778
+ 2217SOL    HW2 8224   4.275   6.834   1.207 -0.7491 -0.7495 -0.3863
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+ 2218SOL    HW1 8226   1.876   5.079   1.354 -0.6481  0.2201 -0.2432
+ 2218SOL    HW2 8227   1.955   5.206   1.327  1.0746 -0.3016  2.1749
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+ 2220SOL    HW1 8232   7.228   5.327   1.769  0.7004 -1.3574  1.7165
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+ 2252SOL    HW1 8328   7.934   5.104   6.399  0.0407 -1.1174  1.2324
+ 2252SOL    HW2 8329   7.796   5.064   6.447 -1.1064  1.0189 -0.1923
+ 2253SOL     OW 8330   2.310   4.753   0.366  0.3167 -0.2891 -0.4592
+ 2253SOL    HW1 8331   2.300   4.833   0.417 -0.3451  0.6873 -2.0796
+ 2253SOL    HW2 8332   2.232   4.701   0.388  0.0662  0.0965 -0.4324
+ 2254SOL     OW 8333   1.080   4.556   2.030 -0.1527  0.1016 -0.2093
+ 2254SOL    HW1 8334   1.162   4.561   2.079  0.8883  0.3663 -1.9689
+ 2254SOL    HW2 8335   1.045   4.469   2.050 -0.4709  0.7012  2.1104
+ 2255SOL     OW 8336   1.529   2.887   2.010  0.0765  1.0865  0.0083
+ 2255SOL    HW1 8337   1.591   2.952   1.977  2.2481 -0.1687  1.5508
+ 2255SOL    HW2 8338   1.523   2.905   2.103 -0.1958 -0.2001  0.2473
+ 2256SOL     OW 8339   0.186   5.744   6.849 -0.0342  0.1910  0.3595
+ 2256SOL    HW1 8340   0.137   5.668   6.880 -0.3330  0.2433  0.0147
+ 2256SOL    HW2 8341   0.268   5.707   6.816 -0.4205 -0.0555 -0.3536
+ 2257SOL     OW 8342   0.975   5.399   7.911 -0.5619 -0.0295 -0.6397
+ 2257SOL    HW1 8343   1.029   5.477   7.902 -0.0201 -0.4361 -0.8954
+ 2257SOL    HW2 8344   0.885   5.432   7.910 -0.3025  0.8968  2.1880
+ 2258SOL     OW 8345   0.853   4.832   7.630  0.2663  0.5050  0.1606
+ 2258SOL    HW1 8346   0.845   4.879   7.713 -0.0421 -1.4063  1.2320
+ 2258SOL    HW2 8347   0.935   4.783   7.639 -0.6164 -1.0058  0.0086
+ 2259SOL     OW 8348   1.127   3.932   0.747  0.3933  0.2524  0.2415
+ 2259SOL    HW1 8349   1.086   3.909   0.830 -2.2217  1.0443 -0.8031
+ 2259SOL    HW2 8350   1.080   4.009   0.717 -0.6885 -1.7094 -3.4089
+ 2260SOL     OW 8351   1.095   4.823   0.951 -0.2639  0.1519  0.0436
+ 2260SOL    HW1 8352   1.149   4.891   0.911 -0.1483  1.3409  2.1518
+ 2260SOL    HW2 8353   1.153   4.780   1.013 -0.6354 -1.2187 -0.5481
+ 2261SOL     OW 8354   0.843   4.953   0.691  0.4431  0.7501 -0.0572
+ 2261SOL    HW1 8355   0.778   4.903   0.741  0.9675  0.6912  0.5729
+ 2261SOL    HW2 8356   0.908   4.888   0.665  0.9368  1.0280  0.4535
+ 2262SOL     OW 8357   7.893   3.819   1.355 -0.2097  0.9081  0.0365
+ 2262SOL    HW1 8358   7.804   3.809   1.387 -0.1426  0.3756  0.0592
+ 2262SOL    HW2 8359   7.883   3.849   1.264 -0.4216 -0.0991 -0.2741
+ 2263SOL     OW 8360   1.074   3.891   0.447 -0.4535  0.1037  0.1250
+ 2263SOL    HW1 8361   1.013   3.919   0.516 -0.3389 -1.9474  1.1024
+ 2263SOL    HW2 8362   1.026   3.822   0.400  0.1966  0.1921 -0.6816
+ 2264SOL     OW 8363   1.131   3.890   1.629  0.3883 -1.0244  0.9433
+ 2264SOL    HW1 8364   1.127   3.959   1.695 -2.5190 -0.8403  0.6181
+ 2264SOL    HW2 8365   1.218   3.901   1.589  1.6119 -0.2180  3.6826
+ 2265SOL     OW 8366   0.560   4.720   2.573 -0.5620  0.7642  1.0643
+ 2265SOL    HW1 8367   0.564   4.792   2.509  1.0340  1.1310  1.5506
+ 2265SOL    HW2 8368   0.467   4.703   2.584 -0.8865  1.2266 -0.7748
+ 2266SOL     OW 8369   2.637   4.336   0.264  0.0233  0.5427  0.1747
+ 2266SOL    HW1 8370   2.709   4.274   0.256 -0.5721 -0.3359  1.4226
+ 2266SOL    HW2 8371   2.626   4.347   0.359 -2.2400 -0.2298  0.0142
+ 2267SOL     OW 8372   0.965   5.175   0.090 -0.0832  0.0082  0.0079
+ 2267SOL    HW1 8373   0.896   5.177   0.156 -0.5295  0.6036 -0.4721
+ 2267SOL    HW2 8374   0.950   5.253   0.036  2.1200  1.1976  1.0578
+ 2268SOL     OW 8375   0.906   3.779   7.745 -0.1189  0.1227  0.0588
+ 2268SOL    HW1 8376   0.936   3.738   7.826  0.3210 -1.6660 -0.9656
+ 2268SOL    HW2 8377   0.971   3.847   7.728  1.2794 -1.2026 -0.1161
+ 2269SOL     OW 8378   0.872   3.889   1.422 -0.4791 -0.2278 -0.3961
+ 2269SOL    HW1 8379   0.850   3.808   1.467  0.5709  0.0297  0.5847
+ 2269SOL    HW2 8380   0.875   3.955   1.491  0.5834  0.2795 -0.9188
+ 2270SOL     OW 8381   1.611   4.565   7.737  0.3363 -0.8598 -0.4707
+ 2270SOL    HW1 8382   1.567   4.644   7.770  2.9189  1.1562 -1.6691
+ 2270SOL    HW2 8383   1.605   4.503   7.810 -0.1331  1.0737  1.2089
+ 2271SOL     OW 8384   2.349   4.686   1.802  0.0675  0.5334  0.2438
+ 2271SOL    HW1 8385   2.292   4.728   1.866 -1.1567  1.7721 -1.6093
+ 2271SOL    HW2 8386   2.294   4.619   1.761  0.2760  0.9726 -0.7677
+ 2272SOL     OW 8387   2.584   4.707   2.788  0.3266 -0.3058  0.6329
+ 2272SOL    HW1 8388   2.677   4.732   2.789  0.1861  0.3512 -0.8406
+ 2272SOL    HW2 8389   2.573   4.660   2.705 -0.5881 -0.6433  0.9425
+ 2273SOL     OW 8390   1.268   5.913   2.138  0.2515 -0.0185 -0.9011
+ 2273SOL    HW1 8391   1.354   5.894   2.176  0.2850  0.1627 -0.8884
+ 2273SOL    HW2 8392   1.218   5.832   2.151 -0.5802  0.8787  1.8427
+ 2274SOL     OW 8393   0.923   6.057   0.378 -1.0105 -1.0482  0.3157
+ 2274SOL    HW1 8394   0.860   6.128   0.364 -0.4065 -0.5338  0.2215
+ 2274SOL    HW2 8395   0.868   5.982   0.403 -1.6680 -0.6185  0.1871
+ 2275SOL     OW 8396   0.659   5.545   1.799 -0.5637  0.3353  0.2912
+ 2275SOL    HW1 8397   0.741   5.530   1.752 -0.1529  0.9185  0.8126
+ 2275SOL    HW2 8398   0.596   5.485   1.758 -0.0809  0.4670 -0.6477
+ 2276SOL     OW 8399   0.874   3.351   7.616 -0.1395  0.0244 -0.2105
+ 2276SOL    HW1 8400   0.785   3.368   7.585 -0.5738 -0.0141  0.9893
+ 2276SOL    HW2 8401   0.901   3.432   7.658  0.3555 -0.0023 -0.4730
+ 2277SOL     OW 8402   1.009   4.756   0.635  0.4044  0.1568 -0.2106
+ 2277SOL    HW1 8403   1.075   4.766   0.704  0.3234 -1.6152  0.1302
+ 2277SOL    HW2 8404   1.059   4.736   0.556  0.3603  0.1439 -0.2353
+ 2278SOL     OW 8405   2.608   5.850   1.328 -0.3749  0.2166 -0.2498
+ 2278SOL    HW1 8406   2.561   5.773   1.298  0.1518 -0.9800  1.8464
+ 2278SOL    HW2 8407   2.701   5.825   1.322 -0.1838  0.9041 -0.1684
+ 2279SOL     OW 8408   7.714   6.735   3.080  0.3237 -0.6490 -0.4647
+ 2279SOL    HW1 8409   7.643   6.671   3.080 -0.1350 -0.1472 -0.8781
+ 2279SOL    HW2 8410   7.756   6.723   2.994  1.2219 -1.4721  0.0833
+ 2280SOL     OW 8411   0.276   4.609   2.314  0.4463  0.2741 -0.1056
+ 2280SOL    HW1 8412   0.280   4.642   2.404  0.8719  0.4647 -0.1966
+ 2280SOL    HW2 8413   0.196   4.557   2.312 -0.3014  1.3916  0.0148
+ 2281SOL     OW 8414   2.255   4.476   1.109  0.1554  0.1290 -0.0294
+ 2281SOL    HW1 8415   2.240   4.541   1.177 -0.9092 -0.7524  0.6102
+ 2281SOL    HW2 8416   2.241   4.523   1.027 -0.8641  0.6498  0.4302
+ 2282SOL     OW 8417   2.740   4.618   7.669  0.4868 -0.4521 -0.1154
+ 2282SOL    HW1 8418   2.799   4.559   7.622  0.3844  0.0192 -0.8465
+ 2282SOL    HW2 8419   2.790   4.647   7.745  0.5337 -1.4886  0.2498
+ 2283SOL     OW 8420   7.532   6.460   1.295 -0.1592 -0.4917  0.1760
+ 2283SOL    HW1 8421   7.452   6.428   1.254 -0.0114  0.2498 -0.7188
+ 2283SOL    HW2 8422   7.601   6.403   1.262 -0.0684 -0.0150 -0.4948
+ 2284SOL     OW 8423   1.089   3.561   1.962 -0.3277 -0.2087 -0.1272
+ 2284SOL    HW1 8424   1.090   3.568   1.866  0.0359 -0.3765 -0.1362
+ 2284SOL    HW2 8425   1.023   3.495   1.980 -0.7335  0.1648 -0.2418
+ 2285SOL     OW 8426   0.317   3.543   1.697 -0.3170  0.4305  0.1737
+ 2285SOL    HW1 8427   0.347   3.592   1.774 -0.8199 -0.9092  1.2528
+ 2285SOL    HW2 8428   0.303   3.610   1.630 -1.0541  1.7930  1.6291
+ 2286SOL     OW 8429   0.752   5.293   6.485  0.0690 -0.4688 -0.4925
+ 2286SOL    HW1 8430   0.713   5.309   6.399 -2.1225 -0.6592  0.4320
+ 2286SOL    HW2 8431   0.760   5.380   6.524 -0.1432 -0.4953 -0.3885
+ 2287SOL     OW 8432   1.363   4.029   0.638  0.9124  0.0070  0.0412
+ 2287SOL    HW1 8433   1.424   3.956   0.631 -0.2873 -0.9941  0.0760
+ 2287SOL    HW2 8434   1.286   3.993   0.681  0.3517  1.3141  0.1656
+ 2288SOL     OW 8435   3.545   3.578   0.708  0.5442 -0.8692  0.1021
+ 2288SOL    HW1 8436   3.501   3.654   0.669  1.2247 -0.3080  0.4171
+ 2288SOL    HW2 8437   3.636   3.587   0.681  1.0276 -0.4712  1.8099
+ 2289SOL     OW 8438   1.123   4.499   2.435 -0.4300  0.0205  0.1548
+ 2289SOL    HW1 8439   1.132   4.456   2.520 -0.4018 -1.1250 -0.4198
+ 2289SOL    HW2 8440   1.101   4.590   2.456 -0.7196 -0.3270  1.3746
+ 2290SOL     OW 8441   1.379   4.101   1.451  0.1365 -0.2284  0.5740
+ 2290SOL    HW1 8442   1.375   4.014   1.490 -0.7010 -0.1219  0.7361
+ 2290SOL    HW2 8443   1.471   4.126   1.457 -0.0881  0.1162  3.2481
+ 2291SOL     OW 8444   0.647   3.803   0.770  0.0632 -0.3217  0.3453
+ 2291SOL    HW1 8445   0.690   3.719   0.753  1.5430  0.3117  0.8670
+ 2291SOL    HW2 8446   0.603   3.790   0.854  1.4843 -0.1409  1.1356
+ 2292SOL     OW 8447   2.108   3.545   2.450  0.1986 -0.2585  0.2992
+ 2292SOL    HW1 8448   2.034   3.506   2.497 -2.3411  1.2688 -2.2398
+ 2292SOL    HW2 8449   2.146   3.606   2.513 -2.1442  0.5981  0.9375
+ 2293SOL     OW 8450   0.483   5.629   0.556 -0.3080  0.5361  0.1523
+ 2293SOL    HW1 8451   0.443   5.580   0.484  0.0042  0.8823 -0.2580
+ 2293SOL    HW2 8452   0.573   5.645   0.527 -0.0586  0.3276  0.7937
+ 2294SOL     OW 8453   7.900   0.811   2.534 -0.5859 -0.0095  0.0535
+ 2294SOL    HW1 8454   7.984   0.766   2.530 -0.6046 -0.0697  0.3676
+ 2294SOL    HW2 8455   7.868   0.811   2.443 -0.6936 -0.8266  0.0901
+ 2295SOL     OW 8456   1.360   4.413   1.408 -0.5037  0.1802  0.2875
+ 2295SOL    HW1 8457   1.291   4.445   1.465 -2.0940 -1.1665 -0.8242
+ 2295SOL    HW2 8458   1.367   4.320   1.428 -0.1328 -0.0215 -0.7127
+ 2296SOL     OW 8459   7.481   4.243   0.788  1.0812  0.0494  0.9863
+ 2296SOL    HW1 8460   7.514   4.157   0.815 -0.5512 -0.6320  0.8853
+ 2296SOL    HW2 8461   7.404   4.258   0.844 -0.1302  0.2916 -0.7106
+ 2297SOL     OW 8462   1.470   5.754   2.626  0.3491 -0.2225  0.4556
+ 2297SOL    HW1 8463   1.441   5.670   2.662  1.5668 -0.2992  1.2883
+ 2297SOL    HW2 8464   1.565   5.747   2.623  0.4072  0.7905 -0.3348
+ 2298SOL     OW 8465   0.047   2.936   1.051 -0.4605 -0.1479 -0.0075
+ 2298SOL    HW1 8466  -0.035   2.976   1.078 -0.0304  1.1945 -0.6469
+ 2298SOL    HW2 8467   0.112   3.006   1.058  0.7218 -1.2876  0.8814
+ 2299SOL     OW 8468   1.572   5.958   7.556  0.2631 -0.1334 -0.5115
+ 2299SOL    HW1 8469   1.660   5.948   7.592  0.0128  0.4057  0.2666
+ 2299SOL    HW2 8470   1.577   6.037   7.501 -0.1228  0.8348  0.8047
+ 2300SOL     OW 8471   6.547   3.380   1.332  0.0199  0.6119 -0.0600
+ 2300SOL    HW1 8472   6.589   3.465   1.328 -1.4956  1.3346 -1.2249
+ 2300SOL    HW2 8473   6.606   3.322   1.282  1.4367  0.7584  1.3779
+ 2301SOL     OW 8474   1.603   4.922   2.140  0.0667  0.4732  0.5614
+ 2301SOL    HW1 8475   1.625   4.982   2.212  1.4162  1.6509 -0.7889
+ 2301SOL    HW2 8476   1.665   4.944   2.071  0.3706 -2.3171 -0.0913
+ 2302SOL     OW 8477   1.238   5.346   2.913  0.6202  0.4178 -0.1843
+ 2302SOL    HW1 8478   1.285   5.382   2.989  0.7168 -0.0088 -0.0414
+ 2302SOL    HW2 8479   1.154   5.391   2.914  1.1255  1.3777 -0.5985
+ 2303SOL     OW 8480   0.246   4.436   7.549 -0.1595 -1.1379 -0.5094
+ 2303SOL    HW1 8481   0.262   4.351   7.590 -0.3341 -1.0339 -0.2243
+ 2303SOL    HW2 8482   0.327   4.485   7.562 -0.8421 -0.4557  1.3211
+ 2304SOL     OW 8483   0.543   5.328   1.639 -0.5665 -0.3571  0.2004
+ 2304SOL    HW1 8484   0.573   5.363   1.555  2.6275 -1.3127  0.9137
+ 2304SOL    HW2 8485   0.568   5.236   1.638 -1.1920 -0.5631  1.8999
+ 2305SOL     OW 8486   1.796   5.320   2.128  0.4154  0.0209  0.0642
+ 2305SOL    HW1 8487   1.784   5.231   2.096  3.2071 -1.1596  2.0469
+ 2305SOL    HW2 8488   1.877   5.350   2.087 -0.8057  1.9220 -1.0654
+ 2306SOL     OW 8489   7.737   5.969   2.058 -0.3012  0.7638 -0.6311
+ 2306SOL    HW1 8490   7.643   5.957   2.046 -0.6066  1.2603  1.1266
+ 2306SOL    HW2 8491   7.761   5.907   2.127  0.3331  1.8648  0.1506
+ 2307SOL     OW 8492   7.958   2.845   0.610  0.6716 -0.0271 -0.3279
+ 2307SOL    HW1 8493   7.945   2.756   0.578  2.9278 -0.5862  0.1746
+ 2307SOL    HW2 8494   8.032   2.878   0.559 -0.3840  1.7134 -0.7775
+ 2308SOL     OW 8495   2.353   6.442   6.555 -0.0746  0.1661  0.4995
+ 2308SOL    HW1 8496   2.414   6.386   6.603  0.7238 -1.7958 -2.6236
+ 2308SOL    HW2 8497   2.409   6.498   6.502 -0.9368  0.9237  0.3778
+ 2309SOL     OW 8498   7.527   3.480   0.234  0.4567 -0.0639  0.1397
+ 2309SOL    HW1 8499   7.552   3.396   0.271  0.6682  0.8047  2.0360
+ 2309SOL    HW2 8500   7.531   3.541   0.308  0.2387  1.5950 -1.1816
+ 2310SOL     OW 8501   2.536   4.467   1.007 -0.6200  0.0902 -0.4272
+ 2310SOL    HW1 8502   2.569   4.553   0.979 -0.6761 -0.2624 -1.5698
+ 2310SOL    HW2 8503   2.445   4.484   1.032 -0.5598  0.4044 -0.4120
+ 2311SOL     OW 8504   1.783   3.887   1.997  0.4609  0.2241 -0.2660
+ 2311SOL    HW1 8505   1.791   3.862   2.089  1.2867  0.5854 -0.2370
+ 2311SOL    HW2 8506   1.773   3.982   1.999  2.6483  0.4878 -0.6561
+ 2312SOL     OW 8507   1.038   5.514   1.423  0.4039 -0.2703 -0.3232
+ 2312SOL    HW1 8508   1.045   5.561   1.341  0.2156 -0.8875 -0.6979
+ 2312SOL    HW2 8509   1.017   5.424   1.398 -1.7448 -0.0277  0.4744
+ 2313SOL     OW 8510   7.817   5.027   1.234  0.1199 -0.7596  0.0677
+ 2313SOL    HW1 8511   7.859   5.085   1.171  1.5083 -0.8416  0.9138
+ 2313SOL    HW2 8512   7.878   4.954   1.245 -1.2976 -2.0554 -0.4611
+ 2314SOL     OW 8513   7.124   4.158   7.021 -0.7004  0.3728  0.5140
+ 2314SOL    HW1 8514   7.126   4.063   7.022  1.9181  0.3856  0.6844
+ 2314SOL    HW2 8515   7.106   4.183   7.111 -2.7503  0.0460  0.2083
+ 2315SOL     OW 8516   7.907   4.268   0.370 -0.5807 -0.1079  0.0221
+ 2315SOL    HW1 8517   7.852   4.328   0.321  2.2749  1.3011 -1.5556
+ 2315SOL    HW2 8518   7.932   4.201   0.307  0.2810 -0.1999  0.4563
+ 2316SOL     OW 8519   7.727   5.690   7.420 -0.1123  0.1690  0.3854
+ 2316SOL    HW1 8520   7.675   5.649   7.351 -0.7618 -1.8286  2.0069
+ 2316SOL    HW2 8521   7.750   5.618   7.478  0.2524  1.8543  2.3706
+ 2317SOL     OW 8522   1.919   6.088   2.229 -0.1614 -0.2451 -0.0501
+ 2317SOL    HW1 8523   1.955   6.171   2.199 -2.3700  0.4477 -0.8759
+ 2317SOL    HW2 8524   1.996   6.033   2.246  1.3309  2.1017  0.9854
+ 2318SOL     OW 8525   7.425   5.156   1.932 -0.8223 -0.5203 -0.2771
+ 2318SOL    HW1 8526   7.430   5.074   1.982 -0.4097  0.3977  1.1969
+ 2318SOL    HW2 8527   7.502   5.154   1.875  0.9470  0.3375  2.0624
+ 2319SOL     OW 8528   0.352   4.473   0.026 -0.2487  0.4103  0.6728
+ 2319SOL    HW1 8529   0.276   4.422  -0.000 -1.4752  1.3913  2.2158
+ 2319SOL    HW2 8530   0.412   4.469  -0.049 -1.9386 -0.1313 -0.6629
+ 2320SOL     OW 8531   1.264   3.369   1.835 -0.3830  0.3901 -0.4846
+ 2320SOL    HW1 8532   1.178   3.327   1.834  0.5192 -1.5239  0.2529
+ 2320SOL    HW2 8533   1.268   3.414   1.920 -0.5988  0.3476 -0.4528
+ 2321SOL     OW 8534   0.306   3.524   0.789 -0.1913  0.0498 -0.0638
+ 2321SOL    HW1 8535   0.320   3.431   0.809  0.2844  0.5587  2.0902
+ 2321SOL    HW2 8536   0.323   3.531   0.695 -0.3677 -2.0650 -0.2785
+ 2322SOL     OW 8537   2.717   5.583   3.031 -0.1423  0.0133  0.4319
+ 2322SOL    HW1 8538   2.767   5.656   3.066 -0.5016  0.7551 -0.5839
+ 2322SOL    HW2 8539   2.772   5.546   2.962 -0.7166  0.4537 -0.2743
+ 2323SOL     OW 8540   0.559   5.965   1.331 -0.1471  0.2883  0.3834
+ 2323SOL    HW1 8541   0.512   5.902   1.276  0.3145  0.0985  0.1951
+ 2323SOL    HW2 8542   0.535   5.941   1.420  0.9699 -0.9469  0.3732
+ 2324SOL     OW 8543   1.843   3.675   1.773  0.1090 -0.0318  0.2040
+ 2324SOL    HW1 8544   1.882   3.754   1.736 -2.8225  1.1377 -0.5596
+ 2324SOL    HW2 8545   1.815   3.702   1.861  0.9109 -0.8350  0.7189
+ 2325SOL     OW 8546   3.424   3.785   0.595  0.3043 -0.5029  0.1706
+ 2325SOL    HW1 8547   3.343   3.776   0.545  1.4027  1.0178 -1.9578
+ 2325SOL    HW2 8548   3.403   3.847   0.665  0.1819  1.6144 -1.6958
+ 2326SOL     OW 8549   2.158   4.126   7.574  0.1608 -0.3420 -0.5694
+ 2326SOL    HW1 8550   2.100   4.202   7.582 -0.5385 -0.9351  0.1804
+ 2326SOL    HW2 8551   2.246   4.163   7.571 -0.1141  0.4700  0.7472
+ 2327SOL     OW 8552   7.451   4.664   6.757 -0.9767  0.0416 -0.0841
+ 2327SOL    HW1 8553   7.396   4.722   6.809  1.8726  1.1394  1.7956
+ 2327SOL    HW2 8554   7.453   4.706   6.670  0.0731  2.1241  0.9183
+ 2328SOL     OW 8555   1.467   5.117   2.840 -0.0230  0.4605  0.1504
+ 2328SOL    HW1 8556   1.435   5.027   2.851  1.3449 -0.0519  0.0617
+ 2328SOL    HW2 8557   1.406   5.170   2.891 -2.0504 -0.2592 -1.4594
+ 2329SOL     OW 8558   0.907   4.150   7.429 -0.4048  0.9371 -0.4323
+ 2329SOL    HW1 8559   0.894   4.169   7.522 -0.3985  1.6813 -0.5805
+ 2329SOL    HW2 8560   0.831   4.188   7.385 -0.0575  1.2163 -0.8044
+ 2330SOL     OW 8561   7.918   2.610   0.470  0.3052 -0.1748  0.3336
+ 2330SOL    HW1 8562   7.840   2.621   0.415 -0.0735 -2.9108  0.2321
+ 2330SOL    HW2 8563   7.966   2.539   0.428  1.4793 -0.3457  1.9311
+ 2331SOL     OW 8564   7.737   3.544   7.272 -0.3753 -0.1906 -0.1752
+ 2331SOL    HW1 8565   7.646   3.566   7.250 -0.4629 -1.0578 -0.7016
+ 2331SOL    HW2 8566   7.730   3.497   7.355 -0.7061 -2.6966 -1.5633
+ 2332SOL     OW 8567   1.387   5.197   7.858 -0.1600 -0.0790 -0.7353
+ 2332SOL    HW1 8568   1.406   5.103   7.857 -0.7481 -0.1959 -0.7622
+ 2332SOL    HW2 8569   1.327   5.208   7.932 -0.7439  0.1543 -1.2462
+ 2333SOL     OW 8570   7.936   4.914   2.159  0.4236 -0.2636 -0.0547
+ 2333SOL    HW1 8571   7.961   4.857   2.231  3.1962  0.3919 -0.4349
+ 2333SOL    HW2 8572   7.978   4.998   2.179  0.0708  0.3308 -1.7269
+ 2334SOL     OW 8573   0.990   2.453   2.870 -0.5620 -0.3705 -0.3639
+ 2334SOL    HW1 8574   0.934   2.522   2.906 -0.0150 -0.1896  0.1619
+ 2334SOL    HW2 8575   1.071   2.498   2.847 -0.1425 -0.8671  0.1357
+ 2335SOL     OW 8576   6.667   4.285   2.861 -0.4739  0.2731  0.2074
+ 2335SOL    HW1 8577   6.587   4.269   2.812 -1.4817 -0.1278  1.9348
+ 2335SOL    HW2 8578   6.718   4.205   2.851 -1.8729 -0.8826  2.0232
+ 2336SOL     OW 8579   1.201   7.185   2.599  0.0664  0.0132  0.3373
+ 2336SOL    HW1 8580   1.212   7.246   2.526  1.3549  0.3842  0.8230
+ 2336SOL    HW2 8581   1.121   7.137   2.579  0.5850 -0.1250 -1.4797
+ 2337SOL     OW 8582   0.989   5.034   1.154 -0.2024 -0.2918 -0.2773
+ 2337SOL    HW1 8583   1.010   4.981   1.077 -0.3434 -2.8265  1.3637
+ 2337SOL    HW2 8584   0.914   4.990   1.194  0.2567  0.5992  1.6519
+ 2338SOL     OW 8585   1.496   6.449   2.932 -0.3195  0.1322  0.0610
+ 2338SOL    HW1 8586   1.474   6.536   2.898  0.6031  0.4616  0.2899
+ 2338SOL    HW2 8587   1.548   6.409   2.863 -1.1501 -0.4279 -0.2449
+ 2339SOL     OW 8588   2.183   4.484   1.633 -0.0587  0.2345  0.0807
+ 2339SOL    HW1 8589   2.119   4.496   1.703 -1.0981 -2.3803 -0.3676
+ 2339SOL    HW2 8590   2.141   4.522   1.556  0.2288  1.2624  0.4216
+ 2340SOL     OW 8591   7.289   4.153   3.130  0.2783  0.0022  0.1478
+ 2340SOL    HW1 8592   7.286   4.136   3.224 -0.7286  0.2335  0.1592
+ 2340SOL    HW2 8593   7.333   4.076   3.094  1.0263  0.0911  0.8419
+ 2341SOL     OW 8594   1.369   3.853   3.739  0.3485  0.6000  0.2256
+ 2341SOL    HW1 8595   1.361   3.758   3.742  1.5002  0.4736 -0.4570
+ 2341SOL    HW2 8596   1.283   3.885   3.768  0.4569 -0.6316  2.0551
+ 2342SOL     OW 8597   7.626   4.787   1.766  0.3871 -0.0263  0.3315
+ 2342SOL    HW1 8598   7.563   4.856   1.744 -0.1761 -0.2159  1.3261
+ 2342SOL    HW2 8599   7.677   4.824   1.839  0.2110 -0.5838  0.7392
+ 2343SOL     OW 8600   0.011   5.492   3.391  0.3379  0.3514 -0.3607
+ 2343SOL    HW1 8601   0.098   5.503   3.352  0.1712 -0.9839 -1.1327
+ 2343SOL    HW2 8602  -0.035   5.573   3.369  0.8935  0.4381 -1.2258
+ 2344SOL     OW 8603   7.377   4.065   3.403  0.2655  0.2137 -0.2962
+ 2344SOL    HW1 8604   7.347   4.002   3.469  0.1983 -1.1049 -1.5654
+ 2344SOL    HW2 8605   7.473   4.058   3.406  0.2342 -0.9492 -1.3527
+ 2345SOL     OW 8606   1.557   2.947   2.904 -0.2903 -0.4088 -0.4276
+ 2345SOL    HW1 8607   1.484   2.937   2.843 -1.3166 -0.0910  0.7150
+ 2345SOL    HW2 8608   1.543   3.032   2.945  0.9072 -0.2010 -0.4229
+ 2346SOL     OW 8609   0.800   3.182   2.974  0.2640  0.1026 -0.2565
+ 2346SOL    HW1 8610   0.885   3.139   2.985 -0.0606 -0.3364  0.5528
+ 2346SOL    HW2 8611   0.773   3.157   2.885  0.2274 -1.1147  0.0871
+ 2347SOL     OW 8612   1.027   5.169   1.891 -0.2218  0.4003  0.5414
+ 2347SOL    HW1 8613   0.976   5.166   1.972 -0.3124  0.2063  0.4779
+ 2347SOL    HW2 8614   1.073   5.252   1.895  0.9665 -0.2853  1.5225
+ 2348SOL     OW 8615   7.257   6.390   2.154  0.0355  0.5277  0.4404
+ 2348SOL    HW1 8616   7.272   6.429   2.240  2.1398  0.5115  0.1103
+ 2348SOL    HW2 8617   7.295   6.302   2.161  2.3367  1.3292 -1.1585
+ 2349SOL     OW 8618   7.750   2.855   1.708 -0.0646 -0.5107 -0.2093
+ 2349SOL    HW1 8619   7.693   2.932   1.701  1.3818  0.6580  0.4895
+ 2349SOL    HW2 8620   7.839   2.890   1.701  0.6515 -2.0135  0.8895
+ 2350SOL     OW 8621   6.914   6.280   1.615 -0.0010  0.5845  0.2402
+ 2350SOL    HW1 8622   6.823   6.249   1.620 -0.0885 -0.0683 -4.1832
+ 2350SOL    HW2 8623   6.956   6.222   1.552  2.8870  2.4197  0.3884
+ 2351SOL     OW 8624   0.658   4.018   2.966  0.0670 -0.5359 -0.0945
+ 2351SOL    HW1 8625   0.654   4.069   2.885  0.2176  0.7730  0.7051
+ 2351SOL    HW2 8626   0.751   3.997   2.976 -0.1711 -2.1575 -1.1345
+ 2352SOL     OW 8627   0.661   4.588   4.112  0.4026 -0.1666 -0.3201
+ 2352SOL    HW1 8628   0.667   4.513   4.171  0.9043 -0.2302 -0.4579
+ 2352SOL    HW2 8629   0.741   4.585   4.060  0.0609  0.0163 -0.8600
+ 2353SOL     OW 8630   7.954   4.210   3.578  0.3130 -0.2649  0.1054
+ 2353SOL    HW1 8631   8.018   4.277   3.555  0.9462 -0.6660  0.6930
+ 2353SOL    HW2 8632   7.870   4.255   3.576  0.6677  0.3893 -0.1498
+ 2354SOL     OW 8633   2.084   3.407   4.589  0.1638  0.4123  0.4414
+ 2354SOL    HW1 8634   2.020   3.382   4.522  0.4757 -0.3232  0.4086
+ 2354SOL    HW2 8635   2.051   3.489   4.625 -0.2266  0.5972 -0.3309
+ 2355SOL     OW 8636   2.365   6.236   2.311 -0.1528  0.2124  0.6100
+ 2355SOL    HW1 8637   2.455   6.264   2.326 -1.0563  1.8760  3.2651
+ 2355SOL    HW2 8638   2.353   6.161   2.370 -0.0310 -1.1332 -1.0105
+ 2356SOL     OW 8639   2.318   4.402   2.894 -0.0185  0.3283  0.1029
+ 2356SOL    HW1 8640   2.307   4.469   2.825 -1.1124 -0.1162 -0.1698
+ 2356SOL    HW2 8641   2.266   4.435   2.967 -1.5099 -0.7536 -0.4314
+ 2357SOL     OW 8642   0.545   4.943   2.371  0.0694  0.3748 -0.5558
+ 2357SOL    HW1 8643   0.549   5.024   2.422 -1.4510  1.2527 -1.7602
+ 2357SOL    HW2 8644   0.457   4.944   2.333 -0.0084 -1.9263 -0.4667
+ 2358SOL     OW 8645   1.291   4.473   2.218 -0.5353  0.2780  0.4423
+ 2358SOL    HW1 8646   1.222   4.476   2.284  1.3914 -0.8542  2.5839
+ 2358SOL    HW2 8647   1.319   4.381   2.216  1.0867  0.7596 -0.1557
+ 2359SOL     OW 8648   1.427   4.236   2.194  0.1674  0.0224  0.2600
+ 2359SOL    HW1 8649   1.520   4.234   2.215  0.8433 -1.8628 -2.5606
+ 2359SOL    HW2 8650   1.389   4.167   2.248  1.0011 -1.4014 -0.9252
+ 2360SOL     OW 8651   1.102   2.967   3.447 -0.2277  0.0775  0.2169
+ 2360SOL    HW1 8652   1.131   3.028   3.514  3.0362  0.5680 -1.5378
+ 2360SOL    HW2 8653   1.072   2.890   3.495  1.1202  0.8005  2.2682
+ 2361SOL     OW 8654   6.602   4.145   1.826  0.2579  0.1514 -0.0869
+ 2361SOL    HW1 8655   6.635   4.213   1.885  1.3354 -1.1429  0.8573
+ 2361SOL    HW2 8656   6.588   4.069   1.883 -1.9530 -0.1107 -0.9412
+ 2362SOL     OW 8657   1.545   3.833   4.143 -0.2133 -0.2488 -0.5987
+ 2362SOL    HW1 8658   1.566   3.749   4.184  1.0795 -0.3358 -1.4145
+ 2362SOL    HW2 8659   1.555   3.817   4.049  0.7222  1.0019 -0.7173
+ 2363SOL     OW 8660   2.293   3.193   4.266  0.3011 -0.0464 -0.2013
+ 2363SOL    HW1 8661   2.274   3.285   4.252  0.1070 -0.1338 -0.5207
+ 2363SOL    HW2 8662   2.378   3.179   4.225  0.3290 -0.0093 -0.1548
+ 2364SOL     OW 8663   1.480   3.573   3.324  0.3024 -0.0876 -0.6428
+ 2364SOL    HW1 8664   1.426   3.617   3.390 -0.4758  0.8903 -1.9181
+ 2364SOL    HW2 8665   1.529   3.507   3.374  0.7673  1.5553  1.1438
+ 2365SOL     OW 8666   0.022   4.478   3.151  0.6702  0.2333 -0.3532
+ 2365SOL    HW1 8667  -0.045   4.440   3.094 -0.1058 -1.0791  1.4144
+ 2365SOL    HW2 8668  -0.026   4.513   3.225  1.7225  1.5922 -0.2944
+ 2366SOL     OW 8669   2.336   7.488   3.810  0.3335 -0.1857  0.5156
+ 2366SOL    HW1 8670   2.325   7.479   3.715  1.6330 -3.0684  0.5863
+ 2366SOL    HW2 8671   2.370   7.576   3.822 -2.3365  1.1872 -1.4611
+ 2367SOL     OW 8672   0.587   4.974   2.720  0.1454 -0.2291  0.1660
+ 2367SOL    HW1 8673   0.524   4.977   2.792 -1.1059  1.3183 -0.9520
+ 2367SOL    HW2 8674   0.593   4.881   2.698  0.3951 -0.7051  2.1094
+ 2368SOL     OW 8675   1.890   4.548   2.529  0.3938 -0.2911  0.7057
+ 2368SOL    HW1 8676   1.834   4.505   2.464 -0.7219 -1.5942  2.5057
+ 2368SOL    HW2 8677   1.923   4.477   2.584  0.5296  0.8948  2.1857
+ 2369SOL     OW 8678   0.539   4.370   2.779 -0.1861  0.2896 -0.1742
+ 2369SOL    HW1 8679   0.538   4.419   2.861 -2.6108 -2.8618  1.8086
+ 2369SOL    HW2 8680   0.618   4.316   2.784 -0.1954  0.2889 -0.0383
+ 2370SOL     OW 8681   1.238   3.636   2.371 -0.2416 -0.0691  0.2060
+ 2370SOL    HW1 8682   1.281   3.612   2.289 -2.5618  0.2629 -1.1402
+ 2370SOL    HW2 8683   1.253   3.561   2.429  0.1311 -0.9513 -1.0070
+ 2371SOL     OW 8684   1.677   3.148   2.640  0.1119 -0.3616  0.4823
+ 2371SOL    HW1 8685   1.692   3.062   2.601  2.1291  0.2646 -0.2222
+ 2371SOL    HW2 8686   1.745   3.156   2.707 -0.3933  0.4648  0.9052
+ 2372SOL     OW 8687   0.672   4.995   1.606 -0.3352 -0.3755  0.2864
+ 2372SOL    HW1 8688   0.699   4.930   1.671 -1.0572 -1.5913 -0.6007
+ 2372SOL    HW2 8689   0.603   4.951   1.556  0.5769  0.3270 -1.6553
+ 2373SOL     OW 8690   7.251   4.045   3.655 -0.1494 -0.2915 -0.0151
+ 2373SOL    HW1 8691   7.160   4.052   3.626  0.1045  0.0562 -0.7482
+ 2373SOL    HW2 8692   7.248   4.060   3.749 -0.4271  3.6127 -0.5536
+ 2374SOL     OW 8693   0.398   5.046   5.970 -0.1127 -0.3933  0.1273
+ 2374SOL    HW1 8694   0.317   5.096   5.977  0.0457 -0.2925  1.3373
+ 2374SOL    HW2 8695   0.370   4.955   5.984  0.0987 -0.2690  1.3935
+ 2375SOL     OW 8696   1.823   2.954   2.929 -0.2841 -0.7309 -0.3522
+ 2375SOL    HW1 8697   1.850   2.869   2.894 -0.6968 -0.4902 -1.2839
+ 2375SOL    HW2 8698   1.727   2.947   2.937 -0.0708 -1.2694  2.0712
+ 2376SOL     OW 8699   1.458   3.720   2.107  0.1276  0.4723 -0.0871
+ 2376SOL    HW1 8700   1.466   3.802   2.155  1.3408  1.1874 -1.4635
+ 2376SOL    HW2 8701   1.540   3.674   2.124 -0.5910 -0.5349  0.7706
+ 2377SOL     OW 8702   0.362   3.290   4.185 -0.1220  0.5761  0.4032
+ 2377SOL    HW1 8703   0.348   3.339   4.104 -0.2285  0.0351  0.0897
+ 2377SOL    HW2 8704   0.288   3.312   4.241 -0.8196 -0.1875 -0.2163
+ 2378SOL     OW 8705   7.693   5.061   2.623  0.0003 -0.2675 -0.1214
+ 2378SOL    HW1 8706   7.706   5.117   2.700 -0.8956  1.6840 -1.3601
+ 2378SOL    HW2 8707   7.603   5.031   2.631  0.8128 -2.4709  1.1188
+ 2379SOL     OW 8708   7.152   7.183   4.146  0.2681 -0.6867  0.5690
+ 2379SOL    HW1 8709   7.063   7.157   4.123  0.1528  1.6151 -1.7801
+ 2379SOL    HW2 8710   7.148   7.278   4.156  2.5922 -0.4592 -0.2338
+ 2380SOL     OW 8711   7.368   5.131   3.842 -0.2358 -0.1089  0.6769
+ 2380SOL    HW1 8712   7.349   5.146   3.749  0.1393  0.1454  0.6421
+ 2380SOL    HW2 8713   7.286   5.098   3.878 -0.6307  0.5888  0.4314
+ 2381SOL     OW 8714   1.018   5.749   5.110 -0.3123 -0.0946  0.1287
+ 2381SOL    HW1 8715   1.055   5.792   5.033  1.5900 -0.0378  1.0624
+ 2381SOL    HW2 8716   1.051   5.799   5.184 -2.1628 -0.1293  1.0051
+ 2382SOL     OW 8717   0.747   5.590   3.780  0.7005 -1.2003 -0.0862
+ 2382SOL    HW1 8718   0.764   5.568   3.872  0.4207  0.7747  0.4500
+ 2382SOL    HW2 8719   0.706   5.511   3.744  0.9209 -2.0367  1.4549
+ 2383SOL     OW 8720   7.608   4.302   5.653 -0.2207 -0.4704 -0.4510
+ 2383SOL    HW1 8721   7.681   4.283   5.595 -0.3868  1.5747 -1.4048
+ 2383SOL    HW2 8722   7.567   4.217   5.670  2.0802 -1.5699 -0.2604
+ 2384SOL     OW 8723   7.124   4.263   0.655 -0.2953  0.0046  0.1739
+ 2384SOL    HW1 8724   7.180   4.339   0.640 -0.6549  0.0442 -0.9954
+ 2384SOL    HW2 8725   7.043   4.300   0.692  0.2310 -0.0023  1.3577
+ 2385SOL     OW 8726   0.456   3.390   2.578 -0.1801 -0.6587  0.2306
+ 2385SOL    HW1 8727   0.525   3.442   2.620 -0.5738 -1.0857  1.4413
+ 2385SOL    HW2 8728   0.405   3.355   2.651 -2.0942  0.2124 -0.6458
+ 2386SOL     OW 8729   2.864   6.303   4.109  0.4914  0.4832 -0.1789
+ 2386SOL    HW1 8730   2.835   6.390   4.084  1.3560  0.7843 -0.1531
+ 2386SOL    HW2 8731   2.874   6.307   4.204  0.4846  0.3428 -0.1721
+ 2387SOL     OW 8732   1.913   5.547   2.543  0.1531  0.0032 -0.2134
+ 2387SOL    HW1 8733   1.820   5.525   2.541 -0.4012  2.3132 -0.9485
+ 2387SOL    HW2 8734   1.937   5.538   2.636 -1.3437  1.4572  0.3494
+ 2388SOL     OW 8735   1.092   4.675   7.677 -1.1018  0.3326  0.3071
+ 2388SOL    HW1 8736   1.169   4.732   7.681 -0.7497 -0.1426  0.3776
+ 2388SOL    HW2 8737   1.067   4.663   7.769 -0.2078 -0.9197  0.4023
+ 2389SOL     OW 8738   2.703   5.235   4.143 -0.4823  0.3048 -0.1825
+ 2389SOL    HW1 8739   2.726   5.143   4.152 -0.5242  0.3244  0.1198
+ 2389SOL    HW2 8740   2.678   5.244   4.051  2.7956  0.7670 -1.0977
+ 2390SOL     OW 8741   0.159   4.681   3.028  0.1657 -1.1501 -0.2949
+ 2390SOL    HW1 8742   0.205   4.720   3.103 -1.0862  0.5195 -0.3747
+ 2390SOL    HW2 8743   0.106   4.611   3.066  0.8166 -1.4195  0.1353
+ 2391SOL     OW 8744   7.660   5.217   1.696  0.4906 -0.1564  0.3031
+ 2391SOL    HW1 8745   7.634   5.140   1.645 -2.3637 -0.1322  1.5851
+ 2391SOL    HW2 8746   7.703   5.180   1.773  0.9105 -0.3805 -0.0355
+ 2392SOL     OW 8747   7.575   4.605   3.675 -0.0782  1.0939  0.1269
+ 2392SOL    HW1 8748   7.518   4.616   3.599  0.5666  2.8020 -0.1234
+ 2392SOL    HW2 8749   7.644   4.670   3.663  0.9375  0.2443  1.3349
+ 2393SOL     OW 8750   0.613   5.869   2.152 -0.2737 -0.0137 -0.2150
+ 2393SOL    HW1 8751   0.521   5.867   2.125 -0.4074 -3.4572  0.3543
+ 2393SOL    HW2 8752   0.662   5.849   2.072 -0.2159 -1.6148  0.2122
+ 2394SOL     OW 8753   0.497   6.655   2.976  0.4551  0.5558 -0.1399
+ 2394SOL    HW1 8754   0.524   6.721   2.913  0.3983  2.4851  1.7691
+ 2394SOL    HW2 8755   0.487   6.704   3.058  0.6408 -1.8727  1.3796
+ 2395SOL     OW 8756   2.061   5.470   4.227 -0.0327 -0.1986 -0.8906
+ 2395SOL    HW1 8757   2.101   5.499   4.309 -0.6181  1.5059 -1.1769
+ 2395SOL    HW2 8758   2.029   5.382   4.245  0.8387 -0.2638  0.3710
+ 2396SOL     OW 8759   7.520   5.866   1.559 -0.1878 -0.3944  0.2479
+ 2396SOL    HW1 8760   7.551   5.895   1.473 -2.3858  0.1750 -0.3694
+ 2396SOL    HW2 8761   7.462   5.792   1.540 -0.8957 -0.0934  1.2253
+ 2397SOL     OW 8762   0.566   6.084   5.059 -0.1061  0.3395 -0.4574
+ 2397SOL    HW1 8763   0.624   6.033   5.004 -1.2017 -1.5270  0.0720
+ 2397SOL    HW2 8764   0.620   6.114   5.131  0.4849 -0.3065 -0.6336
+ 2398SOL     OW 8765   7.912   4.585   2.817 -0.2851  0.5784  0.4765
+ 2398SOL    HW1 8766   7.873   4.633   2.890  0.3228  0.8314  0.6282
+ 2398SOL    HW2 8767   8.002   4.616   2.812 -0.6667  1.4760 -1.1719
+ 2399SOL     OW 8768   1.520   3.620   4.331  0.8607  0.0550  0.0203
+ 2399SOL    HW1 8769   1.548   3.547   4.276 -1.0077  1.3124 -2.6896
+ 2399SOL    HW2 8770   1.470   3.579   4.402 -1.0080 -1.2468 -2.0034
+ 2400SOL     OW 8771   0.051   3.699   3.956  0.5157 -0.2449  0.5108
+ 2400SOL    HW1 8772   0.086   3.695   3.867  0.3146 -0.7029  0.4509
+ 2400SOL    HW2 8773  -0.008   3.774   3.955 -2.3933 -2.4726 -0.8047
+ 2401SOL     OW 8774   0.878   2.829   2.692 -0.4925  0.4064 -0.1177
+ 2401SOL    HW1 8775   0.893   2.832   2.598 -0.0182 -0.0322 -0.0604
+ 2401SOL    HW2 8776   0.825   2.906   2.711 -2.6087 -0.7652 -1.1194
+ 2402SOL     OW 8777   1.885   5.102   5.033 -0.1486  0.3698  0.1963
+ 2402SOL    HW1 8778   1.942   5.104   5.110  0.0757  2.3867 -0.0001
+ 2402SOL    HW2 8779   1.796   5.108   5.069 -0.2478 -2.0639  0.4601
+ 2403SOL     OW 8780   1.953   4.299   2.650 -0.1673 -0.0257 -0.2626
+ 2403SOL    HW1 8781   2.001   4.276   2.730  0.0537 -2.3518 -1.0364
+ 2403SOL    HW2 8782   1.861   4.278   2.670 -0.2275  0.1436 -0.3559
+ 2404SOL     OW 8783   1.048   5.811   2.605  0.4569 -0.1148  0.0546
+ 2404SOL    HW1 8784   1.012   5.882   2.657  1.1586 -0.6321  1.2713
+ 2404SOL    HW2 8785   0.973   5.756   2.583  0.3198 -0.5895  1.6361
+ 2405SOL     OW 8786   1.553   4.454   2.761  0.2415  0.3529 -0.6636
+ 2405SOL    HW1 8787   1.587   4.519   2.699 -1.7377  2.5409  0.4831
+ 2405SOL    HW2 8788   1.464   4.436   2.731 -0.4246  0.7601  1.0101
+ 2406SOL     OW 8789   0.616   4.412   4.444 -0.3857 -0.3252 -0.2174
+ 2406SOL    HW1 8790   0.540   4.465   4.470  0.6120  0.2576  1.6458
+ 2406SOL    HW2 8791   0.587   4.365   4.366 -2.1551  1.0360 -0.4187
+ 2407SOL     OW 8792   1.995   5.598   2.285  0.0914 -0.1863  0.1023
+ 2407SOL    HW1 8793   1.974   5.555   2.368  2.9313  0.3556  1.1291
+ 2407SOL    HW2 8794   1.933   5.671   2.280 -1.1415 -1.1492  0.9749
+ 2408SOL     OW 8795   0.426   4.204   3.428  0.1344 -0.1527 -0.5868
+ 2408SOL    HW1 8796   0.459   4.115   3.437  0.0337 -0.4913 -3.1170
+ 2408SOL    HW2 8797   0.344   4.195   3.380 -0.4355  1.2275  0.0861
+ 2409SOL     OW 8798   0.821   2.660   2.907 -0.0326 -0.4671 -0.3249
+ 2409SOL    HW1 8799   0.863   2.713   2.839  0.0110 -0.8551 -0.6025
+ 2409SOL    HW2 8800   0.756   2.607   2.860  0.9193 -1.7169 -0.2780
+ 2410SOL     OW 8801   1.256   3.809   4.080  0.0649 -0.2609 -1.1270
+ 2410SOL    HW1 8802   1.184   3.778   4.135  1.3178 -1.8642 -0.3646
+ 2410SOL    HW2 8803   1.273   3.898   4.112 -0.8663 -0.2734 -0.5796
+ 2411SOL     OW 8804   0.081   7.480   3.016  0.3000 -0.1848 -0.6292
+ 2411SOL    HW1 8805   0.027   7.498   2.939 -0.8667  0.6029  0.3514
+ 2411SOL    HW2 8806   0.093   7.385   3.016  0.3507 -0.1800 -1.8043
+ 2412SOL     OW 8807   7.412   4.835   2.395  0.5012  0.1992  0.2333
+ 2412SOL    HW1 8808   7.498   4.797   2.377  0.3383 -0.4922  0.8968
+ 2412SOL    HW2 8809   7.420   4.926   2.368  0.5589 -0.5500 -2.4044
+ 2413SOL     OW 8810   2.216   6.792   1.382 -0.3630  0.0170 -0.2166
+ 2413SOL    HW1 8811   2.298   6.743   1.387  0.3603  1.3271  0.9652
+ 2413SOL    HW2 8812   2.152   6.734   1.424  0.4057 -0.0917  0.8230
+ 2414SOL     OW 8813   0.274   4.403   1.412 -0.2487  0.2490  0.1866
+ 2414SOL    HW1 8814   0.305   4.492   1.429  0.6859 -0.0771  0.1729
+ 2414SOL    HW2 8815   0.239   4.374   1.496  0.5231  0.1953  0.4941
+ 2415SOL     OW 8816   6.392   4.115   3.117  0.3042 -0.3236  0.2548
+ 2415SOL    HW1 8817   6.332   4.056   3.163 -0.1340  1.0296  1.4686
+ 2415SOL    HW2 8818   6.479   4.087   3.147  0.0965 -0.3554  0.8510
+ 2416SOL     OW 8819   1.252   2.492   3.473  0.0040  0.6594 -0.3945
+ 2416SOL    HW1 8820   1.306   2.547   3.415  0.4053  0.7546  0.0700
+ 2416SOL    HW2 8821   1.186   2.552   3.508  1.2552  1.1601  1.1587
+ 2417SOL     OW 8822   7.451   3.713   2.787  0.1598  0.2893 -0.6596
+ 2417SOL    HW1 8823   7.482   3.657   2.717 -2.3705 -0.0636 -1.5603
+ 2417SOL    HW2 8824   7.528   3.729   2.842  1.6307 -1.3577 -2.2028
+ 2418SOL     OW 8825   1.958   5.567   2.829  0.0939  0.1161  0.3365
+ 2418SOL    HW1 8826   1.893   5.507   2.866  0.3323 -0.3437  0.0131
+ 2418SOL    HW2 8827   2.042   5.533   2.859  0.2714 -0.1152 -0.4305
+ 2419SOL     OW 8828   2.589   6.818   2.857  0.8148  0.2161  0.2903
+ 2419SOL    HW1 8829   2.618   6.861   2.937  1.1431  0.1617  0.2035
+ 2419SOL    HW2 8830   2.572   6.727   2.883 -0.7615  0.6060  0.6719
+ 2420SOL     OW 8831   1.723   3.708   2.242 -0.5748 -0.3390 -0.5636
+ 2420SOL    HW1 8832   1.704   3.792   2.284  0.6603 -1.1251  1.6371
+ 2420SOL    HW2 8833   1.815   3.692   2.261 -0.9389 -2.4482 -0.5100
+ 2421SOL     OW 8834   1.622   5.435   2.871 -0.0163  0.1285 -0.3667
+ 2421SOL    HW1 8835   1.641   5.341   2.863  0.0150 -0.2261  3.0358
+ 2421SOL    HW2 8836   1.611   5.465   2.781  0.4500 -3.0392 -1.5509
+ 2422SOL     OW 8837   0.044   5.023   0.828  0.6644 -0.4435 -0.1075
+ 2422SOL    HW1 8838   0.107   4.952   0.819  2.4616  1.3175 -1.9957
+ 2422SOL    HW2 8839   0.085   5.097   0.783 -2.1423  1.1619 -0.1284
+ 2423SOL     OW 8840   1.190   5.638   3.179  0.5341  0.7540 -0.1242
+ 2423SOL    HW1 8841   1.191   5.723   3.134  2.8207  0.4657 -0.7037
+ 2423SOL    HW2 8842   1.238   5.580   3.120 -1.3735 -1.0612  0.0738
+ 2424SOL     OW 8843   1.170   1.482   3.804 -0.3644 -0.3548  0.1760
+ 2424SOL    HW1 8844   1.229   1.409   3.785  1.7069  0.8336  1.8295
+ 2424SOL    HW2 8845   1.150   1.520   3.719 -0.0114 -1.7413 -0.5375
+ 2425SOL     OW 8846   0.301   3.543   2.427  0.0542 -0.1956  0.6922
+ 2425SOL    HW1 8847   0.371   3.485   2.457 -1.6672 -1.7015  1.8544
+ 2425SOL    HW2 8848   0.248   3.489   2.369 -0.7232  0.6672  0.5971
+ 2426SOL     OW 8849   2.863   6.764   3.885  0.3914  0.7916 -0.6730
+ 2426SOL    HW1 8850   2.914   6.843   3.870 -0.0603  1.4178  0.9852
+ 2426SOL    HW2 8851   2.903   6.724   3.962  0.7363 -0.7126 -1.6023
+ 2427SOL     OW 8852   1.850   5.228   2.921 -0.0069  0.2207  0.5847
+ 2427SOL    HW1 8853   1.794   5.216   2.998 -0.1027 -1.5701  0.2487
+ 2427SOL    HW2 8854   1.915   5.293   2.948 -0.7045  0.4168  1.8077
+ 2428SOL     OW 8855   1.982   5.953   3.046 -0.6474  0.0361  0.0885
+ 2428SOL    HW1 8856   2.015   6.019   2.985 -0.5631 -0.0956 -0.0099
+ 2428SOL    HW2 8857   1.997   5.869   3.001 -2.1626  0.0318 -0.4582
+ 2429SOL     OW 8858   1.937   5.900   1.512  0.2719  0.5520  0.0116
+ 2429SOL    HW1 8859   1.969   5.873   1.426  0.6957  0.4608  0.1995
+ 2429SOL    HW2 8860   1.917   5.818   1.557 -2.1895  0.6315 -0.8416
+ 2430SOL     OW 8861   0.877   4.727   4.915 -0.1634 -0.0943 -0.4940
+ 2430SOL    HW1 8862   0.949   4.671   4.884 -1.0196 -0.9970 -0.9046
+ 2430SOL    HW2 8863   0.837   4.761   4.834 -0.0065  0.6504 -0.2594
+ 2431SOL     OW 8864   7.469   1.869   3.559 -0.0609  0.3285 -0.1209
+ 2431SOL    HW1 8865   7.413   1.920   3.617 -0.6355  0.4868 -0.8045
+ 2431SOL    HW2 8866   7.451   1.904   3.472  0.6044 -0.0752 -0.4203
+ 2432SOL     OW 8867   0.461   4.398   4.809 -0.1597 -0.4576 -0.3510
+ 2432SOL    HW1 8868   0.545   4.433   4.840 -0.5413 -0.8758  1.1740
+ 2432SOL    HW2 8869   0.404   4.401   4.886 -1.4643 -0.4320 -1.3154
+ 2433SOL     OW 8870   0.947   2.869   2.412 -0.1199  0.2050 -0.1348
+ 2433SOL    HW1 8871   0.899   2.790   2.389  0.8341 -0.5851  0.5208
+ 2433SOL    HW2 8872   0.937   2.927   2.337  0.7910 -1.3144 -1.4528
+ 2434SOL     OW 8873   0.243   3.435   4.786  0.3090  0.0365 -0.1482
+ 2434SOL    HW1 8874   0.306   3.384   4.734  1.0872  2.0354 -1.2132
+ 2434SOL    HW2 8875   0.187   3.478   4.721 -0.6541  0.1497  0.7495
+ 2435SOL     OW 8876   1.603   5.882   3.162 -0.4899 -0.4517 -0.5940
+ 2435SOL    HW1 8877   1.578   5.954   3.105  0.8144  0.7566  0.3460
+ 2435SOL    HW2 8878   1.646   5.819   3.104 -1.3390 -0.3503 -1.3505
+ 2436SOL     OW 8879   7.277   4.335   3.611  0.0441  0.1910  0.1374
+ 2436SOL    HW1 8880   7.304   4.329   3.703 -0.4447  1.3509  0.3653
+ 2436SOL    HW2 8881   7.346   4.288   3.563 -0.0544 -0.9943  1.1510
+ 2437SOL     OW 8882   0.427   4.750   1.266  0.7164  0.5103  0.5245
+ 2437SOL    HW1 8883   0.502   4.791   1.223  1.3999  0.8044  1.9574
+ 2437SOL    HW2 8884   0.360   4.746   1.198  2.3599 -0.6979 -1.0949
+ 2438SOL     OW 8885   0.212   2.235   2.928 -0.8867  0.4835 -0.0135
+ 2438SOL    HW1 8886   0.125   2.272   2.942 -0.7837  0.2095  1.4375
+ 2438SOL    HW2 8887   0.208   2.149   2.970 -0.0028  0.3485 -0.1948
+ 2439SOL     OW 8888   7.893   3.842   3.394 -0.1712  0.2247  0.2091
+ 2439SOL    HW1 8889   7.929   3.926   3.363  1.3023 -0.7167 -0.7508
+ 2439SOL    HW2 8890   7.813   3.865   3.440 -0.3460  2.0740 -0.9555
+ 2440SOL     OW 8891   2.630   5.668   3.499 -0.6325  0.1019 -0.5207
+ 2440SOL    HW1 8892   2.620   5.763   3.505 -0.5757  0.0985 -0.3858
+ 2440SOL    HW2 8893   2.725   5.655   3.494 -0.5074 -0.1142  2.1279
+ 2441SOL     OW 8894   2.102   4.171   2.861 -0.2806 -0.0236 -0.0868
+ 2441SOL    HW1 8895   2.171   4.223   2.903 -0.6943 -1.2400  2.1505
+ 2441SOL    HW2 8896   2.147   4.092   2.832 -0.5078 -0.3322  0.3981
+ 2442SOL     OW 8897   6.839   3.700   3.322  0.0506 -0.1644  0.6064
+ 2442SOL    HW1 8898   6.839   3.632   3.255 -0.1814  0.1591  0.2754
+ 2442SOL    HW2 8899   6.880   3.659   3.398 -0.4759 -0.8116  0.5473
+ 2443SOL     OW 8900   0.645   5.162   5.019 -0.2375 -0.3127 -0.5091
+ 2443SOL    HW1 8901   0.686   5.249   5.022 -0.3837 -0.3000  1.6720
+ 2443SOL    HW2 8902   0.718   5.101   5.025 -0.3651 -0.2940  1.7937
+ 2444SOL     OW 8903   2.107   5.303   3.585 -0.3189 -0.1010 -0.1423
+ 2444SOL    HW1 8904   2.153   5.218   3.586 -0.5725 -0.2877 -2.4321
+ 2444SOL    HW2 8905   2.055   5.301   3.505  0.2553  2.5441 -0.6158
+ 2445SOL     OW 8906   1.573   4.058   3.791  0.2881 -0.1353  0.0605
+ 2445SOL    HW1 8907   1.485   4.087   3.813  0.1347 -0.3878 -0.2116
+ 2445SOL    HW2 8908   1.576   4.062   3.695  0.1937 -1.2052  0.0078
+ 2446SOL     OW 8909   7.880   3.606   3.643  0.0683  0.0413 -0.2807
+ 2446SOL    HW1 8910   7.801   3.658   3.627  0.1576 -0.2110 -1.6264
+ 2446SOL    HW2 8911   7.857   3.517   3.614  0.4137 -0.3275  0.5610
+ 2447SOL     OW 8912   2.208   4.571   2.721 -0.2390 -0.8796  0.2971
+ 2447SOL    HW1 8913   2.206   4.517   2.642  0.7432 -1.3611  0.5953
+ 2447SOL    HW2 8914   2.190   4.660   2.690 -0.5451 -1.1673 -0.3687
+ 2448SOL     OW 8915   7.575   5.020   2.994 -0.0417  0.5081  0.5999
+ 2448SOL    HW1 8916   7.564   5.009   3.088  1.7631  1.1007  0.9028
+ 2448SOL    HW2 8917   7.584   5.115   2.982 -2.2005  0.6227 -0.4152
+ 2449SOL     OW 8918   0.768   4.825   3.258 -0.0240 -0.2627 -0.3175
+ 2449SOL    HW1 8919   0.771   4.832   3.162 -2.4511 -1.9663 -0.5446
+ 2449SOL    HW2 8920   0.825   4.751   3.278 -2.2175 -2.1019 -0.7489
+ 2450SOL     OW 8921   1.827   2.181   3.152 -0.0335  0.4125 -0.4111
+ 2450SOL    HW1 8922   1.772   2.103   3.151  1.7205 -0.8788  0.0443
+ 2450SOL    HW2 8923   1.882   2.170   3.229  0.3121  2.0610 -0.4104
+ 2451SOL     OW 8924   6.866   4.029   3.363  0.3507 -0.0785  0.5772
+ 2451SOL    HW1 8925   6.945   4.076   3.392  0.8974 -2.7930  3.8046
+ 2451SOL    HW2 8926   6.894   3.983   3.284  1.5430  0.1455  0.8564
+ 2452SOL     OW 8927   6.230   4.785   2.736 -0.0696 -0.2175 -0.4401
+ 2452SOL    HW1 8928   6.151   4.732   2.751  0.5307 -1.3431 -1.1715
+ 2452SOL    HW2 8929   6.226   4.809   2.643  0.3567 -0.1399 -0.4409
+ 2453SOL     OW 8930   2.061   4.538   4.400 -0.1709  0.2859  0.1714
+ 2453SOL    HW1 8931   2.038   4.547   4.307  1.1153  0.0778 -0.1726
+ 2453SOL    HW2 8932   2.144   4.586   4.409 -0.9227  1.3814  1.4829
+ 2454SOL     OW 8933   0.961   1.356   2.838  0.1487  0.2185 -0.0995
+ 2454SOL    HW1 8934   0.942   1.396   2.753 -1.0890 -1.7862 -0.8019
+ 2454SOL    HW2 8935   1.028   1.412   2.877 -0.2782  1.9412 -1.8010
+ 2455SOL     OW 8936   1.804   1.841   1.900 -0.0154 -0.6844 -0.4884
+ 2455SOL    HW1 8937   1.883   1.787   1.898  1.3933  1.3158 -0.7867
+ 2455SOL    HW2 8938   1.795   1.873   1.810 -0.8927 -0.5010 -0.3389
+ 2456SOL     OW 8939   1.614   6.177   1.960 -0.0810 -0.0635  0.3678
+ 2456SOL    HW1 8940   1.626   6.153   2.052 -1.3052 -2.0555  0.0351
+ 2456SOL    HW2 8941   1.540   6.125   1.930  0.4034  0.4088 -1.8082
+ 2457SOL     OW 8942   7.656   5.500   3.588 -0.0627  0.4129  0.3350
+ 2457SOL    HW1 8943   7.735   5.451   3.564  0.2326  0.2160  1.6549
+ 2457SOL    HW2 8944   7.649   5.489   3.683 -0.4572  2.2333  0.5436
+ 2458SOL     OW 8945   0.018   6.055   4.121  0.2254 -0.2431 -0.1214
+ 2458SOL    HW1 8946   0.041   6.110   4.197  3.6500 -0.9949 -0.5097
+ 2458SOL    HW2 8947  -0.047   5.993   4.155 -1.0410  1.7465  1.2301
+ 2459SOL     OW 8948   7.923   5.541   2.199  0.7874  0.3798  0.0335
+ 2459SOL    HW1 8949   8.011   5.550   2.163  0.2820  0.6136 -1.1663
+ 2459SOL    HW2 8950   7.875   5.616   2.164 -0.4192 -0.8250 -0.9255
+ 2460SOL     OW 8951   1.487   3.181   1.937  0.2310 -0.4781 -0.0628
+ 2460SOL    HW1 8952   1.535   3.252   1.979  2.5845 -0.5538 -2.4773
+ 2460SOL    HW2 8953   1.405   3.221   1.907  0.8020  0.8141  0.0744
+ 2461SOL     OW 8954   0.406   5.604   1.484 -0.3383 -0.2129 -0.5081
+ 2461SOL    HW1 8955   0.361   5.580   1.403 -1.2710 -1.1865  0.2728
+ 2461SOL    HW2 8956   0.487   5.553   1.483 -0.2920 -0.1281 -0.8932
+ 2462SOL     OW 8957   1.890   4.186   1.646 -0.2187 -0.1825 -0.0411
+ 2462SOL    HW1 8958   1.938   4.219   1.722  0.4144 -0.0862 -0.4802
+ 2462SOL    HW2 8959   1.819   4.248   1.633 -0.6651 -0.5116  0.8206
+ 2463SOL     OW 8960   0.573   4.046   2.106 -0.2494 -0.3092  1.0742
+ 2463SOL    HW1 8961   0.578   4.138   2.081  0.7462 -0.7663 -0.5072
+ 2463SOL    HW2 8962   0.483   4.035   2.138 -0.3070  1.2472  1.4727
+ 2464SOL     OW 8963   6.574   2.443   2.203  0.0719 -0.1669 -0.1582
+ 2464SOL    HW1 8964   6.570   2.468   2.295 -1.2933  0.6103 -0.4205
+ 2464SOL    HW2 8965   6.668   2.446   2.182  0.4387 -0.7185  1.2807
+ 2465SOL     OW 8966   0.496   4.802   4.599  0.0185 -0.3480  0.1198
+ 2465SOL    HW1 8967   0.521   4.894   4.613  2.0442 -1.0552  1.3591
+ 2465SOL    HW2 8968   0.514   4.785   4.507 -0.9640  0.6555 -0.2739
+ 2466SOL     OW 8969   0.794   4.567   2.532 -0.4742  0.0294  0.1701
+ 2466SOL    HW1 8970   0.724   4.632   2.535  1.4499  2.1842 -0.1039
+ 2466SOL    HW2 8971   0.792   4.532   2.443 -0.0878  1.3819 -0.3834
+ 2467SOL     OW 8972   7.336   5.214   2.408 -0.3784  0.3892 -0.1255
+ 2467SOL    HW1 8973   7.386   5.256   2.338  1.8299 -0.4987  0.8535
+ 2467SOL    HW2 8974   7.303   5.133   2.369  1.7491 -0.6413  0.0991
+ 2468SOL     OW 8975   0.543   5.911   1.738 -0.5607 -0.0332  0.1099
+ 2468SOL    HW1 8976   0.449   5.929   1.735 -0.8686 -1.6776 -1.0977
+ 2468SOL    HW2 8977   0.553   5.831   1.687  1.4153 -0.2508  0.7991
+ 2469SOL     OW 8978   0.235   6.055   3.164 -0.0408 -0.1136  0.7555
+ 2469SOL    HW1 8979   0.189   6.098   3.236  0.0956  1.4065 -0.0616
+ 2469SOL    HW2 8980   0.218   6.109   3.087  2.1277 -0.1662  0.1914
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+ 2470SOL    HW1 8982   0.508   4.240   1.618 -1.0501 -1.6048 -2.6947
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+ 2471SOL    HW1 8985   0.203   5.161   1.858 -1.3939  1.8180  0.0271
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+ 2472SOL     OW 8987   0.399   3.027   3.062 -0.0729  0.3724  0.3420
+ 2472SOL    HW1 8988   0.353   3.112   3.059 -0.9630 -0.1310 -1.2597
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+ 2474SOL    HW1 8994   1.518   3.234   2.711 -1.7059 -0.0496 -3.6907
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+ 2475SOL    HW1 8997   7.608   3.921   4.224 -0.9908  2.3125 -2.2862
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+ 2478SOL    HW1 9006   2.261   5.426   1.368 -0.3824 -1.5670 -0.6867
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+ 2480SOL    HW1 9012   0.338   4.709   4.737  0.4056 -0.8394  0.4823
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+ 2481SOL     OW 9014   1.809   4.372   4.955  0.3321  0.0672 -0.3086
+ 2481SOL    HW1 9015   1.839   4.447   4.903 -0.9014  1.2339  0.6278
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+ 2482SOL     OW 9017   2.717   5.548   0.511  0.1734 -0.1500  0.1650
+ 2482SOL    HW1 9018   2.699   5.487   0.439  1.4669 -0.5783  0.1963
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+ 2483SOL    HW1 9021   1.222   5.006   2.775  0.8744  0.3679 -0.5196
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+ 2484SOL    HW1 9024   2.068   6.197   3.856 -0.2799  1.3331 -1.1720
+ 2484SOL    HW2 9025   2.096   6.345   3.840  1.8734  1.0858  0.1421
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+ 2485SOL    HW1 9027   0.166   4.359   3.184 -0.7082 -1.5613 -2.7856
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+ 2487SOL    HW1 9033   1.901   5.039   3.125 -1.2452  0.5497  0.0014
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+ 2488SOL    HW1 9036   0.751   5.424   1.103  0.3632 -0.1969 -1.8550
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+ 2537SOL     OW 9182   1.880   1.742   2.857  0.3180 -0.5449  0.2301
+ 2537SOL    HW1 9183   1.824   1.766   2.930  1.0321  0.0545  0.5966
+ 2537SOL    HW2 9184   1.953   1.694   2.897  0.7483 -0.1497 -0.0728
+ 2538SOL     OW 9185   2.255   4.817   4.203 -0.3556  0.0771  0.1408
+ 2538SOL    HW1 9186   2.189   4.785   4.140  0.5503 -0.2367 -0.6585
+ 2538SOL    HW2 9187   2.311   4.875   4.151  0.3031 -0.0581  0.6996
+ 2539SOL     OW 9188   7.368   5.637   2.911 -0.3222  0.0370 -0.3515
+ 2539SOL    HW1 9189   7.455   5.653   2.947 -0.8695  0.8318  0.6464
+ 2539SOL    HW2 9190   7.315   5.610   2.986 -0.7650 -1.1104 -1.0778
+ 2540SOL     OW 9191   7.368   3.645   1.540 -0.1725 -0.3030 -0.2609
+ 2540SOL    HW1 9192   7.332   3.560   1.564 -0.3652 -0.2336 -0.3001
+ 2540SOL    HW2 9193   7.328   3.666   1.456  1.4886 -1.1244 -1.2738
+ 2541SOL     OW 9194   0.914   3.119   4.328 -0.1787  0.5878  0.4705
+ 2541SOL    HW1 9195   0.913   3.029   4.359 -0.0708 -0.4367 -2.4243
+ 2541SOL    HW2 9196   0.830   3.130   4.284  0.7703  1.1522 -1.2318
+ 2542SOL     OW 9197   2.237   3.710   2.606 -0.5657  0.4018  0.2780
+ 2542SOL    HW1 9198   2.213   3.787   2.657 -1.4940 -1.1109  2.1767
+ 2542SOL    HW2 9199   2.322   3.684   2.642 -1.3005 -0.7665  1.2045
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+ 2543SOL    HW1 9201   1.188   5.135   0.508 -2.1292 -1.4074 -0.0496
+ 2543SOL    HW2 9202   1.137   5.248   0.596 -0.7873 -0.6581 -0.2139
+ 2544SOL     OW 9203   2.306   4.648   2.150  0.1010  0.1224  0.0128
+ 2544SOL    HW1 9204   2.312   4.742   2.168 -3.2391  0.1676  1.1238
+ 2544SOL    HW2 9205   2.270   4.643   2.062  0.6486 -0.1474 -0.1990
+ 2545SOL     OW 9206   7.319   3.708   5.424 -0.6362 -0.2587 -0.1777
+ 2545SOL    HW1 9207   7.310   3.801   5.443 -0.0151  0.2301 -2.2108
+ 2545SOL    HW2 9208   7.229   3.680   5.404 -0.9554 -0.2991  1.2664
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+ 2547SOL    HW1 9213   7.553   3.554   5.257 -0.3313 -3.0665 -1.4485
+ 2547SOL    HW2 9214   7.442   3.601   5.348  0.2523  0.4180 -2.4598
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+ 2548SOL    HW1 9216   1.233   5.466   5.078  0.4980 -0.7618  0.2338
+ 2548SOL    HW2 9217   1.318   5.470   4.953  0.5923 -2.1663  0.2493
+ 2549SOL     OW 9218   1.050   3.573   3.793  0.5487  0.3815 -0.0885
+ 2549SOL    HW1 9219   1.140   3.603   3.800  1.1878 -1.3659 -0.4651
+ 2549SOL    HW2 9220   1.053   3.503   3.727 -1.2448  0.9509 -0.8123
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+ 2550SOL    HW1 9222   0.837   4.758   4.310  0.5685 -1.4160 -0.4799
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+ 2551SOL     OW 9224   1.220   4.061   4.978 -0.1418 -1.5575 -0.2159
+ 2551SOL    HW1 9225   1.284   4.018   4.922  2.1450  0.0270  1.0757
+ 2551SOL    HW2 9226   1.175   4.123   4.920 -0.2973 -2.4537 -1.0599
+ 2552SOL     OW 9227   1.973   3.840   6.464  0.0604 -0.4299  0.2068
+ 2552SOL    HW1 9228   2.057   3.812   6.426  0.4408  0.2268  0.5525
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+ 2553SOL     OW 9230   0.538   5.289   4.054  0.7561  0.4311  0.0015
+ 2553SOL    HW1 9231   0.478   5.354   4.090  0.2687 -0.1360  0.2158
+ 2553SOL    HW2 9232   0.621   5.336   4.046 -0.2586  1.9052 -2.4746
+ 2554SOL     OW 9233   7.920   6.683   5.787  0.6707 -0.3749  0.5199
+ 2554SOL    HW1 9234   7.948   6.627   5.715  2.1910  0.3062  0.5631
+ 2554SOL    HW2 9235   7.998   6.733   5.811 -0.1271  0.2753  1.8455
+ 2555SOL     OW 9236   7.449   3.518   5.869 -0.0418 -0.3938  0.2429
+ 2555SOL    HW1 9237   7.459   3.460   5.945 -1.4024  0.0251  0.7588
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+ 2556SOL     OW 9239   1.506   5.058   4.240 -0.1240 -0.4839  0.1422
+ 2556SOL    HW1 9240   1.442   4.990   4.260 -1.5816  0.6776 -0.4543
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+ 2557SOL    HW1 9243   6.394   3.097   4.016  2.5935  1.2373 -0.0882
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+ 2558SOL     OW 9245   1.888   4.728   6.289  0.1420 -0.1798  0.1913
+ 2558SOL    HW1 9246   1.890   4.637   6.321  0.3978 -0.6222 -1.0790
+ 2558SOL    HW2 9247   1.971   4.739   6.242  0.5341  1.0150  1.1117
+ 2559SOL     OW 9248   0.312   4.086   3.770 -0.5039 -0.4292 -0.1992
+ 2559SOL    HW1 9249   0.220   4.063   3.782 -1.0575  1.0649 -1.3341
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+ 2560SOL    HW1 9252   1.397   5.302   5.599  0.2038  0.1113 -2.1936
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+ 2561SOL     OW 9254   0.080   4.500   3.761  0.0767 -0.4010 -0.2839
+ 2561SOL    HW1 9255   0.119   4.587   3.765 -1.3493  0.2355  0.2224
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+ 2562SOL     OW 9257   6.754   3.526   5.802  0.2325  0.0057  0.5573
+ 2562SOL    HW1 9258   6.830   3.526   5.860 -0.1010 -1.0509  0.9935
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+ 2563SOL    HW1 9261   0.013   5.840   3.718  0.8156  1.0947  0.8860
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+ 2572SOL    HW1 9288   2.026   4.113   4.399  1.7842  1.0007 -0.4860
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+ 2573SOL    HW1 9291   1.159   2.698   2.524  0.3420  0.0658  1.0739
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+ 2607SOL    HW1 9393   6.408   5.318   5.843 -1.1696  0.3162  0.2312
+ 2607SOL    HW2 9394   6.414   5.399   5.715  2.4061  0.2988  0.3333
+ 2608SOL     OW 9395   2.068   6.460   5.411  0.1863 -0.4671 -0.3232
+ 2608SOL    HW1 9396   2.086   6.368   5.430 -1.0777 -0.5305  0.6283
+ 2608SOL    HW2 9397   1.993   6.458   5.352 -0.5446 -0.0129  0.5801
+ 2609SOL     OW 9398   1.644   4.862   2.992  0.6115  0.1102 -0.1822
+ 2609SOL    HW1 9399   1.575   4.875   3.057  0.0628  0.6880 -0.8714
+ 2609SOL    HW2 9400   1.723   4.896   3.035  0.3445  0.0477  0.3653
+ 2610SOL     OW 9401   1.456   4.173   7.122 -0.4994 -0.2238  0.3745
+ 2610SOL    HW1 9402   1.543   4.203   7.147 -1.5623  0.9415  2.7987
+ 2610SOL    HW2 9403   1.403   4.252   7.119 -0.9208 -0.5690 -3.7628
+ 2611SOL     OW 9404   1.741   4.512   4.591 -0.0337 -0.0599 -0.2373
+ 2611SOL    HW1 9405   1.750   4.432   4.643 -0.3625 -0.8049 -1.3248
+ 2611SOL    HW2 9406   1.674   4.491   4.526  0.6525  0.7449 -1.2198
+ 2612SOL     OW 9407   1.119   4.270   4.309 -0.1656 -0.1301 -0.6743
+ 2612SOL    HW1 9408   1.102   4.200   4.373 -0.2882 -0.7008 -1.3249
+ 2612SOL    HW2 9409   1.105   4.351   4.358 -2.3958 -0.5717 -0.5372
+ 2613SOL     OW 9410   7.469   7.326   4.442 -0.1824  0.4132  0.0750
+ 2613SOL    HW1 9411   7.525   7.257   4.406  1.6255  1.9762 -0.1825
+ 2613SOL    HW2 9412   7.406   7.280   4.497  1.1701 -1.4284  0.1198
+ 2614SOL     OW 9413   0.170   5.708   5.762 -0.4855 -0.1113  0.1843
+ 2614SOL    HW1 9414   0.202   5.632   5.809 -0.7492 -0.7703 -0.6957
+ 2614SOL    HW2 9415   0.218   5.782   5.800  0.7198 -0.8667  0.1275
+ 2615SOL     OW 9416   7.468   3.620   3.400  0.2457  0.0248  0.6794
+ 2615SOL    HW1 9417   7.409   3.570   3.457 -0.8161 -0.1342 -0.5224
+ 2615SOL    HW2 9418   7.516   3.552   3.351  1.7003  0.1446  1.8790
+ 2616SOL     OW 9419   0.931   5.285   4.991 -0.0904 -0.2865 -0.6710
+ 2616SOL    HW1 9420   0.935   5.211   4.930 -1.9583 -1.5007  0.6061
+ 2616SOL    HW2 9421   0.965   5.359   4.942 -0.4436 -1.4826 -2.7876
+ 2617SOL     OW 9422   0.973   3.495   5.310  0.1980  0.2246  0.0500
+ 2617SOL    HW1 9423   0.936   3.436   5.376 -0.2633  1.7449  1.1907
+ 2617SOL    HW2 9424   0.926   3.474   5.230 -0.4375 -0.4939  0.6033
+ 2618SOL     OW 9425   1.391   5.705   4.704  0.3754 -0.2636  0.5492
+ 2618SOL    HW1 9426   1.435   5.725   4.621  0.4890 -0.4991  0.5528
+ 2618SOL    HW2 9427   1.458   5.717   4.771 -0.3420  2.2909  0.8529
+ 2619SOL     OW 9428   7.459   3.765   3.854  0.1867 -0.0688 -0.6104
+ 2619SOL    HW1 9429   7.408   3.799   3.928  1.6727  1.2160 -0.1315
+ 2619SOL    HW2 9430   7.458   3.837   3.790  1.8800  0.2183 -0.3350
+ 2620SOL     OW 9431   1.938   4.228   2.337  0.6106  0.2742  0.0944
+ 2620SOL    HW1 9432   1.967   4.274   2.416 -0.3721 -0.1424  0.7022
+ 2620SOL    HW2 9433   2.002   4.157   2.326  0.7749  0.3624  0.4807
+ 2621SOL     OW 9434   0.535   3.480   4.852  0.5208  0.2286  0.3773
+ 2621SOL    HW1 9435   0.519   3.568   4.887 -0.5434 -0.4026  1.5022
+ 2621SOL    HW2 9436   0.457   3.430   4.876  2.1730 -1.6936  1.9667
+ 2622SOL     OW 9437   0.103   4.387   3.438  0.2557  0.5149 -0.5764
+ 2622SOL    HW1 9438   0.022   4.437   3.435  0.7892  1.5207  1.3089
+ 2622SOL    HW2 9439   0.126   4.373   3.346 -1.6635  0.8235 -1.1257
+ 2623SOL     OW 9440   7.766   5.110   3.587  0.3395 -0.2148  0.1729
+ 2623SOL    HW1 9441   7.824   5.186   3.584 -0.1906  0.2360  1.1398
+ 2623SOL    HW2 9442   7.743   5.101   3.679 -0.8724 -0.5926 -0.1569
+ 2624SOL     OW 9443   0.079   6.449   4.586  0.0274  0.1012 -0.3167
+ 2624SOL    HW1 9444   0.014   6.424   4.651 -0.2404  1.2171 -0.1396
+ 2624SOL    HW2 9445   0.162   6.415   4.619  0.0257  1.3236  1.0177
+ 2625SOL     OW 9446   1.323   4.428   4.816 -0.6444  0.2109 -0.2278
+ 2625SOL    HW1 9447   1.261   4.362   4.845  0.1243  0.0604  1.1673
+ 2625SOL    HW2 9448   1.328   4.418   4.721  0.5891 -2.7512  0.1009
+ 2626SOL     OW 9449   0.497   4.417   5.186 -0.2092  0.6131 -0.2405
+ 2626SOL    HW1 9450   0.435   4.344   5.186  1.2689 -0.6974 -1.7866
+ 2626SOL    HW2 9451   0.459   4.481   5.246 -1.1694 -1.7326  1.7342
+ 2627SOL     OW 9452   0.385   5.097   6.705 -0.3806 -0.1981  0.1510
+ 2627SOL    HW1 9453   0.475   5.127   6.700  0.2817 -2.1299  0.0292
+ 2627SOL    HW2 9454   0.359   5.111   6.796 -0.1459  0.8190  0.0704
+ 2628SOL     OW 9455   0.161   3.640   4.584 -0.1921 -0.1630  0.3181
+ 2628SOL    HW1 9456   0.200   3.636   4.497  0.3738 -0.6196  0.5904
+ 2628SOL    HW2 9457   0.161   3.733   4.606  2.1397 -0.2809  0.9405
+ 2629SOL     OW 9458   7.872   4.206   5.593 -0.3371  0.4110 -0.3438
+ 2629SOL    HW1 9459   7.885   4.114   5.566  1.9128  0.9110 -1.1217
+ 2629SOL    HW2 9460   7.895   4.207   5.686 -3.8093 -0.4623  0.5872
+ 2630SOL     OW 9461   0.260   5.621   4.752  0.1093  0.2297 -0.1432
+ 2630SOL    HW1 9462   0.249   5.627   4.658 -0.1188 -0.2462 -0.1477
+ 2630SOL    HW2 9463   0.245   5.710   4.784 -0.3197  0.2866 -0.5038
+ 2631SOL     OW 9464   2.279   3.554   4.745  0.4153 -0.2452 -0.1806
+ 2631SOL    HW1 9465   2.252   3.607   4.670  1.2102 -0.2262 -0.4537
+ 2631SOL    HW2 9466   2.245   3.467   4.726  0.7157 -0.2670 -0.6123
+ 2632SOL     OW 9467   7.343   3.230   4.742 -0.1130 -0.4242 -0.0382
+ 2632SOL    HW1 9468   7.326   3.158   4.681  0.3889  0.0771 -0.7659
+ 2632SOL    HW2 9469   7.385   3.187   4.817  0.2684 -0.8820 -0.5068
+ 2633SOL     OW 9470   0.919   6.724   4.011 -0.0422  0.3143  0.0592
+ 2633SOL    HW1 9471   0.992   6.665   3.990  0.7598  1.8922 -1.7404
+ 2633SOL    HW2 9472   0.882   6.688   4.092  0.6163 -2.4500 -0.8123
+ 2634SOL     OW 9473   7.810   5.321   4.228  0.3148 -0.1970 -0.2388
+ 2634SOL    HW1 9474   7.882   5.275   4.272  1.0324  0.3194 -0.8570
+ 2634SOL    HW2 9475   7.768   5.254   4.174  2.7737  0.2938 -2.9163
+ 2635SOL     OW 9476   1.142   2.707   3.108  0.7525  0.0211 -0.3598
+ 2635SOL    HW1 9477   1.056   2.705   3.151  0.7408  1.1049 -0.3218
+ 2635SOL    HW2 9478   1.128   2.757   3.028  1.3173  0.0611 -0.4345
+ 2636SOL     OW 9479   7.172   2.906   1.950  0.2473  0.4085  0.2832
+ 2636SOL    HW1 9480   7.247   2.857   1.917 -0.5171 -1.2206  0.8916
+ 2636SOL    HW2 9481   7.209   2.968   2.012  1.1195 -0.2786  0.4579
+ 2637SOL     OW 9482   1.389   3.514   0.369 -0.1132  0.2845 -0.4211
+ 2637SOL    HW1 9483   1.476   3.495   0.405  0.2673  2.7197  0.0543
+ 2637SOL    HW2 9484   1.370   3.604   0.398 -2.2243  0.2641 -1.6210
+ 2638SOL     OW 9485   1.820   4.200   4.180 -0.2450  0.1499  0.0206
+ 2638SOL    HW1 9486   1.825   4.228   4.272  0.7707  0.1385 -0.0257
+ 2638SOL    HW2 9487   1.730   4.169   4.170 -0.0838 -0.8049  1.2917
+ 2639SOL     OW 9488   2.661   4.520   5.350 -0.0012 -0.1148 -0.2861
+ 2639SOL    HW1 9489   2.658   4.570   5.432 -0.1790  1.1210 -1.0218
+ 2639SOL    HW2 9490   2.620   4.436   5.372 -0.0215  0.1867  0.8976
+ 2640SOL     OW 9491   2.104   4.767   5.334 -0.2010 -0.5258  0.0558
+ 2640SOL    HW1 9492   2.198   4.774   5.317  0.1962 -0.2758  2.2043
+ 2640SOL    HW2 9493   2.074   4.698   5.275  0.8864  0.9330 -2.2639
+ 2641SOL     OW 9494   7.883   3.331   3.600 -0.4278  0.3228 -0.0157
+ 2641SOL    HW1 9495   7.908   3.244   3.630  0.1168  0.5970  0.3214
+ 2641SOL    HW2 9496   7.958   3.363   3.550  0.2531  1.4623  1.6741
+ 2642SOL     OW 9497   2.725   4.141   6.831  0.0545 -0.3783  0.3643
+ 2642SOL    HW1 9498   2.663   4.209   6.858  0.0996 -0.4088  0.5413
+ 2642SOL    HW2 9499   2.702   4.123   6.740 -0.5944 -0.8155  0.6053
+ 2643SOL     OW 9500   2.316   5.769   6.704 -0.2411  0.5441  0.3545
+ 2643SOL    HW1 9501   2.285   5.859   6.718  0.9533  1.0745 -0.2943
+ 2643SOL    HW2 9502   2.246   5.728   6.654 -2.2759  0.1010  3.4671
+ 2644SOL     OW 9503   0.524   3.919   5.258 -0.1820 -0.0966 -0.1365
+ 2644SOL    HW1 9504   0.604   3.932   5.207  0.1629  1.8266  0.8638
+ 2644SOL    HW2 9505   0.549   3.943   5.347 -2.3817  2.3684 -0.1331
+ 2645SOL     OW 9506   1.027   4.136   3.824 -0.1211 -0.3252  0.0908
+ 2645SOL    HW1 9507   0.976   4.179   3.755  1.0487 -0.3100 -0.7840
+ 2645SOL    HW2 9508   1.005   4.185   3.904 -0.7443  0.2810 -0.4450
+ 2646SOL     OW 9509   7.520   3.222   5.064  0.1497 -0.1927  0.1254
+ 2646SOL    HW1 9510   7.467   3.144   5.047 -0.1187 -0.1710  0.8437
+ 2646SOL    HW2 9511   7.607   3.200   5.029 -0.6283  0.2369 -2.1789
+ 2647SOL     OW 9512   6.949   6.115   4.119 -0.4602  0.3658  1.0895
+ 2647SOL    HW1 9513   6.873   6.105   4.062  0.1758 -0.7208  0.4220
+ 2647SOL    HW2 9514   7.008   6.045   4.092  0.0218  0.1041  2.8110
+ 2648SOL     OW 9515   1.901   4.390   3.389  0.5108 -0.5171 -0.4595
+ 2648SOL    HW1 9516   1.855   4.313   3.420 -0.8181 -0.0310 -1.1842
+ 2648SOL    HW2 9517   1.988   4.358   3.364 -0.0191 -1.7680 -0.7148
+ 2649SOL     OW 9518   7.229   3.507   3.779 -0.4490  0.3940 -0.3684
+ 2649SOL    HW1 9519   7.165   3.577   3.792  0.2547  1.0468 -0.3477
+ 2649SOL    HW2 9520   7.289   3.516   3.852  1.0780  1.3653 -1.6915
+ 2650SOL     OW 9521   1.192   5.166   5.036  0.3510  0.2237  0.0664
+ 2650SOL    HW1 9522   1.112   5.189   5.083 -0.3242 -1.6451 -0.1399
+ 2650SOL    HW2 9523   1.166   5.098   4.974  1.5069  1.7085 -2.1000
+ 2651SOL     OW 9524   1.400   5.148   4.738 -0.1580  0.3688 -0.0002
+ 2651SOL    HW1 9525   1.457   5.176   4.810 -2.1334  1.5726  1.1419
+ 2651SOL    HW2 9526   1.398   5.053   4.745 -0.3819  0.4759  1.5889
+ 2652SOL     OW 9527   0.829   2.776   5.054 -0.0341  0.8162 -0.3019
+ 2652SOL    HW1 9528   0.736   2.756   5.065 -0.1490  0.6720 -1.4836
+ 2652SOL    HW2 9529   0.873   2.691   5.060 -0.0137  0.8359 -0.1609
+ 2653SOL     OW 9530   0.411   5.805   5.540 -0.0738 -0.3382  0.4023
+ 2653SOL    HW1 9531   0.354   5.836   5.611  0.8844  0.2655  0.9187
+ 2653SOL    HW2 9532   0.440   5.885   5.496  0.7693 -0.6097  0.4615
+ 2654SOL     OW 9533   2.393   6.145   5.531 -0.6602  0.0475 -0.3181
+ 2654SOL    HW1 9534   2.385   6.064   5.582 -0.9382  0.0348 -0.3834
+ 2654SOL    HW2 9535   2.480   6.179   5.555 -0.7248 -0.0376  0.0510
+ 2655SOL     OW 9536   1.181   4.250   5.451 -0.4596 -0.7520  0.2709
+ 2655SOL    HW1 9537   1.163   4.183   5.517  3.5255 -0.9699  1.2737
+ 2655SOL    HW2 9538   1.245   4.308   5.493  2.2143 -0.9215 -3.3744
+ 2656SOL     OW 9539   0.506   3.403   7.018  0.0577 -0.4440 -0.2710
+ 2656SOL    HW1 9540   0.533   3.372   7.105  1.0785  0.7255 -0.1582
+ 2656SOL    HW2 9541   0.543   3.339   6.957  0.2567 -0.6716  0.0882
+ 2657SOL     OW 9542   7.520   5.946   4.721  0.6950  0.0020  0.2356
+ 2657SOL    HW1 9543   7.611   5.974   4.723  1.1835 -1.3156 -1.8497
+ 2657SOL    HW2 9544   7.484   5.987   4.642  0.0025 -1.0429  0.0050
+ 2658SOL     OW 9545   0.672   4.151   4.898 -0.0619  0.1052 -0.5857
+ 2658SOL    HW1 9546   0.644   4.230   4.944 -2.1759 -1.8541  1.6668
+ 2658SOL    HW2 9547   0.590   4.113   4.865  0.6186 -2.3196  0.4043
+ 2659SOL     OW 9548   0.933   3.535   5.618 -0.6640 -0.3072  0.3256
+ 2659SOL    HW1 9549   0.861   3.578   5.572 -0.3681 -0.8219 -0.6348
+ 2659SOL    HW2 9550   0.937   3.447   5.580 -0.1319 -0.6042  1.0367
+ 2660SOL     OW 9551   0.772   2.809   3.426  0.2112 -0.3193 -0.3788
+ 2660SOL    HW1 9552   0.860   2.772   3.436  0.2563 -0.1279 -0.0662
+ 2660SOL    HW2 9553   0.742   2.825   3.516  0.1662  0.3541 -0.5112
+ 2661SOL     OW 9554   7.981   7.057   4.042 -0.0288  0.1052 -0.1696
+ 2661SOL    HW1 9555   7.930   7.115   4.098 -1.2047  0.0996 -1.1877
+ 2661SOL    HW2 9556   7.915   7.001   4.001  0.8850 -0.4496 -0.8907
+ 2662SOL     OW 9557   1.910   2.908   4.048  0.1285  0.2010 -0.3455
+ 2662SOL    HW1 9558   1.876   2.912   3.959  0.3522 -0.6900 -0.4803
+ 2662SOL    HW2 9559   1.835   2.930   4.104 -0.1020  0.4095 -0.7345
+ 2663SOL     OW 9560   0.604   6.428   5.719  0.2582  0.3994 -0.4539
+ 2663SOL    HW1 9561   0.546   6.478   5.662 -0.2061  0.3046 -0.0719
+ 2663SOL    HW2 9562   0.570   6.443   5.807  1.0029  0.5882 -0.1966
+ 2664SOL     OW 9563   7.323   1.063   3.709  0.1019 -0.4244 -0.1322
+ 2664SOL    HW1 9564   7.305   1.074   3.802  0.2170 -1.2566 -0.0024
+ 2664SOL    HW2 9565   7.254   1.112   3.664 -2.0015 -2.8059  0.3623
+ 2665SOL     OW 9566   0.809   4.845   5.422 -0.2649 -0.1157  0.1783
+ 2665SOL    HW1 9567   0.897   4.883   5.413 -0.8265  0.5463 -3.2674
+ 2665SOL    HW2 9568   0.806   4.776   5.356 -1.9235 -0.9726  1.1328
+ 2666SOL     OW 9569   1.641   4.431   3.739  0.1658 -0.0015 -0.4498
+ 2666SOL    HW1 9570   1.701   4.380   3.793  0.3952  0.8367  0.1065
+ 2666SOL    HW2 9571   1.555   4.416   3.779  0.2191 -0.0568 -0.3560
+ 2667SOL     OW 9572   0.694   5.817   5.858  0.1969 -0.2787  0.3701
+ 2667SOL    HW1 9573   0.669   5.746   5.799 -1.3430 -1.2286  2.1036
+ 2667SOL    HW2 9574   0.638   5.891   5.831 -2.6598 -1.5799  2.4572
+ 2668SOL     OW 9575   0.998   6.748   6.834 -0.3302  0.2799  0.3951
+ 2668SOL    HW1 9576   1.083   6.727   6.795 -1.4472  0.1417 -2.0973
+ 2668SOL    HW2 9577   0.941   6.676   6.807 -1.7431  1.4064  0.2807
+ 2669SOL     OW 9578   6.838   4.489   5.977 -0.2207 -0.1811 -0.4643
+ 2669SOL    HW1 9579   6.918   4.460   6.021 -0.1957  0.5255 -0.0246
+ 2669SOL    HW2 9580   6.779   4.513   6.049 -0.8810 -0.8425 -0.7835
+ 2670SOL     OW 9581   2.124   4.180   3.517  0.6319  0.0970  0.0520
+ 2670SOL    HW1 9582   2.071   4.239   3.570  0.8042 -0.1009  0.4505
+ 2670SOL    HW2 9583   2.139   4.227   3.435 -1.6106 -0.5439 -0.7546
+ 2671SOL     OW 9584   1.961   3.805   4.300 -0.3919  0.1064  0.1841
+ 2671SOL    HW1 9585   1.934   3.804   4.209  0.0884  1.0446  0.0234
+ 2671SOL    HW2 9586   1.985   3.896   4.317  1.4204 -0.4492  0.6778
+ 2672SOL     OW 9587   0.426   6.054   5.375  0.0063  0.3871 -0.4442
+ 2672SOL    HW1 9588   0.476   6.115   5.320  0.2508  0.2435 -0.3839
+ 2672SOL    HW2 9589   0.358   6.108   5.415 -1.9949 -0.0561 -3.1289
+ 2673SOL     OW 9590   7.705   4.342   4.555  0.1710  0.1644  0.5840
+ 2673SOL    HW1 9591   7.662   4.270   4.601  0.2980  0.7853  1.6844
+ 2673SOL    HW2 9592   7.787   4.305   4.523 -0.1237 -0.3906  0.4762
+ 2674SOL     OW 9593   7.484   2.958   5.145  0.2890 -0.0268  0.5776
+ 2674SOL    HW1 9594   7.577   2.939   5.139  0.5549  0.5904  2.3960
+ 2674SOL    HW2 9595   7.464   2.953   5.238 -1.4364  0.1474  0.2449
+ 2675SOL     OW 9596   7.589   6.226   6.272  0.0733  0.2185 -0.6460
+ 2675SOL    HW1 9597   7.565   6.312   6.237  0.2341  0.3593 -0.4148
+ 2675SOL    HW2 9598   7.562   6.229   6.364 -0.9476 -0.3903 -0.9279
+ 2676SOL     OW 9599   1.314   4.315   3.619  0.3068  0.2901 -0.0371
+ 2676SOL    HW1 9600   1.304   4.392   3.563  0.0048  0.7809  0.6821
+ 2676SOL    HW2 9601   1.363   4.252   3.566  0.6295  1.0103 -0.5938
+ 2677SOL     OW 9602   0.024   5.004   4.870 -0.6184  0.0783  0.0351
+ 2677SOL    HW1 9603   0.028   4.917   4.910  1.0434 -0.7816 -1.8470
+ 2677SOL    HW2 9604   0.010   5.064   4.942 -2.3196 -1.7984  1.3208
+ 2678SOL     OW 9605   0.105   6.282   4.357  0.6941 -0.4003 -0.5538
+ 2678SOL    HW1 9606   0.129   6.343   4.427  0.8755 -0.4409 -0.5790
+ 2678SOL    HW2 9607   0.100   6.336   4.278  1.1582 -0.4707 -0.6319
+ 2679SOL     OW 9608   7.068   3.345   6.911 -0.0913 -0.1748  0.3258
+ 2679SOL    HW1 9609   7.051   3.253   6.931 -0.2125 -0.4034 -0.7737
+ 2679SOL    HW2 9610   7.158   3.346   6.879  0.2108  0.2319  1.1745
+ 2680SOL     OW 9611   2.323   6.803   5.682  0.2655  0.0101  0.4526
+ 2680SOL    HW1 9612   2.361   6.797   5.770 -0.7815 -0.7409  0.8683
+ 2680SOL    HW2 9613   2.329   6.714   5.648 -0.0770  0.1303  0.0774
+ 2681SOL     OW 9614   2.418   4.699   6.034  0.4753 -0.8541  0.3228
+ 2681SOL    HW1 9615   2.375   4.636   6.091  1.1781 -0.4954  1.2557
+ 2681SOL    HW2 9616   2.402   4.784   6.076 -0.4051 -0.4071 -0.8864
+ 2682SOL     OW 9617   7.917   5.495   5.966  0.3545  0.2192 -0.2727
+ 2682SOL    HW1 9618   8.001   5.468   5.929  0.0384  0.7635 -1.4024
+ 2682SOL    HW2 9619   7.852   5.455   5.909 -0.1480  0.0096  0.4503
+ 2683SOL     OW 9620   1.572   5.006   4.517  0.0217 -0.1603 -0.0887
+ 2683SOL    HW1 9621   1.629   4.935   4.547 -1.6152 -1.6622 -0.4317
+ 2683SOL    HW2 9622   1.496   5.002   4.574 -0.3808  0.8956 -0.5399
+ 2684SOL     OW 9623   7.954   5.037   3.898 -0.2380  0.3537  0.5835
+ 2684SOL    HW1 9624   7.952   4.948   3.934  0.4089 -0.3825 -1.1330
+ 2684SOL    HW2 9625   7.975   5.093   3.973 -2.5839 -0.7027  2.1012
+ 2685SOL     OW 9626   2.214   4.830   4.615 -0.1065  0.6465  0.2725
+ 2685SOL    HW1 9627   2.230   4.755   4.558  0.8549 -0.6654  2.2120
+ 2685SOL    HW2 9628   2.290   4.887   4.602  0.7371 -0.2564  1.1522
+ 2686SOL     OW 9629   7.425   6.150   2.206  0.1815 -0.1057  0.1090
+ 2686SOL    HW1 9630   7.383   6.076   2.251 -1.8731  0.4612 -0.7953
+ 2686SOL    HW2 9631   7.467   6.110   2.130  0.8093 -0.6083  0.7111
+ 2687SOL     OW 9632   0.987   3.279   3.933 -0.2592 -0.4896  0.0035
+ 2687SOL    HW1 9633   0.921   3.210   3.929 -2.2826  1.3542  0.5198
+ 2687SOL    HW2 9634   0.988   3.317   3.845  0.2147 -0.6133 -0.0438
+ 2688SOL     OW 9635   0.139   5.750   3.158  0.2432 -0.4832  0.0117
+ 2688SOL    HW1 9636   0.161   5.835   3.199 -0.4558  0.2232 -1.0617
+ 2688SOL    HW2 9637   0.162   5.685   3.225  0.9684  0.5384  0.7804
+ 2689SOL     OW 9638   0.311   5.357   5.076  0.3589 -0.3570  0.3098
+ 2689SOL    HW1 9639   0.339   5.269   5.102 -1.0242 -0.6761  0.7822
+ 2689SOL    HW2 9640   0.216   5.352   5.073  0.3395  0.6526 -1.4182
+ 2690SOL     OW 9641   0.769   3.307   6.458 -0.0371  0.0109  0.4668
+ 2690SOL    HW1 9642   0.683   3.269   6.477  0.0769 -0.8487 -0.6973
+ 2690SOL    HW2 9643   0.805   3.251   6.389  0.1863  2.1823 -1.2072
+ 2691SOL     OW 9644   2.988   4.181   5.783  0.4996  0.1046 -0.2528
+ 2691SOL    HW1 9645   2.899   4.204   5.758  0.4256  0.3716  0.2344
+ 2691SOL    HW2 9646   3.007   4.237   5.859  0.4670 -1.1610  0.6970
+ 2692SOL     OW 9647   7.437   5.379   3.901 -0.1760  0.0746  0.0314
+ 2692SOL    HW1 9648   7.388   5.297   3.892 -0.7798  0.4312  0.1028
+ 2692SOL    HW2 9649   7.498   5.362   3.974 -0.6682 -0.1325  0.3962
+ 2693SOL     OW 9650   1.171   5.720   5.573 -0.8098  0.5822  0.0482
+ 2693SOL    HW1 9651   1.251   5.692   5.619  0.0899  3.1858  0.1472
+ 2693SOL    HW2 9652   1.112   5.748   5.643 -1.8716 -1.4056 -0.0211
+ 2694SOL     OW 9653   1.947   5.824   7.400 -0.0020 -0.4791 -0.0055
+ 2694SOL    HW1 9654   1.923   5.835   7.492 -0.8261 -0.2767 -0.2450
+ 2694SOL    HW2 9655   1.959   5.914   7.368 -0.1423 -0.5350 -0.2117
+ 2695SOL     OW 9656   0.196   3.917   3.144 -0.1895 -0.2618 -0.8951
+ 2695SOL    HW1 9657   0.191   3.827   3.111 -0.7321  0.1401 -1.9302
+ 2695SOL    HW2 9658   0.114   3.958   3.114  0.5340  0.8760 -1.3324
+ 2696SOL     OW 9659   0.220   5.827   5.031  0.0802 -0.2115  0.0689
+ 2696SOL    HW1 9660   0.134   5.786   5.023  0.9463 -2.0948  0.2366
+ 2696SOL    HW2 9661   0.222   5.863   5.120 -1.2256  1.5065 -0.5671
+ 2697SOL     OW 9662   0.792   4.793   4.667  0.0820  0.1333  0.5292
+ 2697SOL    HW1 9663   0.786   4.753   4.580  0.0240 -0.0224  0.6031
+ 2697SOL    HW2 9664   0.709   4.839   4.678  0.4710  0.9470  0.1191
+ 2698SOL     OW 9665   0.726   6.158   4.562  0.3153  0.1122 -0.2929
+ 2698SOL    HW1 9666   0.761   6.087   4.509  0.0194 -0.5170  0.3422
+ 2698SOL    HW2 9667   0.734   6.126   4.652 -0.5010  0.5855 -0.0545
+ 2699SOL     OW 9668   1.600   4.627   5.542  0.0329 -0.0223  0.4844
+ 2699SOL    HW1 9669   1.642   4.708   5.570  0.2602 -0.5067  1.5352
+ 2699SOL    HW2 9670   1.671   4.574   5.506  0.4853 -1.1716  3.0031
+ 2700SOL     OW 9671   1.326   5.457   4.220 -0.0037 -0.2721  0.6145
+ 2700SOL    HW1 9672   1.394   5.524   4.213  0.8647 -1.3890 -2.7992
+ 2700SOL    HW2 9673   1.358   5.397   4.287  0.7909  0.9637  1.3517
+ 2701SOL     OW 9674   7.856   7.038   4.568 -0.2489 -0.2877 -0.6877
+ 2701SOL    HW1 9675   7.815   7.110   4.519  0.9268  2.0276  1.6348
+ 2701SOL    HW2 9676   7.848   6.962   4.510 -5.0396  0.7610 -1.6195
+ 2702SOL     OW 9677   0.641   5.767   3.984 -0.4177 -0.0689  0.3513
+ 2702SOL    HW1 9678   0.660   5.710   3.910 -0.1639  0.6348 -0.1321
+ 2702SOL    HW2 9679   0.636   5.708   4.060 -1.0945 -0.8398 -0.2892
+ 2703SOL     OW 9680   1.974   4.530   4.770 -0.1009  0.1183 -0.0010
+ 2703SOL    HW1 9681   2.050   4.484   4.734  0.9511  2.2209 -0.5511
+ 2703SOL    HW2 9682   1.939   4.580   4.696 -1.9835 -0.7145  0.2726
+ 2704SOL     OW 9683   2.481   4.206   4.181 -0.1173  0.4366 -0.1096
+ 2704SOL    HW1 9684   2.470   4.128   4.127  1.3346 -1.2207  1.9026
+ 2704SOL    HW2 9685   2.515   4.272   4.121 -4.4036  0.5915 -2.5751
+ 2705SOL     OW 9686   7.670   4.066   5.951  0.0278 -0.1393 -0.3885
+ 2705SOL    HW1 9687   7.632   4.067   6.038 -0.2129 -3.2832 -0.4017
+ 2705SOL    HW2 9688   7.595   4.067   5.891  0.1567  0.4681 -0.5467
+ 2706SOL     OW 9689   2.231   4.464   4.991  0.8162 -0.7425  0.3636
+ 2706SOL    HW1 9690   2.199   4.375   4.977 -3.1717  0.3385  2.0625
+ 2706SOL    HW2 9691   2.288   4.457   5.068 -0.1486 -1.6882  1.0016
+ 2707SOL     OW 9692   1.562   6.528   5.897 -0.8486 -0.2125  0.2486
+ 2707SOL    HW1 9693   1.482   6.559   5.856 -0.9802  0.2308  0.8393
+ 2707SOL    HW2 9694   1.632   6.578   5.854 -0.7354 -1.7761 -1.4347
+ 2708SOL     OW 9695   7.110   6.148   2.376 -0.4844 -0.5335  0.8084
+ 2708SOL    HW1 9696   7.101   6.065   2.421 -1.2108 -0.8757  0.0387
+ 2708SOL    HW2 9697   7.106   6.126   2.283 -1.8746  0.4949  0.6102
+ 2709SOL     OW 9698   1.719   6.947   1.914 -0.0649  0.2634 -0.3152
+ 2709SOL    HW1 9699   1.674   6.988   1.988  0.3092 -0.0628  0.0950
+ 2709SOL    HW2 9700   1.811   6.972   1.924 -0.0903  0.6269 -0.9492
+ 2710SOL     OW 9701   7.463   6.033   3.084 -0.1420  0.2179 -0.1836
+ 2710SOL    HW1 9702   7.436   6.025   3.176  1.5065  0.6348  0.3618
+ 2710SOL    HW2 9703   7.424   6.116   3.055  0.1747  0.5946  0.4541
+ 2711SOL     OW 9704   2.165   3.459   5.897 -0.0813  0.1039 -0.3289
+ 2711SOL    HW1 9705   2.233   3.462   5.964 -0.8311  0.6396  0.4177
+ 2711SOL    HW2 9706   2.084   3.445   5.945 -0.4519 -1.0274 -1.2551
+ 2712SOL     OW 9707   1.257   7.167   3.355 -0.7522  0.3120 -0.2585
+ 2712SOL    HW1 9708   1.163   7.177   3.340 -0.5824  1.5261 -0.6009
+ 2712SOL    HW2 9709   1.296   7.175   3.268 -0.2379  1.1488  0.0416
+ 2713SOL     OW 9710   2.201   4.443   3.971  0.6078  0.3698  0.1037
+ 2713SOL    HW1 9711   2.171   4.386   4.042 -1.3915 -0.4242 -1.3234
+ 2713SOL    HW2 9712   2.175   4.531   3.998 -0.7001 -0.0036  0.0803
+ 2714SOL     OW 9713   5.805   5.166   1.908  0.9377  0.3668 -0.3239
+ 2714SOL    HW1 9714   5.836   5.103   1.843  2.0460 -0.0437  0.5708
+ 2714SOL    HW2 9715   5.715   5.139   1.927  0.8225  0.1093 -1.2260
+ 2715SOL     OW 9716   1.509   3.825   3.102 -0.4776  0.7729  0.2003
+ 2715SOL    HW1 9717   1.426   3.852   3.062 -1.1201  0.9336  1.5771
+ 2715SOL    HW2 9718   1.493   3.735   3.131 -0.0710  0.7008  0.1980
+ 2716SOL     OW 9719   7.865   4.531   3.365  0.4062  0.1651 -0.6773
+ 2716SOL    HW1 9720   7.872   4.626   3.363 -1.1224  0.2848 -1.2271
+ 2716SOL    HW2 9721   7.798   4.513   3.431 -1.5204 -0.3622 -2.7279
+ 2717SOL     OW 9722   1.611   5.157   5.717 -0.0508 -0.7670  0.2760
+ 2717SOL    HW1 9723   1.680   5.213   5.753  1.0706 -1.7864 -0.2469
+ 2717SOL    HW2 9724   1.628   5.156   5.623 -1.0863 -0.6148  0.0874
+ 2718SOL     OW 9725   0.579   4.137   6.537  0.5810 -0.0152 -0.2027
+ 2718SOL    HW1 9726   0.621   4.126   6.623  0.7907  1.3993 -0.1232
+ 2718SOL    HW2 9727   0.554   4.048   6.512 -0.6578 -0.2975  1.9270
+ 2719SOL     OW 9728   7.069   5.094   4.893 -0.1465  0.6739  0.2425
+ 2719SOL    HW1 9729   7.040   5.170   4.842  0.9033 -0.5148 -2.2073
+ 2719SOL    HW2 9730   7.156   5.119   4.924 -0.2889  0.9270  0.4450
+ 2720SOL     OW 9731   1.050   4.548   4.787  0.1708  0.1550  0.1189
+ 2720SOL    HW1 9732   1.003   4.520   4.708 -1.5076  0.0479  1.1418
+ 2720SOL    HW2 9733   1.102   4.472   4.812 -0.8359 -0.4982  0.2598
+ 2721SOL     OW 9734   1.673   2.887   3.541 -0.0532 -0.0665  0.0094
+ 2721SOL    HW1 9735   1.698   2.801   3.508 -0.1017 -0.7957  1.8208
+ 2721SOL    HW2 9736   1.594   2.910   3.492 -1.2486 -1.9937  0.9577
+ 2722SOL     OW 9737   0.575   5.690   3.171  0.3654 -0.9532 -0.0620
+ 2722SOL    HW1 9738   0.647   5.750   3.150  0.2250 -0.2225  1.5102
+ 2722SOL    HW2 9739   0.507   5.746   3.208 -0.1351 -1.9664  0.5603
+ 2723SOL     OW 9740   0.340   4.480   4.546 -0.0383 -0.2015  0.0620
+ 2723SOL    HW1 9741   0.325   4.573   4.562  0.4994  0.3090 -2.2472
+ 2723SOL    HW2 9742   0.302   4.436   4.622 -0.1831  1.9102  1.2276
+ 2724SOL     OW 9743   0.547   5.509   4.795  0.0940  0.6057  0.0526
+ 2724SOL    HW1 9744   0.630   5.461   4.788  0.4372  0.9117  1.8017
+ 2724SOL    HW2 9745   0.560   5.588   4.743  0.9872  0.7755  0.5390
+ 2725SOL     OW 9746   0.954   5.838   5.728  0.4812  0.6075  0.0688
+ 2725SOL    HW1 9747   0.860   5.843   5.711  0.1948 -1.5702  0.8775
+ 2725SOL    HW2 9748   0.961   5.838   5.823  1.4065  1.9609  0.0211
+ 2726SOL     OW 9749   1.012   5.852   6.003 -0.2618  0.0880 -0.4725
+ 2726SOL    HW1 9750   1.102   5.885   5.996  0.0566 -0.3604  1.2675
+ 2726SOL    HW2 9751   0.958   5.926   5.975  0.6944 -0.2224 -3.2837
+ 2727SOL     OW 9752   6.893   6.840   4.970 -0.6407  0.2550 -0.1744
+ 2727SOL    HW1 9753   6.975   6.802   5.003  0.6218  2.9107 -0.1007
+ 2727SOL    HW2 9754   6.875   6.791   4.890  0.2306 -1.3409  0.5738
+ 2728SOL     OW 9755   2.213   3.765   4.535  0.3855  0.1511 -0.4976
+ 2728SOL    HW1 9756   2.237   3.834   4.598 -0.3307  0.1468 -0.2200
+ 2728SOL    HW2 9757   2.140   3.802   4.486 -0.6449 -0.7776  0.3031
+ 2729SOL     OW 9758   1.475   4.708   4.877  0.8234  0.3120 -0.3412
+ 2729SOL    HW1 9759   1.524   4.762   4.940  0.4680  0.0408  0.1788
+ 2729SOL    HW2 9760   1.529   4.630   4.865  0.6022  0.0830  0.1128
+ 2730SOL     OW 9761   0.447   3.310   4.617 -0.1723  0.0475  0.0409
+ 2730SOL    HW1 9762   0.402   3.228   4.600  0.1691  0.0573 -0.9200
+ 2730SOL    HW2 9763   0.523   3.285   4.671  0.5390 -0.4262 -1.1504
+ 2731SOL     OW 9764   7.633   4.619   7.349 -0.1402  0.2672  0.2378
+ 2731SOL    HW1 9765   7.684   4.667   7.414  0.1100 -0.1806  0.3763
+ 2731SOL    HW2 9766   7.697   4.594   7.282 -0.2510  0.0410  0.2166
+ 2732SOL     OW 9767   2.415   3.763   5.455  0.5125  0.6263 -0.3925
+ 2732SOL    HW1 9768   2.406   3.742   5.548 -4.0421 -1.8445 -1.2324
+ 2732SOL    HW2 9769   2.424   3.678   5.412 -0.6119  1.4942 -2.4352
+ 2733SOL     OW 9770   0.078   6.371   5.773  0.2440 -0.1213 -0.1199
+ 2733SOL    HW1 9771   0.056   6.424   5.849 -1.5890 -0.3357 -0.4871
+ 2733SOL    HW2 9772   0.072   6.280   5.804  0.2741 -0.1911 -0.3156
+ 2734SOL     OW 9773   6.866   6.431   4.768  0.5159  0.5038 -0.0769
+ 2734SOL    HW1 9774   6.887   6.382   4.689  0.5398 -0.1477  0.3253
+ 2734SOL    HW2 9775   6.803   6.376   4.814  0.6824  0.7643  0.4678
+ 2735SOL     OW 9776   0.326   5.925   5.859  0.4801 -0.2357 -0.4716
+ 2735SOL    HW1 9777   0.340   5.914   5.953 -0.7530  0.1789 -0.2391
+ 2735SOL    HW2 9778   0.405   5.970   5.828  1.2716 -1.1364  0.2061
+ 2736SOL     OW 9779   0.696   2.238   3.442 -0.2416  0.3207  0.1995
+ 2736SOL    HW1 9780   0.678   2.325   3.476 -2.7228  0.4112 -1.2285
+ 2736SOL    HW2 9781   0.782   2.246   3.400  0.2913  1.6242  1.4993
+ 2737SOL     OW 9782   2.503   6.902   4.061 -0.1888 -0.8501  0.4076
+ 2737SOL    HW1 9783   2.490   6.987   4.104 -0.1521 -0.4316 -0.3950
+ 2737SOL    HW2 9784   2.430   6.848   4.091  0.6628 -1.0408  2.1571
+ 2738SOL     OW 9785   7.421   4.982   6.157  0.0360  0.3227 -0.5598
+ 2738SOL    HW1 9786   7.485   4.930   6.108  1.2776  0.9130  0.3793
+ 2738SOL    HW2 9787   7.368   5.025   6.090  0.2115 -0.6850 -1.3539
+ 2739SOL     OW 9788   7.333   5.536   3.690 -0.0965  0.1902 -0.0926
+ 2739SOL    HW1 9789   7.340   5.486   3.772  1.5123 -1.6053 -1.2741
+ 2739SOL    HW2 9790   7.413   5.587   3.686 -0.1913  0.3048 -0.5460
+ 2740SOL     OW 9791   0.491   6.715   6.151 -0.6796  0.1207 -0.1581
+ 2740SOL    HW1 9792   0.524   6.792   6.196 -1.0957  0.0950  0.1943
+ 2740SOL    HW2 9793   0.417   6.747   6.099 -0.0281  0.2073 -1.0555
+ 2741SOL     OW 9794   0.629   3.470   4.381 -0.3333 -0.1817  0.3713
+ 2741SOL    HW1 9795   0.650   3.378   4.392 -0.6744 -0.7580 -3.1391
+ 2741SOL    HW2 9796   0.558   3.472   4.317  0.9051  2.5706 -1.0378
+ 2742SOL     OW 9797   0.107   3.417   3.794 -0.0921 -1.0776  0.2810
+ 2742SOL    HW1 9798   0.025   3.420   3.746 -0.7525 -0.1441  1.4552
+ 2742SOL    HW2 9799   0.174   3.434   3.727 -1.0245  0.6402 -0.2513
+ 2743SOL     OW 9800   2.518   3.451   4.592 -0.0978 -0.7463 -0.2521
+ 2743SOL    HW1 9801   2.442   3.391   4.588 -0.0210 -0.7705 -1.4888
+ 2743SOL    HW2 9802   2.536   3.459   4.686 -2.2304  0.0145  0.1355
+ 2744SOL     OW 9803   7.888   4.249   5.886  0.3896 -0.2981 -0.3560
+ 2744SOL    HW1 9804   7.910   4.315   5.952 -2.5543 -0.7668  1.1534
+ 2744SOL    HW2 9805   7.829   4.189   5.930  1.1756 -2.6795 -2.4159
+ 2745SOL     OW 9806   0.451   5.809   4.894 -0.6078  0.3897 -0.2968
+ 2745SOL    HW1 9807   0.467   5.714   4.901 -0.2960  0.3570 -1.4369
+ 2745SOL    HW2 9808   0.366   5.821   4.937 -0.6746 -0.4099 -0.1826
+ 2746SOL     OW 9809   1.735   4.588   5.216  1.0367 -0.0922  0.0484
+ 2746SOL    HW1 9810   1.826   4.562   5.200  0.8486 -0.8709  0.1885
+ 2746SOL    HW2 9811   1.741   4.669   5.265  1.6465  1.0932 -1.9370
+ 2747SOL     OW 9812   0.716   4.302   5.360  0.2016 -0.1629  0.1365
+ 2747SOL    HW1 9813   0.798   4.351   5.350  1.7021 -2.4315  0.9200
+ 2747SOL    HW2 9814   0.660   4.336   5.290  1.8955  1.2426 -0.6084
+ 2748SOL     OW 9815   2.365   6.919   3.729  0.0925  0.8151  0.3364
+ 2748SOL    HW1 9816   2.435   6.859   3.757 -0.7384  0.3446  1.4222
+ 2748SOL    HW2 9817   2.293   6.901   3.789 -1.6040  0.0774 -1.8689
+ 2749SOL     OW 9818   0.964   5.689   4.486 -0.0368  0.1518  0.2404
+ 2749SOL    HW1 9819   0.997   5.606   4.520 -1.2448 -0.3314  0.2391
+ 2749SOL    HW2 9820   0.925   5.667   4.401 -0.8088  0.6212  0.4638
+ 2750SOL     OW 9821   2.367   3.567   3.316  0.7387 -0.7287  0.1252
+ 2750SOL    HW1 9822   2.451   3.540   3.279  0.1767 -0.2396 -1.5287
+ 2750SOL    HW2 9823   2.329   3.625   3.251 -2.2250 -3.2768 -0.5590
+ 2751SOL     OW 9824   0.753   3.401   4.724  0.3156 -0.7995 -0.7381
+ 2751SOL    HW1 9825   0.682   3.458   4.755  1.0245 -1.0589  1.4741
+ 2751SOL    HW2 9826   0.723   3.312   4.743  1.1790 -0.9123  0.1258
+ 2752SOL     OW 9827   1.874   3.766   4.005  0.8220 -0.1493  0.2135
+ 2752SOL    HW1 9828   1.903   3.726   3.923  0.4746 -1.4124  0.6979
+ 2752SOL    HW2 9829   1.783   3.792   3.988  1.3896  1.4540 -0.4574
+ 2753SOL     OW 9830   6.916   5.239   3.254  0.0399  0.0271  0.2159
+ 2753SOL    HW1 9831   6.894   5.209   3.343  0.1265 -0.8439 -0.0554
+ 2753SOL    HW2 9832   6.950   5.161   3.210 -2.8106 -0.3128 -1.5158
+ 2754SOL     OW 9833   1.458   5.876   3.632  0.0649 -0.1172 -0.0357
+ 2754SOL    HW1 9834   1.515   5.798   3.630 -0.2806 -0.3657 -0.3058
+ 2754SOL    HW2 9835   1.518   5.949   3.641  0.3108 -0.5271  2.1327
+ 2755SOL     OW 9836   0.150   5.263   4.832  0.0362  0.2055  0.4466
+ 2755SOL    HW1 9837   0.097   5.266   4.911 -1.3539 -0.0100 -0.4620
+ 2755SOL    HW2 9838   0.145   5.172   4.803  0.8872  0.1874  0.3234
+ 2756SOL     OW 9839   0.905   4.284   6.397 -0.4894  0.1588  0.8620
+ 2756SOL    HW1 9840   0.996   4.312   6.384 -0.3332 -0.3442  0.8605
+ 2756SOL    HW2 9841   0.912   4.197   6.435 -0.9776 -0.3124 -0.1097
+ 2757SOL     OW 9842   0.517   3.918   6.861  0.0159  0.3791 -0.2225
+ 2757SOL    HW1 9843   0.459   3.994   6.853 -0.2152  0.2767  0.4330
+ 2757SOL    HW2 9844   0.602   3.950   6.832  0.1664  1.2044  1.0474
+ 2758SOL     OW 9845   7.891   4.280   7.488 -0.0853 -0.2541 -0.5688
+ 2758SOL    HW1 9846   7.907   4.354   7.429  0.0817  0.1951  0.0328
+ 2758SOL    HW2 9847   7.931   4.307   7.571  0.5184 -1.2792 -0.5186
+ 2759SOL     OW 9848   1.599   6.026   6.450 -0.1316 -0.5366 -0.1697
+ 2759SOL    HW1 9849   1.664   5.985   6.393 -1.0022 -1.2019 -0.6934
+ 2759SOL    HW2 9850   1.603   5.976   6.531  0.1784 -0.4240 -0.1151
+ 2760SOL     OW 9851   1.059   5.707   6.681 -0.3809 -0.0223 -0.1807
+ 2760SOL    HW1 9852   1.100   5.677   6.762  0.7986 -0.4984 -0.9348
+ 2760SOL    HW2 9853   1.034   5.797   6.698  0.9800  0.2737  0.3021
+ 2761SOL     OW 9854   0.775   4.642   5.240  0.1856 -0.0946  0.2942
+ 2761SOL    HW1 9855   0.867   4.617   5.229  0.5235  1.1535  0.1331
+ 2761SOL    HW2 9856   0.733   4.619   5.158  0.9392  1.7286 -0.6360
+ 2762SOL     OW 9857   1.575   4.276   6.200  0.2324  0.7892  0.2547
+ 2762SOL    HW1 9858   1.555   4.324   6.281  1.7581 -1.3373  1.9648
+ 2762SOL    HW2 9859   1.528   4.193   6.210  0.9645  0.2437 -0.7428
+ 2763SOL     OW 9860   0.411   5.460   0.344  0.0519 -0.8371 -0.4535
+ 2763SOL    HW1 9861   0.441   5.380   0.387 -2.0670 -2.2054 -1.4163
+ 2763SOL    HW2 9862   0.448   5.455   0.255 -0.5405 -1.0500 -0.6934
+ 2764SOL     OW 9863   2.584   5.367   5.906  0.2972 -0.3041  0.3041
+ 2764SOL    HW1 9864   2.635   5.327   5.835 -0.1251 -0.4902  0.1032
+ 2764SOL    HW2 9865   2.529   5.296   5.939 -0.2710  0.0457  0.1173
+ 2765SOL     OW 9866   0.802   5.009   6.155 -0.0472 -0.1493 -0.3767
+ 2765SOL    HW1 9867   0.865   4.960   6.103 -0.7041 -0.0622 -1.2694
+ 2765SOL    HW2 9868   0.851   5.038   6.232  1.1939  0.5005 -1.3912
+ 2766SOL     OW 9869   1.328   5.232   6.093  0.1602 -0.3430  0.1510
+ 2766SOL    HW1 9870   1.334   5.272   6.180  0.4447  1.3001 -0.6113
+ 2766SOL    HW2 9871   1.307   5.304   6.034  0.0089 -1.4342 -1.1641
+ 2767SOL     OW 9872   0.110   5.368   1.219  0.0036 -0.1216  0.3032
+ 2767SOL    HW1 9873   0.179   5.330   1.164  1.6165  0.8835  1.5924
+ 2767SOL    HW2 9874   0.031   5.319   1.195  1.5273 -2.6561  0.2078
+ 2768SOL     OW 9875   1.002   3.036   5.884 -0.1020  0.3996  0.1773
+ 2768SOL    HW1 9876   1.055   3.090   5.942 -0.2186 -0.2202  0.8650
+ 2768SOL    HW2 9877   1.063   2.969   5.852 -0.6766 -0.8749  1.6980
+ 2769SOL     OW 9878   7.118   6.290   5.560  0.4934 -0.0636  0.0362
+ 2769SOL    HW1 9879   7.148   6.284   5.650  0.1341 -1.4852  0.0709
+ 2769SOL    HW2 9880   7.191   6.258   5.508  1.1901  1.9536 -0.2947
+ 2770SOL     OW 9881   7.700   4.030   5.326 -0.1700 -0.2275  0.2474
+ 2770SOL    HW1 9882   7.680   3.973   5.401 -2.0041 -0.6254 -0.5012
+ 2770SOL    HW2 9883   7.614   4.049   5.288  0.6194  1.2317 -0.8463
+ 2771SOL     OW 9884   0.287   5.676   7.217  0.3273  0.1792  0.0128
+ 2771SOL    HW1 9885   0.359   5.615   7.236  0.5336  0.1246 -0.9412
+ 2771SOL    HW2 9886   0.214   5.642   7.269  0.7221 -0.3020  0.2694
+ 2772SOL     OW 9887   0.124   5.183   4.521  0.0190  0.4002 -0.5158
+ 2772SOL    HW1 9888   0.059   5.181   4.451 -0.6328 -0.4334  0.1042
+ 2772SOL    HW2 9889   0.133   5.092   4.548  1.8862  0.4229 -0.9911
+ 2773SOL     OW 9890   0.201   6.179   5.481 -0.1412  0.4377  0.0898
+ 2773SOL    HW1 9891   0.163   6.121   5.547  0.4676 -1.4805 -1.1891
+ 2773SOL    HW2 9892   0.127   6.205   5.427  0.1657 -2.6540 -1.9226
+ 2774SOL     OW 9893   0.003   4.678   0.218  0.5125 -0.0110  0.0655
+ 2774SOL    HW1 9894   0.046   4.681   0.303  0.4146 -0.4163  0.1289
+ 2774SOL    HW2 9895  -0.086   4.647   0.237  1.0512 -1.9247 -0.4072
+ 2775SOL     OW 9896   0.603   5.507   5.806  0.3040  0.4118 -0.0164
+ 2775SOL    HW1 9897   0.662   5.499   5.881 -0.2111  1.6357  0.5305
+ 2775SOL    HW2 9898   0.570   5.418   5.792 -0.1549  0.2988  1.6734
+ 2776SOL     OW 9899   0.242   2.346   2.169 -1.0007  0.1699 -0.5927
+ 2776SOL    HW1 9900   0.261   2.260   2.131  0.7498 -0.0027  0.6200
+ 2776SOL    HW2 9901   0.195   2.327   2.250 -0.6679  0.3479 -0.3549
+ 2777SOL     OW 9902   7.857   4.885   6.182 -0.0885 -0.3063  0.0746
+ 2777SOL    HW1 9903   7.779   4.934   6.209 -1.3235 -1.4819 -1.2879
+ 2777SOL    HW2 9904   7.902   4.943   6.120  0.1826  0.3969  0.9083
+ 2778SOL     OW 9905   0.299   4.734   3.494 -0.7339 -0.2515  0.2440
+ 2778SOL    HW1 9906   0.370   4.789   3.528  0.6208 -2.1594  0.5897
+ 2778SOL    HW2 9907   0.235   4.730   3.565 -1.5181  1.9823 -0.2929
+ 2779SOL     OW 9908   7.082   4.107   6.131 -0.3023  0.6573 -0.2705
+ 2779SOL    HW1 9909   7.149   4.094   6.064 -0.8651 -0.6609 -0.6026
+ 2779SOL    HW2 9910   7.054   4.198   6.121  0.7121  0.9201 -0.7920
+ 2780SOL     OW 9911   0.471   6.428   5.967 -0.3578 -0.2426  0.0417
+ 2780SOL    HW1 9912   0.452   6.344   6.008 -0.2403 -0.4928 -0.4193
+ 2780SOL    HW2 9913   0.402   6.486   5.998 -0.5602 -0.5663  0.1916
+ 2781SOL     OW 9914   0.042   6.429   6.929 -0.1800  0.1856 -0.3286
+ 2781SOL    HW1 9915   0.053   6.523   6.915 -0.1885  0.1490 -0.5814
+ 2781SOL    HW2 9916  -0.049   6.420   6.957  0.2219  0.4051  1.0668
+ 2782SOL     OW 9917   0.247   4.077   7.961  0.1879 -0.0503 -0.0628
+ 2782SOL    HW1 9918   0.242   4.069   7.866  0.9499  2.2620 -0.3355
+ 2782SOL    HW2 9919   0.331   4.121   7.977 -0.1235 -0.0373  1.6469
+ 2783SOL     OW 9920   2.572   5.642   7.165  0.2454 -0.3907  0.0784
+ 2783SOL    HW1 9921   2.520   5.562   7.172  0.3011 -0.4224  0.1230
+ 2783SOL    HW2 9922   2.591   5.650   7.071 -2.5935  1.3597 -0.4337
+ 2784SOL     OW 9923   2.687   4.567   5.633 -0.2608  0.1509 -0.5049
+ 2784SOL    HW1 9924   2.746   4.640   5.652 -0.8004  0.5741 -0.4277
+ 2784SOL    HW2 9925   2.601   4.598   5.662 -0.4283 -0.6630 -0.1206
+ 2785SOL     OW 9926   7.721   5.934   7.187  0.5036  0.0983 -0.0519
+ 2785SOL    HW1 9927   7.691   6.007   7.133  1.2422  0.5769  0.1713
+ 2785SOL    HW2 9928   7.720   5.858   7.129  0.5101  0.4487 -0.5132
+ 2786SOL     OW 9929   2.871   4.784   5.679 -0.2041 -0.3627 -0.9793
+ 2786SOL    HW1 9930   2.916   4.793   5.595 -0.9376 -0.3897 -1.3776
+ 2786SOL    HW2 9931   2.840   4.872   5.700  0.3978 -0.2653 -0.5015
+ 2787SOL     OW 9932   6.646   5.485   7.138  0.3968 -0.4762 -0.0504
+ 2787SOL    HW1 9933   6.623   5.573   7.110 -1.6123 -0.8924  0.2280
+ 2787SOL    HW2 9934   6.658   5.436   7.057 -0.4038 -0.4182 -0.2114
+ 2788SOL     OW 9935   6.867   3.952   7.149  0.3638 -0.2018 -0.1150
+ 2788SOL    HW1 9936   6.861   3.885   7.081  0.2677 -1.2130  0.8767
+ 2788SOL    HW2 9937   6.803   4.018   7.123 -0.3107 -1.0103 -0.5197
+ 2789SOL     OW 9938   0.924   5.848   6.988 -0.3481 -0.1537  0.1118
+ 2789SOL    HW1 9939   0.854   5.846   7.054 -0.2747 -0.9151  0.1718
+ 2789SOL    HW2 9940   0.990   5.906   7.025 -0.5216 -0.2043  0.5022
+ 2790SOL     OW 9941   3.110   0.181   6.640  0.3393  0.0168 -0.1072
+ 2790SOL    HW1 9942   3.036   0.209   6.694 -0.8590  0.8214 -2.1130
+ 2790SOL    HW2 9943   3.186   0.190   6.697 -1.0139 -0.1988  1.7822
+ 2791SOL     OW 9944   1.224   5.494   6.102 -0.0260 -0.4042 -0.0838
+ 2791SOL    HW1 9945   1.266   5.574   6.070 -1.0497 -0.7325 -2.3553
+ 2791SOL    HW2 9946   1.137   5.521   6.128 -0.7939 -0.9375 -1.9706
+ 2792SOL     OW 9947   2.709   5.103   5.084 -0.5706 -0.1632 -0.3062
+ 2792SOL    HW1 9948   2.732   5.136   4.997 -0.1490 -1.5758 -0.7435
+ 2792SOL    HW2 9949   2.678   5.180   5.131 -2.6138  0.2944 -2.3191
+ 2793SOL     OW 9950   2.117   6.490   6.738 -0.2359  0.1678  0.3785
+ 2793SOL    HW1 9951   2.187   6.507   6.675 -1.3499  0.9918 -0.6702
+ 2793SOL    HW2 9952   2.161   6.485   6.822  1.4155 -1.8948 -0.5648
+ 2794SOL     OW 9953   0.527   5.360   0.095  0.3996  0.1195  0.0964
+ 2794SOL    HW1 9954   0.573   5.424   0.040 -1.3003 -0.4002 -1.9903
+ 2794SOL    HW2 9955   0.548   5.275   0.056  0.7566 -0.4298  1.4554
+ 2795SOL     OW 9956   1.317   6.248   6.787  0.0605 -0.0521 -0.4317
+ 2795SOL    HW1 9957   1.227   6.278   6.776  0.1680  1.0909  1.5507
+ 2795SOL    HW2 9958   1.344   6.222   6.699 -2.3419 -0.8419 -0.9733
+ 2796SOL     OW 9959   2.615   4.372   0.528 -0.2088  0.3203  0.0225
+ 2796SOL    HW1 9960   2.637   4.330   0.611  1.0343  0.1438 -0.3837
+ 2796SOL    HW2 9961   2.545   4.433   0.549 -1.9402 -1.8311  0.6660
+ 2797SOL     OW 9962   1.492   5.666   4.202  0.4728  0.1205  0.1287
+ 2797SOL    HW1 9963   1.572   5.670   4.255  0.8990  1.4962 -0.6032
+ 2797SOL    HW2 9964   1.523   5.675   4.112 -0.4716  0.1050 -0.1964
+ 2798SOL     OW 9965   0.484   5.272   5.747  0.3723 -0.1878  0.4572
+ 2798SOL    HW1 9966   0.450   5.202   5.691  1.7045  0.4522 -1.1868
+ 2798SOL    HW2 9967   0.407   5.307   5.791 -0.4272 -2.0940  0.6364
+ 2799SOL     OW 9968   0.677   5.158   7.056  0.5391 -0.4534  0.4689
+ 2799SOL    HW1 9969   0.683   5.251   7.038  1.5768 -0.4786  0.6700
+ 2799SOL    HW2 9970   0.649   5.118   6.973 -1.2145  0.1765  0.7364
+ 2800SOL     OW 9971   7.466   5.690   7.043  0.1850 -0.6065  0.0790
+ 2800SOL    HW1 9972   7.512   5.774   7.036 -0.3081 -0.4823 -1.9256
+ 2800SOL    HW2 9973   7.375   5.714   7.060  0.4967 -0.8181  2.2035
+ 2801SOL     OW 9974   0.488   4.612   6.710 -0.0593  0.5305 -0.0800
+ 2801SOL    HW1 9975   0.422   4.559   6.755  1.0089  1.6038  2.8318
+ 2801SOL    HW2 9976   0.437   4.677   6.662 -1.2096 -0.5491 -0.3653
+ 2802SOL     OW 9977   0.485   5.537   6.966  0.5418  0.4804 -0.3848
+ 2802SOL    HW1 9978   0.496   5.628   6.938  1.6946  0.4864  0.0295
+ 2802SOL    HW2 9979   0.575   5.502   6.967  0.2723 -0.1987  0.9730
+ 2803SOL     OW 9980   1.592   5.612   4.907  0.8981  0.1064 -0.3844
+ 2803SOL    HW1 9981   1.634   5.573   4.830  0.4486 -0.4702 -0.3389
+ 2803SOL    HW2 9982   1.511   5.562   4.918  0.5686  0.7138 -0.0148
+ 2804SOL     OW 9983   7.757   4.845   6.809  0.3218 -0.4153 -0.3822
+ 2804SOL    HW1 9984   7.841   4.807   6.837  1.2298  0.6588 -1.5525
+ 2804SOL    HW2 9985   7.702   4.841   6.886  1.2657 -1.6792  0.2529
+ 2805SOL     OW 9986   1.186   4.381   6.431  0.3096  0.1268 -0.1468
+ 2805SOL    HW1 9987   1.227   4.467   6.420 -0.0375  0.1835 -1.0344
+ 2805SOL    HW2 9988   1.174   4.373   6.526 -0.6037  1.5093 -0.1325
+ 2806SOL     OW 9989   2.571   4.941   5.776  0.1086  0.0109 -0.1331
+ 2806SOL    HW1 9990   2.534   4.857   5.803 -0.3304  0.6972  1.4702
+ 2806SOL    HW2 9991   2.495   4.995   5.758  0.2738  1.2663  2.6624
+ 2807SOL     OW 9992   0.069   4.353   7.290 -0.4699  0.2898 -0.3128
+ 2807SOL    HW1 9993   0.128   4.371   7.363 -0.0401 -0.0642 -0.5739
+ 2807SOL    HW2 9994   0.070   4.258   7.281 -0.3784  0.3454 -0.9033
+ 2808SOL     OW 9995   1.146   0.180   0.079 -0.0870  0.0968  0.8642
+ 2808SOL    HW1 9996   1.181   0.264   0.108 -1.0821  0.6013  0.6051
+ 2808SOL    HW2 9997   1.212   0.147   0.018  0.3078  0.6988  0.9590
+ 2809SOL     OW 9998   1.467   5.345   6.608  0.5542 -0.5860 -0.1533
+ 2809SOL    HW1 9999   1.390   5.400   6.625  0.0606 -1.7127  1.4167
+ 2809SOL    HW210000   1.432   5.263   6.575  1.1166 -0.8711 -0.0510
+ 2810SOL     OW10001   1.975   4.169   7.356  0.0254 -0.2216  0.3920
+ 2810SOL    HW110002   2.039   4.136   7.419  0.0702  1.9707  1.5726
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+ 2811SOL     OW10004   1.291   4.369   7.198 -0.1476  0.4116 -0.1649
+ 2811SOL    HW110005   1.255   4.424   7.128  2.7692  1.1853 -1.1355
+ 2811SOL    HW210006   1.317   4.431   7.266  0.4630 -0.0252 -0.0019
+ 2812SOL     OW10007   6.539   6.237   4.633 -0.0725  0.2858 -0.0658
+ 2812SOL    HW110008   6.530   6.314   4.689  1.1956 -1.3619  2.4773
+ 2812SOL    HW210009   6.458   6.189   4.646  0.3583 -0.2599  0.6279
+ 2813SOL     OW10010   1.197   3.554   6.994  0.3261  0.4673  0.7865
+ 2813SOL    HW110011   1.112   3.590   6.970 -0.0751 -0.0699  1.3872
+ 2813SOL    HW210012   1.185   3.459   6.989  0.7470  0.3814  1.3591
+ 2814SOL     OW10013   1.384   6.374   5.392 -0.4655 -0.6862 -0.0020
+ 2814SOL    HW110014   1.471   6.407   5.417 -0.3936 -0.1746 -0.9375
+ 2814SOL    HW210015   1.325   6.448   5.407 -0.5423 -0.6248 -0.6092
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+ 2815SOL    HW110017   1.330   6.666   7.392 -1.2584  0.5224 -0.4062
+ 2815SOL    HW210018   1.345   6.577   7.271  0.2942  0.4233 -0.1527
+ 2816SOL     OW10019   2.216   3.363   6.347  1.0374 -0.0909 -0.0162
+ 2816SOL    HW110020   2.238   3.272   6.323 -2.6280 -1.0385 -0.0992
+ 2816SOL    HW210021   2.258   3.416   6.280 -1.0225 -2.1185 -3.0447
+ 2817SOL     OW10022   7.155   6.707   5.996 -0.2359 -0.1136 -0.4404
+ 2817SOL    HW110023   7.086   6.677   5.937  0.3361 -1.3883 -0.4804
+ 2817SOL    HW210024   7.210   6.629   6.010  0.0522  0.3701  1.1806
+ 2818SOL     OW10025   1.754   5.692   7.279 -0.4111 -0.0885  0.3890
+ 2818SOL    HW110026   1.842   5.717   7.309 -0.4292  0.1042  0.2839
+ 2818SOL    HW210027   1.765   5.674   7.186  0.1598 -3.1671  1.0090
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+ 2819SOL    HW210030   7.483   4.533   5.334  0.3929 -0.6408  2.0277
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+ 2820SOL    HW110032   1.535   4.585   0.813 -0.8613  0.7001  0.2247
+ 2820SOL    HW210033   1.516   4.662   0.685  1.2224 -0.5116 -0.8559
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+ 2821SOL    HW110035   2.015   3.890   6.183 -0.1944  1.5773  0.5708
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+12288SOL     OW38435   6.249   3.276   0.162 -0.3392  0.2297  0.4640
+12288SOL    HW138436   6.216   3.298   0.249  1.5808  0.6599  1.1039
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+12289SOL     OW38438   0.368   2.357   7.076  0.2550 -0.5292  0.0016
+12289SOL    HW138439   0.350   2.430   7.135  0.0184 -1.5130  1.1677
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+12290SOL     OW38441   6.516   2.768   7.556 -0.2067 -0.1909  1.1818
+12290SOL    HW138442   6.429   2.793   7.525  0.1054 -0.7306 -0.1409
+12290SOL    HW238443   6.561   2.852   7.569  0.3596  0.0497 -1.8854
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+12291SOL    HW138445   0.430   3.792   1.864  0.4132 -0.1624  0.0106
+12291SOL    HW238446   0.515   3.681   1.923 -0.3134 -1.6330 -1.6662
+12292SOL     OW38447   0.533   3.035   7.977  0.2719  0.0953  0.1134
+12292SOL    HW138448   0.484   3.071   7.904 -0.0124 -1.6246 -0.5624
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+12293SOL     OW38450   6.139   3.245   6.876  0.2128 -0.5727 -0.4480
+12293SOL    HW138451   6.169   3.280   6.960 -2.0407 -2.0208  1.0094
+12293SOL    HW238452   6.175   3.156   6.873 -0.9950 -1.0760 -0.2776
+12294SOL     OW38453   6.857   3.945   7.454 -0.5608 -0.1952 -0.1279
+12294SOL    HW138454   6.765   3.962   7.436 -0.1463  1.4432 -0.8047
+12294SOL    HW238455   6.901   3.960   7.370  0.4539  0.0868  0.4433
+12295SOL     OW38456   5.023   1.700   6.875  0.4073  0.1852 -0.5086
+12295SOL    HW138457   4.992   1.786   6.903  1.0028  0.5959 -1.0987
+12295SOL    HW238458   5.118   1.711   6.868  0.6519 -0.9276  0.8709
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+12296SOL    HW138460   5.193   3.536   7.198 -2.5052  0.2015 -1.0594
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+12300SOL    HW138472   6.936   3.758   1.666  1.5861  0.6775 -0.1083
+12300SOL    HW238473   6.989   3.617   1.678  1.2443  0.5209 -0.4130
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+12301SOL    HW138475   6.778   2.765   1.972 -1.8741  0.1017  1.3196
+12301SOL    HW238476   6.723   2.756   1.831  0.2060  1.3106  0.4061
+12302SOL     OW38477   7.726   2.345   2.430  0.8359  0.5180  0.1759
+12302SOL    HW138478   7.644   2.391   2.447 -0.3764 -1.0870 -1.1081
+12302SOL    HW238479   7.777   2.356   2.511 -1.5315 -0.2741  1.8364
+12303SOL     OW38480   6.198   2.523   1.758 -0.4268  0.0416  0.1006
+12303SOL    HW138481   6.117   2.500   1.804 -0.8163 -0.5897 -0.8945
+12303SOL    HW238482   6.243   2.583   1.818 -1.3747 -0.0225  0.8915
+12304SOL     OW38483   5.818   3.329   1.335  0.2904 -0.3945 -0.8156
+12304SOL    HW138484   5.738   3.377   1.358  0.9119  0.0929  0.4087
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+12305SOL    HW138487   6.688   2.322   1.077  1.3520 -0.1101 -0.8606
+12305SOL    HW238488   6.672   2.314   0.927 -2.3279 -0.4801 -0.4851
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+12307SOL    HW138493   5.763   3.047   1.228  0.2295  1.1473 -0.2483
+12307SOL    HW238494   5.792   2.935   1.325 -0.0146 -0.2034 -1.7159
+12308SOL     OW38495   7.458   1.293   7.362  0.5157 -0.2903  0.2045
+12308SOL    HW138496   7.538   1.240   7.357 -0.2583 -1.4651  0.2703
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+12791SOL    HW239946   6.028   2.574   5.061  0.2202  0.6138  1.6853
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+13432SOL    HW141868   6.407   3.454   2.204 -1.0032  0.2377 -1.1310
+13432SOL    HW241869   6.397   3.361   2.085  0.5385  0.8795 -1.7567
+13433SOL     OW41870   6.519   4.954   3.926 -0.2322 -0.3758  0.1240
+13433SOL    HW141871   6.578   4.905   3.984 -0.1403 -0.3480  0.0537
+13433SOL    HW241872   6.465   5.006   3.986  0.8468  0.7600  0.1303
+13434SOL     OW41873   7.233   6.011   0.820  0.1804  0.0993 -0.1178
+13434SOL    HW141874   7.169   5.941   0.810 -0.0528  0.3546 -0.4159
+13434SOL    HW241875   7.181   6.088   0.841  0.2918  0.5518 -1.4769
+13435SOL     OW41876   6.496   5.359   2.002  0.5928 -0.1502 -0.4338
+13435SOL    HW141877   6.484   5.334   1.911  0.4359  1.3346 -0.8216
+13435SOL    HW241878   6.409   5.381   2.034  0.4763 -1.7651  0.4115
+13436SOL     OW41879   5.609   3.611   3.742  0.0268  0.1394  0.1018
+13436SOL    HW141880   5.517   3.633   3.755 -0.2412 -1.4451  0.9595
+13436SOL    HW241881   5.646   3.609   3.830  0.8473  0.6267 -0.2312
+13437SOL     OW41882   7.179   4.624   2.180 -0.0253  0.4537 -0.1603
+13437SOL    HW141883   7.155   4.597   2.268  1.5142  4.3428  1.5761
+13437SOL    HW241884   7.108   4.683   2.153  0.7607  1.2964 -0.4380
+13438SOL     OW41885   4.371   4.876   2.637  0.1338  0.3105  0.0428
+13438SOL    HW141886   4.423   4.833   2.706  0.5936  0.0119 -0.4785
+13438SOL    HW241887   4.355   4.806   2.574 -2.3627 -0.0202  1.0074
+13439SOL     OW41888   6.200   3.309   4.231 -0.7295  0.1698  0.1675
+13439SOL    HW141889   6.234   3.331   4.318 -1.3299 -1.9948  0.9825
+13439SOL    HW241890   6.194   3.393   4.186  1.5039  1.1093  1.5094
+13440SOL     OW41891   7.801   4.932   2.874  0.0000 -0.1045  0.3536
+13440SOL    HW141892   7.805   4.843   2.911 -1.5880 -1.5627 -2.7303
+13440SOL    HW241893   7.708   4.955   2.878  0.3707  1.3340  0.8870
+13441SOL     OW41894   4.611   3.310   1.518  0.2315 -0.2971  0.4885
+13441SOL    HW141895   4.659   3.240   1.474  0.6592  1.2464 -1.6074
+13441SOL    HW241896   4.608   3.381   1.453 -1.8061  0.9328  1.8773
+13442SOL     OW41897   7.590   4.017   0.906  0.8297  0.1925  0.2339
+13442SOL    HW141898   7.671   3.999   0.858 -0.1168 -1.9097 -0.6372
+13442SOL    HW241899   7.544   3.933   0.909 -1.1680  1.2622  1.0364
+13443SOL     OW41900   6.094   5.542   4.352 -0.0547  0.2161  0.0854
+13443SOL    HW141901   6.170   5.589   4.385  0.1655 -2.0414  2.9180
+13443SOL    HW241902   6.019   5.582   4.397 -0.3877  1.0407 -1.1509
+13444SOL     OW41903   7.470   4.461   2.302  0.1868  0.6068 -0.4663
+13444SOL    HW141904   7.387   4.420   2.276  0.6040  0.4030 -1.5165
+13444SOL    HW241905   7.450   4.554   2.306 -0.5524  0.4014  1.0932
+13445SOL     OW41906   5.851   5.527   3.442 -0.6504 -0.5994 -0.0484
+13445SOL    HW141907   5.884   5.471   3.511  0.3137 -0.0667 -0.0664
+13445SOL    HW241908   5.820   5.606   3.487  0.2543 -0.1263 -0.2439
+13446SOL     OW41909   6.463   4.960   2.365 -0.9426  0.3488 -0.2832
+13446SOL    HW141910   6.475   4.930   2.275  0.5747 -0.8052  0.2804
+13446SOL    HW241911   6.505   5.046   2.368  2.7677 -1.4011  0.3342
+13447SOL     OW41912   5.293   7.371   2.875 -0.0976 -0.4444 -0.2154
+13447SOL    HW141913   5.256   7.393   2.960  2.5711  0.6419  0.7427
+13447SOL    HW241914   5.279   7.449   2.822  0.0252 -0.3498 -0.1110
+13448SOL     OW41915   7.876   4.569   4.162  0.4245 -0.2600  0.4823
+13448SOL    HW141916   7.944   4.534   4.105  1.0507 -0.5199  1.3814
+13448SOL    HW241917   7.923   4.608   4.235 -0.3663  0.1386  0.7925
+13449SOL     OW41918   7.224   3.494   3.185 -0.3413 -0.3853 -0.0969
+13449SOL    HW141919   7.216   3.402   3.162 -0.6194 -0.4284  0.1716
+13449SOL    HW241920   7.315   3.516   3.165 -0.2382 -0.7525 -0.0267
+13450SOL     OW41921   7.540   5.144   1.199  0.3344 -0.2434 -0.1106
+13450SOL    HW141922   7.593   5.069   1.229  0.4770 -0.0452  0.1315
+13450SOL    HW241923   7.478   5.159   1.270  0.3949 -0.0463 -0.0988
+13451SOL     OW41924   7.800   5.481   1.801  0.8004 -0.2000 -0.2781
+13451SOL    HW141925   7.896   5.473   1.805  0.7483 -0.9607 -0.3918
+13451SOL    HW241926   7.771   5.396   1.768  0.0475 -0.1722  0.3099
+13452SOL     OW41927   5.971   7.572   2.913 -0.2923 -0.3471 -0.0361
+13452SOL    HW141928   6.020   7.608   2.987 -0.3372 -0.3912  0.0145
+13452SOL    HW241929   5.888   7.544   2.950  0.2565 -1.7457  0.1762
+13453SOL     OW41930   3.992   7.215   2.531 -0.3260 -0.3500 -0.0921
+13453SOL    HW141931   4.059   7.279   2.509  1.2280 -2.4003 -1.5054
+13453SOL    HW241932   3.909   7.261   2.516  0.7502  1.3258 -1.0483
+13454SOL     OW41933   5.513   3.746   2.417  0.0440  0.0278 -0.3523
+13454SOL    HW141934   5.446   3.814   2.424 -0.0499  0.0244 -1.2649
+13454SOL    HW241935   5.596   3.793   2.425 -0.0310  0.1975 -0.5789
+13455SOL     OW41936   6.805   7.002   2.609 -0.0085  0.2124  0.2270
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+13456SOL     OW41939   6.250   4.796   2.441 -0.0211 -0.6883  0.7212
+13456SOL    HW141940   6.338   4.808   2.407  0.2332  0.2062  1.6748
+13456SOL    HW241941   6.225   4.707   2.413  0.4747 -0.2860 -1.0773
+13457SOL     OW41942   0.115   3.647   1.306  0.4733  0.3910  0.5620
+13457SOL    HW141943   0.093   3.558   1.332  1.5520  0.2085  0.8650
+13457SOL    HW241944   0.030   3.689   1.290 -0.0853 -0.2770  1.7448
+13458SOL     OW41945   4.948   7.117   3.022  0.2444 -0.0353  0.6548
+13458SOL    HW141946   4.907   7.036   3.053 -0.0341 -0.1591 -0.0238
+13458SOL    HW241947   4.919   7.184   3.084  0.4472 -0.4481  1.1961
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+13459SOL    HW141949   4.736   6.414   3.075  1.1072 -0.6362 -1.0365
+13459SOL    HW241950   4.737   6.495   2.947 -0.2903  1.3994  0.2053
+13460SOL     OW41951   7.163   5.977   2.944 -0.4415  0.2097  0.3192
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+13461SOL     OW41954   1.241   4.370   3.004  0.2637 -0.1549 -0.5330
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+13462SOL     OW41957   5.246   3.300   2.677  0.4678 -0.1253  0.0542
+13462SOL    HW141958   5.294   3.234   2.726 -0.7726 -1.7551 -0.8475
+13462SOL    HW241959   5.285   3.383   2.702  2.2475 -1.2332  1.0113
+13463SOL     OW41960   6.910   5.298   7.436 -0.2313 -0.1718 -0.0335
+13463SOL    HW141961   6.888   5.390   7.448  2.6503  0.5386  0.2138
+13463SOL    HW241962   6.913   5.285   7.342  0.5211  0.2939 -0.0728
+13464SOL     OW41963   6.226   5.433   2.893 -0.3316 -0.4206  0.1117
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+13465SOL     OW41966   7.744   4.362   3.601  0.1308  0.3356  0.3064
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+13466SOL    HW141970   0.362   5.538   1.002 -0.6089 -1.5884  1.0044
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+13467SOL     OW41972   5.490   5.562   3.121  0.4714 -0.0775 -0.3042
+13467SOL    HW141973   5.572   5.518   3.143  0.7948 -0.0361 -1.3649
+13467SOL    HW241974   5.506   5.654   3.145 -0.3394 -0.5702  2.2564
+13468SOL     OW41975   6.440   4.369   4.957 -0.3724 -0.0508  0.4757
+13468SOL    HW141976   6.503   4.302   4.984 -0.8307 -0.9828 -0.7420
+13468SOL    HW241977   6.358   4.344   4.999 -0.3928  0.1045  0.5294
+13469SOL     OW41978   6.162   3.887   3.655 -0.5573 -0.1006 -0.3832
+13469SOL    HW141979   6.114   3.814   3.693 -1.8528  1.1434  0.4329
+13469SOL    HW241980   6.097   3.956   3.646  0.4044  0.6017 -2.1533
+13470SOL     OW41981   4.667   3.567   2.369 -0.1291 -0.0953 -0.3585
+13470SOL    HW141982   4.689   3.652   2.332 -2.0645  1.4789  1.9253
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+13471SOL     OW41984   5.403   6.769   2.121 -0.1437 -0.2347  0.2014
+13471SOL    HW141985   5.334   6.775   2.187  0.5799 -2.4813  1.2217
+13471SOL    HW241986   5.484   6.786   2.170  0.2075  0.3321 -0.5668
+13472SOL     OW41987   0.145   4.829   1.149 -0.3785 -0.4084  0.0655
+13472SOL    HW141988   0.053   4.816   1.128 -0.2088  0.9557 -1.5936
+13472SOL    HW241989   0.192   4.769   1.093 -0.2396 -1.0529  0.8610
+13473SOL     OW41990   6.683   6.113   1.584  0.0088 -0.0040  0.1752
+13473SOL    HW141991   6.709   6.022   1.601  0.0665 -0.1642 -0.7097
+13473SOL    HW241992   6.589   6.115   1.602 -0.0550 -0.3203 -0.1060
+13474SOL     OW41993   7.351   5.935   1.274  0.0741  0.0416 -0.0355
+13474SOL    HW141994   7.442   5.954   1.297  0.4297  0.6920 -1.8655
+13474SOL    HW241995   7.312   6.022   1.260 -0.2816 -0.2925 -1.1905
+13475SOL     OW41996   5.648   3.960   3.272 -0.0747 -0.2332  0.2709
+13475SOL    HW141997   5.553   3.946   3.265 -0.3492  1.6058 -0.0232
+13475SOL    HW241998   5.679   3.957   3.181  0.0336 -0.1662  0.3061
+13476SOL     OW41999   6.093   3.967   2.512 -0.1523 -0.0429 -0.1294
+13476SOL    HW142000   6.164   3.960   2.448  0.0128 -1.4011  0.1988
+13476SOL    HW242001   6.031   4.029   2.472  0.4766 -0.0265 -1.0974
+13477SOL     OW42002   7.169   4.169   1.705 -0.0177 -0.0995 -0.2001
+13477SOL    HW142003   7.170   4.214   1.621  1.1482 -0.5695 -0.4404
+13477SOL    HW242004   7.183   4.077   1.683  0.2573 -0.2272  0.4968
+13478SOL     OW42005   6.541   5.272   1.488  0.2842 -0.4472  0.0045
+13478SOL    HW142006   6.553   5.178   1.501  2.9176  0.0409  1.5455
+13478SOL    HW242007   6.584   5.290   1.404 -2.5117 -0.9937 -1.5984
+13479SOL     OW42008   6.943   3.741   1.344  0.0748  0.1041 -0.4907
+13479SOL    HW142009   6.896   3.669   1.304 -0.8480  0.1385  0.5105
+13479SOL    HW242010   6.948   3.718   1.437  0.3388  1.0153 -0.2679
+13480SOL     OW42011   6.193   4.002   2.241  0.4027  0.0821 -0.1795
+13480SOL    HW142012   6.188   4.087   2.198  2.5948  1.4818  2.2053
+13480SOL    HW242013   6.250   3.950   2.184  1.4317  1.1690 -0.1620
+13481SOL     OW42014   0.248   6.522   1.309 -0.7102  0.1538 -0.1583
+13481SOL    HW142015   0.342   6.508   1.298 -1.3411 -3.8053 -1.5449
+13481SOL    HW242016   0.231   6.504   1.401 -0.1457  0.6775  0.0485
+13482SOL     OW42017   6.635   3.387   3.889  0.3836 -0.2625  0.0470
+13482SOL    HW142018   6.554   3.427   3.856  0.5889 -0.1642 -0.3340
+13482SOL    HW242019   6.702   3.415   3.827  0.5862 -0.9364 -0.0353
+13483SOL     OW42020   7.636   5.709   5.375 -0.5319  0.5867  0.2911
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+16153SOL    HW150031   7.295   4.773   2.887  1.1070 -1.9814 -0.8585
+16153SOL    HW250032   7.200   4.692   2.973  0.5648 -0.8590 -0.3977
+16154SOL     OW50033   6.241   7.065   5.007 -0.1048  0.1627 -0.1056
+16154SOL    HW150034   6.281   7.038   5.090  2.8278  0.7216 -1.2689
+16154SOL    HW250035   6.183   7.138   5.030 -0.3040 -0.5229  1.6100
+16155SOL     OW50036   0.247   5.913   4.692  0.1452  0.5031  0.2114
+16155SOL    HW150037   0.279   5.973   4.625  1.2406 -0.9122 -0.5693
+16155SOL    HW250038   0.323   5.897   4.748  0.6187 -2.1933 -1.1288
+16156SOL     OW50039   7.231   7.812   6.613  0.2420  0.0720 -0.3885
+16156SOL    HW150040   7.279   7.752   6.556 -2.3337 -1.8816 -0.6204
+16156SOL    HW250041   7.211   7.759   6.690  0.2868  1.4981  0.6146
+16157SOL     OW50042   7.332   5.770   6.495  0.4327  0.1293  0.0708
+16157SOL    HW150043   7.284   5.719   6.429 -0.7011  0.0054  0.9685
+16157SOL    HW250044   7.264   5.798   6.558  1.5402 -0.1402  1.4163
+16158SOL     OW50045   7.259   6.914   4.411 -0.1068 -0.6516 -0.6731
+16158SOL    HW150046   7.235   7.006   4.423  0.6020 -0.7050  1.5355
+16158SOL    HW250047   7.176   6.867   4.410 -0.3730 -0.3903  2.5342
+16159SOL     OW50048   1.047   7.308   6.566 -0.4584 -0.0584 -0.2518
+16159SOL    HW150049   1.080   7.398   6.564 -2.0608  0.5109 -2.8568
+16159SOL    HW250050   1.052   7.283   6.659 -0.5513  2.9231  0.6098
+16160SOL     OW50051   7.591   0.282   4.006  0.1121  0.1889 -0.0534
+16160SOL    HW150052   7.547   0.331   4.075  1.9130  0.5157  0.9037
+16160SOL    HW250053   7.591   0.341   3.931 -0.4076  0.4751  0.1696
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+16161SOL    HW150055   0.304   6.653   4.222  0.1395 -0.0353  0.4147
+16161SOL    HW250056   0.438   6.689   4.283  0.5633 -0.8962 -0.0134
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+16162SOL    HW250059   7.828   5.660   4.533  0.9009  2.0343  2.0280
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+16163SOL    HW150061   0.219   7.063   6.472  0.1748 -0.9571  0.1639
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+16164SOL     OW50063   5.832   0.534   6.165 -0.1623 -0.4684  0.0105
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+16165SOL    HW150067   0.317   5.477   4.268 -2.8763  0.9736 -2.4059
+16165SOL    HW250068   0.324   5.326   4.256 -4.0768  0.7319 -0.4074
+16166SOL     OW50069   7.385   7.833   5.975  0.1130 -0.0597  0.0596
+16166SOL    HW150070   7.474   7.799   5.970  0.7477  1.0394  2.7312
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+16167SOL     OW50072   7.671   5.838   3.565  0.5046  0.0542 -0.1451
+16167SOL    HW150073   7.585   5.858   3.529  0.2031  2.3251  1.7239
+16167SOL    HW250074   7.673   5.742   3.570 -0.9437 -0.1449 -2.4358
+16168SOL     OW50075   0.401   7.169   3.853  0.0357  0.5572 -0.0818
+16168SOL    HW150076   0.451   7.095   3.887 -1.8197  0.0779  1.7023
+16168SOL    HW250077   0.339   7.130   3.792 -0.2647  0.7490  0.0991
+16169SOL     OW50078   7.165   6.733   3.819  0.0499  0.4901  0.3105
+16169SOL    HW150079   7.155   6.792   3.893  1.9338 -1.8474  2.5492
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+16170SOL    HW150082   7.510   6.720   5.808 -0.8803  1.3223 -1.0117
+16170SOL    HW250083   7.453   6.587   5.850  0.6800  1.5429  1.9411
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+16171SOL    HW150085  -0.004   7.335   6.141 -0.2213  1.0293 -1.4328
+16171SOL    HW250086   0.006   7.484   6.121  0.9054  1.3543  1.2756
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+16172SOL    HW150088   7.322   5.750   1.865 -2.5730 -0.0800 -1.5151
+16172SOL    HW250089   7.386   5.734   1.729  0.9118  0.0434  0.0418
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+16367SOL    HW250674   7.692   7.100   1.377 -2.5346  1.6985 -0.3627
+16368SOL     OW50675   7.431   1.521   7.233 -0.1588  0.1922  0.2796
+16368SOL    HW150676   7.436   1.435   7.276 -0.2837  1.2110  2.4357
+16368SOL    HW250677   7.373   1.507   7.158 -3.3600 -0.8236  2.7846
+16369SOL     OW50678   7.230   1.522   7.813 -0.3342  0.1183  0.1607
+16369SOL    HW150679   7.150   1.572   7.831 -0.6172 -0.5768  0.8798
+16369SOL    HW250680   7.232   1.456   7.882  2.3650  1.9154  1.9197
+16370SOL     OW50681   7.467   6.366   6.939  0.4789 -0.2848  0.5306
+16370SOL    HW150682   7.508   6.368   6.853 -0.0623 -0.7920  0.2572
+16370SOL    HW250683   7.518   6.303   6.990  0.4773 -0.3699  0.4244
+16371SOL     OW50684   7.813   7.646   0.535 -0.3321  0.3734  0.3299
+16371SOL    HW150685   7.816   7.729   0.583  0.2464  1.1942 -1.0989
+16371SOL    HW250686   7.903   7.614   0.537 -0.4884 -0.0510  0.5788
+16372NA      NA50687   1.563   1.459   2.738 -0.2582  0.7049 -0.4985
+16373NA      NA50688   0.667   0.615   2.602 -0.3257 -0.0345 -0.1215
+16374NA      NA50689   0.642   1.772   6.751  0.3808  0.6573 -0.1903
+16375NA      NA50690   1.087   1.748   1.055  0.5019  0.3294 -0.0010
+16376NA      NA50691   0.610   1.062   2.199  0.0263 -0.0370  0.1835
+16377NA      NA50692   0.156   2.980   3.506  0.2406 -0.0193  1.0620
+16378NA      NA50693   2.124   3.358   3.621  0.1235  0.4529 -0.0834
+16379NA      NA50694   1.544   4.381   0.565  0.1519 -0.3038  0.3945
+16380NA      NA50695   0.342   5.393   4.834 -0.0017  0.2927  0.5546
+16381NA      NA50696   1.405   3.957   6.406  0.2615 -0.2819 -0.2392
+16382NA      NA50697   2.823   7.334   0.814  0.0749  0.0325  0.2877
+16383NA      NA50698   1.663   7.878   2.543 -0.3255 -0.4007  0.6362
+16384NA      NA50699   2.443   1.331   7.379  0.7759 -0.0794 -0.6395
+16385NA      NA50700   1.982   2.203   6.853  0.1825  0.1049  0.0861
+16386NA      NA50701   1.728   3.702   0.031  0.5306 -0.5097 -0.0505
+16387NA      NA50702   2.192   5.856   0.082 -0.2897  0.1663  0.2355
+16388NA      NA50703   1.470   5.553   5.217  0.1532  0.1285  0.9598
+16389NA      NA50704   3.127   4.473   7.143 -0.0355  0.0597  0.3617
+16390NA      NA50705   0.772   7.163   4.356  0.0445  0.1192  0.0054
+16391NA      NA50706   2.100   0.056   5.243 -0.5132  0.0735 -0.1579
+16392NA      NA50707   3.451   1.363   1.927  0.3580 -0.0737  0.4369
+16393NA      NA50708   4.486   0.651   2.616 -0.0216  0.2246  0.2960
+16394NA      NA50709   3.864   1.884   0.728  0.3601  0.5007 -0.0901
+16395NA      NA50710   3.432   0.464   4.078  0.2537 -0.0989 -0.2048
+16396NA      NA50711   4.147   3.207   7.343  0.3830  0.0229  0.5211
+16397NA      NA50712   5.007   5.822   2.349 -0.5825  0.1543 -0.2511
+16398NA      NA50713   6.207   5.767   7.959  0.4701 -0.0764  0.0652
+16399NA      NA50714   4.827   5.513   6.644  0.6049 -0.2284 -0.1446
+16400NA      NA50715   5.933   7.612   7.265 -0.0380  0.1232  0.0659
+16401NA      NA50716   4.907   7.382   6.903 -0.2813 -0.3597  0.5571
+16402NA      NA50717   5.140   0.640   1.336 -0.3719 -0.1674  0.0725
+16403NA      NA50718   7.823   0.821   0.168 -0.1943 -0.1899 -0.0170
+16404NA      NA50719   6.125   2.559   2.968 -0.2191 -0.3818  0.1276
+16405NA      NA50720   5.992   2.107   4.134 -0.0329 -0.4031 -0.1888
+16406NA      NA50721   6.865   3.850   7.671  0.0635  0.1289 -0.5128
+16407NA      NA50722   5.803   4.153   1.644  0.9379 -0.6419 -0.2759
+16408NA      NA50723   6.274   3.338   1.339  0.1805 -0.0596 -0.2766
+16409NA      NA50724   7.683   4.111   1.119 -0.0932  0.2062 -0.0020
+16410NA      NA50725   6.888   5.556   6.150  0.4425  0.1810  0.2293
+16411NA      NA50726   6.365   6.995   0.120  0.3566 -0.0929  0.3159
+16412NA      NA50727   6.341   7.837   1.686 -0.6245 -0.3049 -0.4707
+16413NA      NA50728   5.666   7.124   3.797 -0.5426  0.1037 -0.7507
+16414NA      NA50729   7.332   7.617   3.406 -0.6790 -0.1334 -0.0421
+16415NA      NA50730   6.380   1.372   2.986  0.0057  0.1216 -0.1618
+16416NA      NA50731   7.928   3.657   7.250  0.1079  0.3300  0.0982
+16417NA      NA50732   0.098   6.372   7.568 -0.3034 -0.2683  0.5269
+16418CL      CL50733   0.221   7.652   0.953 -0.0325  0.2660  0.2440
+16419CL      CL50734   1.035   2.704   3.601  0.1537  0.0081 -0.4316
+16420CL      CL50735   0.283   0.836   7.953  0.1081  0.2122 -0.0195
+16421CL      CL50736   7.064   1.366   3.135 -0.2772  0.1918  0.4232
+16422CL      CL50737   0.655   1.371   0.461  0.3055  0.4528  0.2740
+16423CL      CL50738   1.340   3.277   3.535  0.3965 -0.0210 -0.0478
+16424CL      CL50739   1.868   5.023   1.979  0.1159  0.3384 -0.0593
+16425CL      CL50740   7.186   3.718   5.870  0.4005  0.1806  0.2349
+16426CL      CL50741   1.592   5.636   5.441  0.2691 -0.2347  0.0753
+16427CL      CL50742   0.700   5.722   7.643 -0.2380  0.3359 -0.0155
+16428CL      CL50743   1.508   4.882   7.801 -0.2798  0.1050 -0.3961
+16429CL      CL50744   1.222   7.381   0.843 -0.2044  0.1856  0.4066
+16430CL      CL50745   7.534   0.293   0.187  0.0967  0.1829  0.2029
+16431CL      CL50746   3.124   1.084   4.193  0.3768 -0.5121  0.4208
+16432CL      CL50747   5.045   0.482   6.064  0.4607 -0.1032  0.1817
+16433CL      CL50748   1.495   0.775   4.928  0.0125 -0.4523 -0.1621
+16434CL      CL50749   4.068   0.663   7.957 -0.2489 -0.0196 -0.0820
+16435CL      CL50750   2.345   1.994   2.559  0.1492 -0.1726 -0.2875
+16436CL      CL50751   3.169   2.933   2.053 -0.5895  0.0500 -0.0401
+16437CL      CL50752   1.722   4.558   0.496 -0.1923  0.1463 -0.0153
+16438CL      CL50753   2.017   5.221   3.279  0.0388 -0.6781 -0.2167
+16439CL      CL50754   4.702   5.065   6.452 -0.3262 -0.0044 -0.1433
+16440CL      CL50755   2.077   6.637   2.510 -0.8245 -0.2242 -0.0505
+16441CL      CL50756   1.201   7.733   6.846 -0.4189 -0.1835  0.1248
+16442CL      CL50757   3.280   7.502   0.618  0.3574  0.2278  0.2653
+16443CL      CL50758   4.527   0.829   1.606  0.0035 -0.2272 -0.0640
+16444CL      CL50759   5.517   0.032   1.206 -0.0465 -0.0567  0.1187
+16445CL      CL50760   2.432   1.368   2.827 -0.3646 -0.0994 -0.1888
+16446CL      CL50761   2.971   3.268   6.875  0.4760 -0.1540  0.1177
+16447CL      CL50762   5.573   2.765   3.145  0.4417 -0.2589  0.0021
+16448CL      CL50763   4.685   1.921   5.977 -0.3497  0.2584  0.0456
+16449CL      CL50764   5.985   3.990   1.585 -0.4216 -0.1084 -0.1109
+16450CL      CL50765   6.670   5.082   0.964 -0.0257  0.2869 -0.2480
+16451CL      CL50766   6.226   4.852   5.907 -0.1493 -0.3660  0.0986
+16452CL      CL50767   6.360   6.325   2.624  0.1839  0.4210 -0.0626
+16453CL      CL50768   3.236   6.453   5.667 -0.5573 -0.0400  0.0101
+16454CL      CL50769   6.864   1.838   0.602  0.0015  0.0317 -0.0555
+16455CL      CL50770   7.346   2.469   3.951  0.0365  0.1923 -0.0443
+16456CL      CL50771   6.733   0.090   6.623  0.4606 -0.1434 -0.4182
+16457CL      CL50772   7.768   3.087   1.108  0.2098  0.9196  0.4573
+16458CL      CL50773   6.395   3.105   3.785 -0.0489 -0.1150 -0.0128
+16459CL      CL50774   6.383   2.476   2.491  0.1076  0.0378  0.0565
+16460CL      CL50775   5.502   2.663   4.236 -0.2126 -0.2427  0.3519
+16461CL      CL50776   0.605   3.312   7.310 -0.0981 -0.0835 -0.0385
+16462CL      CL50777   6.416   5.417   6.036  0.2699 -0.3571  0.2148
+16463CL      CL50778   7.410   5.966   3.400 -0.0440 -0.2797  0.1327
+16464CL      CL50779   7.229   5.706   4.406  0.2675  0.0107  0.0016
+16465CL      CL50780   6.491   4.085   7.448 -0.0519 -0.1964 -0.0601
+16466CL      CL50781   6.420   6.804   7.657 -0.0989  0.1539  0.1899
+16467CL      CL50782   6.017   7.463   4.497  0.0716  0.2405  0.1529
+16468CL      CL50783   0.531   2.062   1.877 -0.4494 -0.0130  0.2812
+16469CL      CL50784   0.633   1.759   7.225 -0.3776 -0.0585 -0.1578
+16470CL      CL50785   7.843   5.396   0.850 -0.2022  0.2258 -0.0229
+16471CL      CL50786   7.951   5.283   5.073  0.3681  0.1177  0.0926
+   7.99023   7.99023   7.99023
diff --git a/gromacs-demos/msd/topol.top b/gromacs-demos/msd/topol.top
new file mode 100644
index 0000000..eee1295
--- /dev/null
+++ b/gromacs-demos/msd/topol.top
@@ -0,0 +1,18679 @@
+;
+;	File 'topol.top' was generated
+;	By user: matthiasheyden (502)
+;	On host: sms18he27imac37.dhcp.asu.edu
+;	At date: Thu Oct 17 11:15:47 2024
+;
+;	This is a standalone topology file
+;
+;	Created by:
+;	                   :-) GROMACS - gmx pdb2gmx, 2025-dev (-:
+;	
+;	Executable:   /usr/local/gromacs-imd-v3/bin/gmx
+;	Data prefix:  /usr/local/gromacs-imd-v3
+;	Working dir:  /Users/matthiasheyden/ASU Dropbox/Matthias Heyden/ASU-research/MDAnalysis/streaming-demos/00-prep
+;	Command line:
+;	  gmx pdb2gmx -f ../1hel.pdb -p -o
+;	Force field was read from the standard GROMACS share directory.
+;
+
+; Include forcefield parameters
+#include "amber99sb-ildn.ff/forcefield.itp"
+
+[ moleculetype ]
+; Name            nrexcl
+Protein_chain_A     3
+
+[ atoms ]
+;   nr       type  resnr residue  atom   cgnr     charge       mass  typeB    chargeB      massB
+; residue   1 LYS rtp NLYS q +2.0
+     1         N3      1    LYS      N      1     0.0966      14.01
+     2          H      1    LYS     H1      2     0.2165      1.008
+     3          H      1    LYS     H2      3     0.2165      1.008
+     4          H      1    LYS     H3      4     0.2165      1.008
+     5         CT      1    LYS     CA      5    -0.0015      12.01
+     6         HP      1    LYS     HA      6      0.118      1.008
+     7         CT      1    LYS     CB      7     0.0212      12.01
+     8         HC      1    LYS    HB1      8     0.0283      1.008
+     9         HC      1    LYS    HB2      9     0.0283      1.008
+    10         CT      1    LYS     CG     10    -0.0048      12.01
+    11         HC      1    LYS    HG1     11     0.0121      1.008
+    12         HC      1    LYS    HG2     12     0.0121      1.008
+    13         CT      1    LYS     CD     13    -0.0608      12.01
+    14         HC      1    LYS    HD1     14     0.0633      1.008
+    15         HC      1    LYS    HD2     15     0.0633      1.008
+    16         CT      1    LYS     CE     16    -0.0181      12.01
+    17         HP      1    LYS    HE1     17     0.1171      1.008
+    18         HP      1    LYS    HE2     18     0.1171      1.008
+    19         N3      1    LYS     NZ     19    -0.3764      14.01
+    20          H      1    LYS    HZ1     20     0.3382      1.008
+    21          H      1    LYS    HZ2     21     0.3382      1.008
+    22          H      1    LYS    HZ3     22     0.3382      1.008
+    23          C      1    LYS      C     23     0.7214      12.01
+    24          O      1    LYS      O     24    -0.6013         16   ; qtot 2
+; residue   2 VAL rtp VAL  q  0.0
+    25          N      2    VAL      N     25    -0.4157      14.01
+    26          H      2    VAL      H     26     0.2719      1.008
+    27         CT      2    VAL     CA     27    -0.0875      12.01
+    28         H1      2    VAL     HA     28     0.0969      1.008
+    29         CT      2    VAL     CB     29     0.2985      12.01
+    30         HC      2    VAL     HB     30    -0.0297      1.008
+    31         CT      2    VAL    CG1     31    -0.3192      12.01
+    32         HC      2    VAL   HG11     32     0.0791      1.008
+    33         HC      2    VAL   HG12     33     0.0791      1.008
+    34         HC      2    VAL   HG13     34     0.0791      1.008
+    35         CT      2    VAL    CG2     35    -0.3192      12.01
+    36         HC      2    VAL   HG21     36     0.0791      1.008
+    37         HC      2    VAL   HG22     37     0.0791      1.008
+    38         HC      2    VAL   HG23     38     0.0791      1.008
+    39          C      2    VAL      C     39     0.5973      12.01
+    40          O      2    VAL      O     40    -0.5679         16   ; qtot 2
+; residue   3 PHE rtp PHE  q  0.0
+    41          N      3    PHE      N     41    -0.4157      14.01
+    42          H      3    PHE      H     42     0.2719      1.008
+    43         CT      3    PHE     CA     43    -0.0024      12.01
+    44         H1      3    PHE     HA     44     0.0978      1.008
+    45         CT      3    PHE     CB     45    -0.0343      12.01
+    46         HC      3    PHE    HB1     46     0.0295      1.008
+    47         HC      3    PHE    HB2     47     0.0295      1.008
+    48         CA      3    PHE     CG     48     0.0118      12.01
+    49         CA      3    PHE    CD1     49    -0.1256      12.01
+    50         HA      3    PHE    HD1     50      0.133      1.008
+    51         CA      3    PHE    CE1     51    -0.1704      12.01
+    52         HA      3    PHE    HE1     52      0.143      1.008
+    53         CA      3    PHE     CZ     53    -0.1072      12.01
+    54         HA      3    PHE     HZ     54     0.1297      1.008
+    55         CA      3    PHE    CE2     55    -0.1704      12.01
+    56         HA      3    PHE    HE2     56      0.143      1.008
+    57         CA      3    PHE    CD2     57    -0.1256      12.01
+    58         HA      3    PHE    HD2     58      0.133      1.008
+    59          C      3    PHE      C     59     0.5973      12.01
+    60          O      3    PHE      O     60    -0.5679         16   ; qtot 2
+; residue   4 GLY rtp GLY  q  0.0
+    61          N      4    GLY      N     61    -0.4157      14.01
+    62          H      4    GLY      H     62     0.2719      1.008
+    63         CT      4    GLY     CA     63    -0.0252      12.01
+    64         H1      4    GLY    HA1     64     0.0698      1.008
+    65         H1      4    GLY    HA2     65     0.0698      1.008
+    66          C      4    GLY      C     66     0.5973      12.01
+    67          O      4    GLY      O     67    -0.5679         16   ; qtot 2
+; residue   5 ARG rtp ARG  q +1.0
+    68          N      5    ARG      N     68    -0.3479      14.01
+    69          H      5    ARG      H     69     0.2747      1.008
+    70         CT      5    ARG     CA     70    -0.2637      12.01
+    71         H1      5    ARG     HA     71      0.156      1.008
+    72         CT      5    ARG     CB     72    -0.0007      12.01
+    73         HC      5    ARG    HB1     73     0.0327      1.008
+    74         HC      5    ARG    HB2     74     0.0327      1.008
+    75         CT      5    ARG     CG     75      0.039      12.01
+    76         HC      5    ARG    HG1     76     0.0285      1.008
+    77         HC      5    ARG    HG2     77     0.0285      1.008
+    78         CT      5    ARG     CD     78     0.0486      12.01
+    79         H1      5    ARG    HD1     79     0.0687      1.008
+    80         H1      5    ARG    HD2     80     0.0687      1.008
+    81         N2      5    ARG     NE     81    -0.5295      14.01
+    82          H      5    ARG     HE     82     0.3456      1.008
+    83         CA      5    ARG     CZ     83     0.8076      12.01
+    84         N2      5    ARG    NH1     84    -0.8627      14.01
+    85          H      5    ARG   HH11     85     0.4478      1.008
+    86          H      5    ARG   HH12     86     0.4478      1.008
+    87         N2      5    ARG    NH2     87    -0.8627      14.01
+    88          H      5    ARG   HH21     88     0.4478      1.008
+    89          H      5    ARG   HH22     89     0.4478      1.008
+    90          C      5    ARG      C     90     0.7341      12.01
+    91          O      5    ARG      O     91    -0.5894         16   ; qtot 3
+; residue   6 CYS rtp CYX  q  0.0
+    92          N      6    CYS      N     92    -0.4157      14.01
+    93          H      6    CYS      H     93     0.2719      1.008
+    94         CT      6    CYS     CA     94     0.0429      12.01
+    95         H1      6    CYS     HA     95     0.0766      1.008
+    96         CT      6    CYS     CB     96     -0.079      12.01
+    97         H1      6    CYS    HB1     97      0.091      1.008
+    98         H1      6    CYS    HB2     98      0.091      1.008
+    99          S      6    CYS     SG     99    -0.1081      32.06
+   100          C      6    CYS      C    100     0.5973      12.01
+   101          O      6    CYS      O    101    -0.5679         16   ; qtot 3
+; residue   7 GLU rtp GLU  q -1.0
+   102          N      7    GLU      N    102    -0.5163      14.01
+   103          H      7    GLU      H    103     0.2936      1.008
+   104         CT      7    GLU     CA    104     0.0397      12.01
+   105         H1      7    GLU     HA    105     0.1105      1.008
+   106         CT      7    GLU     CB    106      0.056      12.01
+   107         HC      7    GLU    HB1    107    -0.0173      1.008
+   108         HC      7    GLU    HB2    108    -0.0173      1.008
+   109         CT      7    GLU     CG    109     0.0136      12.01
+   110         HC      7    GLU    HG1    110    -0.0425      1.008
+   111         HC      7    GLU    HG2    111    -0.0425      1.008
+   112          C      7    GLU     CD    112     0.8054      12.01
+   113         O2      7    GLU    OE1    113    -0.8188         16
+   114         O2      7    GLU    OE2    114    -0.8188         16
+   115          C      7    GLU      C    115     0.5366      12.01
+   116          O      7    GLU      O    116    -0.5819         16   ; qtot 2
+; residue   8 LEU rtp LEU  q  0.0
+   117          N      8    LEU      N    117    -0.4157      14.01
+   118          H      8    LEU      H    118     0.2719      1.008
+   119         CT      8    LEU     CA    119    -0.0518      12.01
+   120         H1      8    LEU     HA    120     0.0922      1.008
+   121         CT      8    LEU     CB    121    -0.1102      12.01
+   122         HC      8    LEU    HB1    122     0.0457      1.008
+   123         HC      8    LEU    HB2    123     0.0457      1.008
+   124         CT      8    LEU     CG    124     0.3531      12.01
+   125         HC      8    LEU     HG    125    -0.0361      1.008
+   126         CT      8    LEU    CD1    126    -0.4121      12.01
+   127         HC      8    LEU   HD11    127        0.1      1.008
+   128         HC      8    LEU   HD12    128        0.1      1.008
+   129         HC      8    LEU   HD13    129        0.1      1.008
+   130         CT      8    LEU    CD2    130    -0.4121      12.01
+   131         HC      8    LEU   HD21    131        0.1      1.008
+   132         HC      8    LEU   HD22    132        0.1      1.008
+   133         HC      8    LEU   HD23    133        0.1      1.008
+   134          C      8    LEU      C    134     0.5973      12.01
+   135          O      8    LEU      O    135    -0.5679         16   ; qtot 2
+; residue   9 ALA rtp ALA  q  0.0
+   136          N      9    ALA      N    136    -0.4157      14.01
+   137          H      9    ALA      H    137     0.2719      1.008
+   138         CT      9    ALA     CA    138     0.0337      12.01
+   139         H1      9    ALA     HA    139     0.0823      1.008
+   140         CT      9    ALA     CB    140    -0.1825      12.01
+   141         HC      9    ALA    HB1    141     0.0603      1.008
+   142         HC      9    ALA    HB2    142     0.0603      1.008
+   143         HC      9    ALA    HB3    143     0.0603      1.008
+   144          C      9    ALA      C    144     0.5973      12.01
+   145          O      9    ALA      O    145    -0.5679         16   ; qtot 2
+; residue  10 ALA rtp ALA  q  0.0
+   146          N     10    ALA      N    146    -0.4157      14.01
+   147          H     10    ALA      H    147     0.2719      1.008
+   148         CT     10    ALA     CA    148     0.0337      12.01
+   149         H1     10    ALA     HA    149     0.0823      1.008
+   150         CT     10    ALA     CB    150    -0.1825      12.01
+   151         HC     10    ALA    HB1    151     0.0603      1.008
+   152         HC     10    ALA    HB2    152     0.0603      1.008
+   153         HC     10    ALA    HB3    153     0.0603      1.008
+   154          C     10    ALA      C    154     0.5973      12.01
+   155          O     10    ALA      O    155    -0.5679         16   ; qtot 2
+; residue  11 ALA rtp ALA  q  0.0
+   156          N     11    ALA      N    156    -0.4157      14.01
+   157          H     11    ALA      H    157     0.2719      1.008
+   158         CT     11    ALA     CA    158     0.0337      12.01
+   159         H1     11    ALA     HA    159     0.0823      1.008
+   160         CT     11    ALA     CB    160    -0.1825      12.01
+   161         HC     11    ALA    HB1    161     0.0603      1.008
+   162         HC     11    ALA    HB2    162     0.0603      1.008
+   163         HC     11    ALA    HB3    163     0.0603      1.008
+   164          C     11    ALA      C    164     0.5973      12.01
+   165          O     11    ALA      O    165    -0.5679         16   ; qtot 2
+; residue  12 MET rtp MET  q  0.0
+   166          N     12    MET      N    166    -0.4157      14.01
+   167          H     12    MET      H    167     0.2719      1.008
+   168         CT     12    MET     CA    168    -0.0237      12.01
+   169         H1     12    MET     HA    169      0.088      1.008
+   170         CT     12    MET     CB    170     0.0342      12.01
+   171         HC     12    MET    HB1    171     0.0241      1.008
+   172         HC     12    MET    HB2    172     0.0241      1.008
+   173         CT     12    MET     CG    173     0.0018      12.01
+   174         H1     12    MET    HG1    174      0.044      1.008
+   175         H1     12    MET    HG2    175      0.044      1.008
+   176          S     12    MET     SD    176    -0.2737      32.06
+   177         CT     12    MET     CE    177    -0.0536      12.01
+   178         H1     12    MET    HE1    178     0.0684      1.008
+   179         H1     12    MET    HE2    179     0.0684      1.008
+   180         H1     12    MET    HE3    180     0.0684      1.008
+   181          C     12    MET      C    181     0.5973      12.01
+   182          O     12    MET      O    182    -0.5679         16   ; qtot 2
+; residue  13 LYS rtp LYS  q +1.0
+   183          N     13    LYS      N    183    -0.3479      14.01
+   184          H     13    LYS      H    184     0.2747      1.008
+   185         CT     13    LYS     CA    185      -0.24      12.01
+   186         H1     13    LYS     HA    186     0.1426      1.008
+   187         CT     13    LYS     CB    187    -0.0094      12.01
+   188         HC     13    LYS    HB1    188     0.0362      1.008
+   189         HC     13    LYS    HB2    189     0.0362      1.008
+   190         CT     13    LYS     CG    190     0.0187      12.01
+   191         HC     13    LYS    HG1    191     0.0103      1.008
+   192         HC     13    LYS    HG2    192     0.0103      1.008
+   193         CT     13    LYS     CD    193    -0.0479      12.01
+   194         HC     13    LYS    HD1    194     0.0621      1.008
+   195         HC     13    LYS    HD2    195     0.0621      1.008
+   196         CT     13    LYS     CE    196    -0.0143      12.01
+   197         HP     13    LYS    HE1    197     0.1135      1.008
+   198         HP     13    LYS    HE2    198     0.1135      1.008
+   199         N3     13    LYS     NZ    199    -0.3854      14.01
+   200          H     13    LYS    HZ1    200       0.34      1.008
+   201          H     13    LYS    HZ2    201       0.34      1.008
+   202          H     13    LYS    HZ3    202       0.34      1.008
+   203          C     13    LYS      C    203     0.7341      12.01
+   204          O     13    LYS      O    204    -0.5894         16   ; qtot 3
+; residue  14 ARG rtp ARG  q +1.0
+   205          N     14    ARG      N    205    -0.3479      14.01
+   206          H     14    ARG      H    206     0.2747      1.008
+   207         CT     14    ARG     CA    207    -0.2637      12.01
+   208         H1     14    ARG     HA    208      0.156      1.008
+   209         CT     14    ARG     CB    209    -0.0007      12.01
+   210         HC     14    ARG    HB1    210     0.0327      1.008
+   211         HC     14    ARG    HB2    211     0.0327      1.008
+   212         CT     14    ARG     CG    212      0.039      12.01
+   213         HC     14    ARG    HG1    213     0.0285      1.008
+   214         HC     14    ARG    HG2    214     0.0285      1.008
+   215         CT     14    ARG     CD    215     0.0486      12.01
+   216         H1     14    ARG    HD1    216     0.0687      1.008
+   217         H1     14    ARG    HD2    217     0.0687      1.008
+   218         N2     14    ARG     NE    218    -0.5295      14.01
+   219          H     14    ARG     HE    219     0.3456      1.008
+   220         CA     14    ARG     CZ    220     0.8076      12.01
+   221         N2     14    ARG    NH1    221    -0.8627      14.01
+   222          H     14    ARG   HH11    222     0.4478      1.008
+   223          H     14    ARG   HH12    223     0.4478      1.008
+   224         N2     14    ARG    NH2    224    -0.8627      14.01
+   225          H     14    ARG   HH21    225     0.4478      1.008
+   226          H     14    ARG   HH22    226     0.4478      1.008
+   227          C     14    ARG      C    227     0.7341      12.01
+   228          O     14    ARG      O    228    -0.5894         16   ; qtot 4
+; residue  15 HIS rtp HID  q  0.0
+   229          N     15    HIS      N    229    -0.4157      14.01
+   230          H     15    HIS      H    230     0.2719      1.008
+   231         CT     15    HIS     CA    231     0.0188      12.01
+   232         H1     15    HIS     HA    232     0.0881      1.008
+   233         CT     15    HIS     CB    233    -0.0462      12.01
+   234         HC     15    HIS    HB1    234     0.0402      1.008
+   235         HC     15    HIS    HB2    235     0.0402      1.008
+   236         CC     15    HIS     CG    236    -0.0266      12.01
+   237         NA     15    HIS    ND1    237    -0.3811      14.01
+   238          H     15    HIS    HD1    238     0.3649      1.008
+   239         CR     15    HIS    CE1    239     0.2057      12.01
+   240         H5     15    HIS    HE1    240     0.1392      1.008
+   241         NB     15    HIS    NE2    241    -0.5727      14.01
+   242         CV     15    HIS    CD2    242     0.1292      12.01
+   243         H4     15    HIS    HD2    243     0.1147      1.008
+   244          C     15    HIS      C    244     0.5973      12.01
+   245          O     15    HIS      O    245    -0.5679         16   ; qtot 4
+; residue  16 GLY rtp GLY  q  0.0
+   246          N     16    GLY      N    246    -0.4157      14.01
+   247          H     16    GLY      H    247     0.2719      1.008
+   248         CT     16    GLY     CA    248    -0.0252      12.01
+   249         H1     16    GLY    HA1    249     0.0698      1.008
+   250         H1     16    GLY    HA2    250     0.0698      1.008
+   251          C     16    GLY      C    251     0.5973      12.01
+   252          O     16    GLY      O    252    -0.5679         16   ; qtot 4
+; residue  17 LEU rtp LEU  q  0.0
+   253          N     17    LEU      N    253    -0.4157      14.01
+   254          H     17    LEU      H    254     0.2719      1.008
+   255         CT     17    LEU     CA    255    -0.0518      12.01
+   256         H1     17    LEU     HA    256     0.0922      1.008
+   257         CT     17    LEU     CB    257    -0.1102      12.01
+   258         HC     17    LEU    HB1    258     0.0457      1.008
+   259         HC     17    LEU    HB2    259     0.0457      1.008
+   260         CT     17    LEU     CG    260     0.3531      12.01
+   261         HC     17    LEU     HG    261    -0.0361      1.008
+   262         CT     17    LEU    CD1    262    -0.4121      12.01
+   263         HC     17    LEU   HD11    263        0.1      1.008
+   264         HC     17    LEU   HD12    264        0.1      1.008
+   265         HC     17    LEU   HD13    265        0.1      1.008
+   266         CT     17    LEU    CD2    266    -0.4121      12.01
+   267         HC     17    LEU   HD21    267        0.1      1.008
+   268         HC     17    LEU   HD22    268        0.1      1.008
+   269         HC     17    LEU   HD23    269        0.1      1.008
+   270          C     17    LEU      C    270     0.5973      12.01
+   271          O     17    LEU      O    271    -0.5679         16   ; qtot 4
+; residue  18 ASP rtp ASP  q -1.0
+   272          N     18    ASP      N    272    -0.5163      14.01
+   273          H     18    ASP      H    273     0.2936      1.008
+   274         CT     18    ASP     CA    274     0.0381      12.01
+   275         H1     18    ASP     HA    275      0.088      1.008
+   276         CT     18    ASP     CB    276    -0.0303      12.01
+   277         HC     18    ASP    HB1    277    -0.0122      1.008
+   278         HC     18    ASP    HB2    278    -0.0122      1.008
+   279          C     18    ASP     CG    279     0.7994      12.01
+   280         O2     18    ASP    OD1    280    -0.8014         16
+   281         O2     18    ASP    OD2    281    -0.8014         16
+   282          C     18    ASP      C    282     0.5366      12.01
+   283          O     18    ASP      O    283    -0.5819         16   ; qtot 3
+; residue  19 ASN rtp ASN  q  0.0
+   284          N     19    ASN      N    284    -0.4157      14.01
+   285          H     19    ASN      H    285     0.2719      1.008
+   286         CT     19    ASN     CA    286     0.0143      12.01
+   287         H1     19    ASN     HA    287     0.1048      1.008
+   288         CT     19    ASN     CB    288    -0.2041      12.01
+   289         HC     19    ASN    HB1    289     0.0797      1.008
+   290         HC     19    ASN    HB2    290     0.0797      1.008
+   291          C     19    ASN     CG    291      0.713      12.01
+   292          O     19    ASN    OD1    292    -0.5931         16
+   293          N     19    ASN    ND2    293    -0.9191      14.01
+   294          H     19    ASN   HD21    294     0.4196      1.008
+   295          H     19    ASN   HD22    295     0.4196      1.008
+   296          C     19    ASN      C    296     0.5973      12.01
+   297          O     19    ASN      O    297    -0.5679         16   ; qtot 3
+; residue  20 TYR rtp TYR  q  0.0
+   298          N     20    TYR      N    298    -0.4157      14.01
+   299          H     20    TYR      H    299     0.2719      1.008
+   300         CT     20    TYR     CA    300    -0.0014      12.01
+   301         H1     20    TYR     HA    301     0.0876      1.008
+   302         CT     20    TYR     CB    302    -0.0152      12.01
+   303         HC     20    TYR    HB1    303     0.0295      1.008
+   304         HC     20    TYR    HB2    304     0.0295      1.008
+   305         CA     20    TYR     CG    305    -0.0011      12.01
+   306         CA     20    TYR    CD1    306    -0.1906      12.01
+   307         HA     20    TYR    HD1    307     0.1699      1.008
+   308         CA     20    TYR    CE1    308    -0.2341      12.01
+   309         HA     20    TYR    HE1    309     0.1656      1.008
+   310          C     20    TYR     CZ    310     0.3226      12.01
+   311         OH     20    TYR     OH    311    -0.5579         16
+   312         HO     20    TYR     HH    312     0.3992      1.008
+   313         CA     20    TYR    CE2    313    -0.2341      12.01
+   314         HA     20    TYR    HE2    314     0.1656      1.008
+   315         CA     20    TYR    CD2    315    -0.1906      12.01
+   316         HA     20    TYR    HD2    316     0.1699      1.008
+   317          C     20    TYR      C    317     0.5973      12.01
+   318          O     20    TYR      O    318    -0.5679         16   ; qtot 3
+; residue  21 ARG rtp ARG  q +1.0
+   319          N     21    ARG      N    319    -0.3479      14.01
+   320          H     21    ARG      H    320     0.2747      1.008
+   321         CT     21    ARG     CA    321    -0.2637      12.01
+   322         H1     21    ARG     HA    322      0.156      1.008
+   323         CT     21    ARG     CB    323    -0.0007      12.01
+   324         HC     21    ARG    HB1    324     0.0327      1.008
+   325         HC     21    ARG    HB2    325     0.0327      1.008
+   326         CT     21    ARG     CG    326      0.039      12.01
+   327         HC     21    ARG    HG1    327     0.0285      1.008
+   328         HC     21    ARG    HG2    328     0.0285      1.008
+   329         CT     21    ARG     CD    329     0.0486      12.01
+   330         H1     21    ARG    HD1    330     0.0687      1.008
+   331         H1     21    ARG    HD2    331     0.0687      1.008
+   332         N2     21    ARG     NE    332    -0.5295      14.01
+   333          H     21    ARG     HE    333     0.3456      1.008
+   334         CA     21    ARG     CZ    334     0.8076      12.01
+   335         N2     21    ARG    NH1    335    -0.8627      14.01
+   336          H     21    ARG   HH11    336     0.4478      1.008
+   337          H     21    ARG   HH12    337     0.4478      1.008
+   338         N2     21    ARG    NH2    338    -0.8627      14.01
+   339          H     21    ARG   HH21    339     0.4478      1.008
+   340          H     21    ARG   HH22    340     0.4478      1.008
+   341          C     21    ARG      C    341     0.7341      12.01
+   342          O     21    ARG      O    342    -0.5894         16   ; qtot 4
+; residue  22 GLY rtp GLY  q  0.0
+   343          N     22    GLY      N    343    -0.4157      14.01
+   344          H     22    GLY      H    344     0.2719      1.008
+   345         CT     22    GLY     CA    345    -0.0252      12.01
+   346         H1     22    GLY    HA1    346     0.0698      1.008
+   347         H1     22    GLY    HA2    347     0.0698      1.008
+   348          C     22    GLY      C    348     0.5973      12.01
+   349          O     22    GLY      O    349    -0.5679         16   ; qtot 4
+; residue  23 TYR rtp TYR  q  0.0
+   350          N     23    TYR      N    350    -0.4157      14.01
+   351          H     23    TYR      H    351     0.2719      1.008
+   352         CT     23    TYR     CA    352    -0.0014      12.01
+   353         H1     23    TYR     HA    353     0.0876      1.008
+   354         CT     23    TYR     CB    354    -0.0152      12.01
+   355         HC     23    TYR    HB1    355     0.0295      1.008
+   356         HC     23    TYR    HB2    356     0.0295      1.008
+   357         CA     23    TYR     CG    357    -0.0011      12.01
+   358         CA     23    TYR    CD1    358    -0.1906      12.01
+   359         HA     23    TYR    HD1    359     0.1699      1.008
+   360         CA     23    TYR    CE1    360    -0.2341      12.01
+   361         HA     23    TYR    HE1    361     0.1656      1.008
+   362          C     23    TYR     CZ    362     0.3226      12.01
+   363         OH     23    TYR     OH    363    -0.5579         16
+   364         HO     23    TYR     HH    364     0.3992      1.008
+   365         CA     23    TYR    CE2    365    -0.2341      12.01
+   366         HA     23    TYR    HE2    366     0.1656      1.008
+   367         CA     23    TYR    CD2    367    -0.1906      12.01
+   368         HA     23    TYR    HD2    368     0.1699      1.008
+   369          C     23    TYR      C    369     0.5973      12.01
+   370          O     23    TYR      O    370    -0.5679         16   ; qtot 4
+; residue  24 SER rtp SER  q  0.0
+   371          N     24    SER      N    371    -0.4157      14.01
+   372          H     24    SER      H    372     0.2719      1.008
+   373         CT     24    SER     CA    373    -0.0249      12.01
+   374         H1     24    SER     HA    374     0.0843      1.008
+   375         CT     24    SER     CB    375     0.2117      12.01
+   376         H1     24    SER    HB1    376     0.0352      1.008
+   377         H1     24    SER    HB2    377     0.0352      1.008
+   378         OH     24    SER     OG    378    -0.6546         16
+   379         HO     24    SER     HG    379     0.4275      1.008
+   380          C     24    SER      C    380     0.5973      12.01
+   381          O     24    SER      O    381    -0.5679         16   ; qtot 4
+; residue  25 LEU rtp LEU  q  0.0
+   382          N     25    LEU      N    382    -0.4157      14.01
+   383          H     25    LEU      H    383     0.2719      1.008
+   384         CT     25    LEU     CA    384    -0.0518      12.01
+   385         H1     25    LEU     HA    385     0.0922      1.008
+   386         CT     25    LEU     CB    386    -0.1102      12.01
+   387         HC     25    LEU    HB1    387     0.0457      1.008
+   388         HC     25    LEU    HB2    388     0.0457      1.008
+   389         CT     25    LEU     CG    389     0.3531      12.01
+   390         HC     25    LEU     HG    390    -0.0361      1.008
+   391         CT     25    LEU    CD1    391    -0.4121      12.01
+   392         HC     25    LEU   HD11    392        0.1      1.008
+   393         HC     25    LEU   HD12    393        0.1      1.008
+   394         HC     25    LEU   HD13    394        0.1      1.008
+   395         CT     25    LEU    CD2    395    -0.4121      12.01
+   396         HC     25    LEU   HD21    396        0.1      1.008
+   397         HC     25    LEU   HD22    397        0.1      1.008
+   398         HC     25    LEU   HD23    398        0.1      1.008
+   399          C     25    LEU      C    399     0.5973      12.01
+   400          O     25    LEU      O    400    -0.5679         16   ; qtot 4
+; residue  26 GLY rtp GLY  q  0.0
+   401          N     26    GLY      N    401    -0.4157      14.01
+   402          H     26    GLY      H    402     0.2719      1.008
+   403         CT     26    GLY     CA    403    -0.0252      12.01
+   404         H1     26    GLY    HA1    404     0.0698      1.008
+   405         H1     26    GLY    HA2    405     0.0698      1.008
+   406          C     26    GLY      C    406     0.5973      12.01
+   407          O     26    GLY      O    407    -0.5679         16   ; qtot 4
+; residue  27 ASN rtp ASN  q  0.0
+   408          N     27    ASN      N    408    -0.4157      14.01
+   409          H     27    ASN      H    409     0.2719      1.008
+   410         CT     27    ASN     CA    410     0.0143      12.01
+   411         H1     27    ASN     HA    411     0.1048      1.008
+   412         CT     27    ASN     CB    412    -0.2041      12.01
+   413         HC     27    ASN    HB1    413     0.0797      1.008
+   414         HC     27    ASN    HB2    414     0.0797      1.008
+   415          C     27    ASN     CG    415      0.713      12.01
+   416          O     27    ASN    OD1    416    -0.5931         16
+   417          N     27    ASN    ND2    417    -0.9191      14.01
+   418          H     27    ASN   HD21    418     0.4196      1.008
+   419          H     27    ASN   HD22    419     0.4196      1.008
+   420          C     27    ASN      C    420     0.5973      12.01
+   421          O     27    ASN      O    421    -0.5679         16   ; qtot 4
+; residue  28 TRP rtp TRP  q  0.0
+   422          N     28    TRP      N    422    -0.4157      14.01
+   423          H     28    TRP      H    423     0.2719      1.008
+   424         CT     28    TRP     CA    424    -0.0275      12.01
+   425         H1     28    TRP     HA    425     0.1123      1.008
+   426         CT     28    TRP     CB    426     -0.005      12.01
+   427         HC     28    TRP    HB1    427     0.0339      1.008
+   428         HC     28    TRP    HB2    428     0.0339      1.008
+   429         C*     28    TRP     CG    429    -0.1415      12.01
+   430         CW     28    TRP    CD1    430    -0.1638      12.01
+   431         H4     28    TRP    HD1    431     0.2062      1.008
+   432         NA     28    TRP    NE1    432    -0.3418      14.01
+   433          H     28    TRP    HE1    433     0.3412      1.008
+   434         CN     28    TRP    CE2    434      0.138      12.01
+   435         CA     28    TRP    CZ2    435    -0.2601      12.01
+   436         HA     28    TRP    HZ2    436     0.1572      1.008
+   437         CA     28    TRP    CH2    437    -0.1134      12.01
+   438         HA     28    TRP    HH2    438     0.1417      1.008
+   439         CA     28    TRP    CZ3    439    -0.1972      12.01
+   440         HA     28    TRP    HZ3    440     0.1447      1.008
+   441         CA     28    TRP    CE3    441    -0.2387      12.01
+   442         HA     28    TRP    HE3    442       0.17      1.008
+   443         CB     28    TRP    CD2    443     0.1243      12.01
+   444          C     28    TRP      C    444     0.5973      12.01
+   445          O     28    TRP      O    445    -0.5679         16   ; qtot 4
+; residue  29 VAL rtp VAL  q  0.0
+   446          N     29    VAL      N    446    -0.4157      14.01
+   447          H     29    VAL      H    447     0.2719      1.008
+   448         CT     29    VAL     CA    448    -0.0875      12.01
+   449         H1     29    VAL     HA    449     0.0969      1.008
+   450         CT     29    VAL     CB    450     0.2985      12.01
+   451         HC     29    VAL     HB    451    -0.0297      1.008
+   452         CT     29    VAL    CG1    452    -0.3192      12.01
+   453         HC     29    VAL   HG11    453     0.0791      1.008
+   454         HC     29    VAL   HG12    454     0.0791      1.008
+   455         HC     29    VAL   HG13    455     0.0791      1.008
+   456         CT     29    VAL    CG2    456    -0.3192      12.01
+   457         HC     29    VAL   HG21    457     0.0791      1.008
+   458         HC     29    VAL   HG22    458     0.0791      1.008
+   459         HC     29    VAL   HG23    459     0.0791      1.008
+   460          C     29    VAL      C    460     0.5973      12.01
+   461          O     29    VAL      O    461    -0.5679         16   ; qtot 4
+; residue  30 CYS rtp CYX  q  0.0
+   462          N     30    CYS      N    462    -0.4157      14.01
+   463          H     30    CYS      H    463     0.2719      1.008
+   464         CT     30    CYS     CA    464     0.0429      12.01
+   465         H1     30    CYS     HA    465     0.0766      1.008
+   466         CT     30    CYS     CB    466     -0.079      12.01
+   467         H1     30    CYS    HB1    467      0.091      1.008
+   468         H1     30    CYS    HB2    468      0.091      1.008
+   469          S     30    CYS     SG    469    -0.1081      32.06
+   470          C     30    CYS      C    470     0.5973      12.01
+   471          O     30    CYS      O    471    -0.5679         16   ; qtot 4
+; residue  31 ALA rtp ALA  q  0.0
+   472          N     31    ALA      N    472    -0.4157      14.01
+   473          H     31    ALA      H    473     0.2719      1.008
+   474         CT     31    ALA     CA    474     0.0337      12.01
+   475         H1     31    ALA     HA    475     0.0823      1.008
+   476         CT     31    ALA     CB    476    -0.1825      12.01
+   477         HC     31    ALA    HB1    477     0.0603      1.008
+   478         HC     31    ALA    HB2    478     0.0603      1.008
+   479         HC     31    ALA    HB3    479     0.0603      1.008
+   480          C     31    ALA      C    480     0.5973      12.01
+   481          O     31    ALA      O    481    -0.5679         16   ; qtot 4
+; residue  32 ALA rtp ALA  q  0.0
+   482          N     32    ALA      N    482    -0.4157      14.01
+   483          H     32    ALA      H    483     0.2719      1.008
+   484         CT     32    ALA     CA    484     0.0337      12.01
+   485         H1     32    ALA     HA    485     0.0823      1.008
+   486         CT     32    ALA     CB    486    -0.1825      12.01
+   487         HC     32    ALA    HB1    487     0.0603      1.008
+   488         HC     32    ALA    HB2    488     0.0603      1.008
+   489         HC     32    ALA    HB3    489     0.0603      1.008
+   490          C     32    ALA      C    490     0.5973      12.01
+   491          O     32    ALA      O    491    -0.5679         16   ; qtot 4
+; residue  33 LYS rtp LYS  q +1.0
+   492          N     33    LYS      N    492    -0.3479      14.01
+   493          H     33    LYS      H    493     0.2747      1.008
+   494         CT     33    LYS     CA    494      -0.24      12.01
+   495         H1     33    LYS     HA    495     0.1426      1.008
+   496         CT     33    LYS     CB    496    -0.0094      12.01
+   497         HC     33    LYS    HB1    497     0.0362      1.008
+   498         HC     33    LYS    HB2    498     0.0362      1.008
+   499         CT     33    LYS     CG    499     0.0187      12.01
+   500         HC     33    LYS    HG1    500     0.0103      1.008
+   501         HC     33    LYS    HG2    501     0.0103      1.008
+   502         CT     33    LYS     CD    502    -0.0479      12.01
+   503         HC     33    LYS    HD1    503     0.0621      1.008
+   504         HC     33    LYS    HD2    504     0.0621      1.008
+   505         CT     33    LYS     CE    505    -0.0143      12.01
+   506         HP     33    LYS    HE1    506     0.1135      1.008
+   507         HP     33    LYS    HE2    507     0.1135      1.008
+   508         N3     33    LYS     NZ    508    -0.3854      14.01
+   509          H     33    LYS    HZ1    509       0.34      1.008
+   510          H     33    LYS    HZ2    510       0.34      1.008
+   511          H     33    LYS    HZ3    511       0.34      1.008
+   512          C     33    LYS      C    512     0.7341      12.01
+   513          O     33    LYS      O    513    -0.5894         16   ; qtot 5
+; residue  34 PHE rtp PHE  q  0.0
+   514          N     34    PHE      N    514    -0.4157      14.01
+   515          H     34    PHE      H    515     0.2719      1.008
+   516         CT     34    PHE     CA    516    -0.0024      12.01
+   517         H1     34    PHE     HA    517     0.0978      1.008
+   518         CT     34    PHE     CB    518    -0.0343      12.01
+   519         HC     34    PHE    HB1    519     0.0295      1.008
+   520         HC     34    PHE    HB2    520     0.0295      1.008
+   521         CA     34    PHE     CG    521     0.0118      12.01
+   522         CA     34    PHE    CD1    522    -0.1256      12.01
+   523         HA     34    PHE    HD1    523      0.133      1.008
+   524         CA     34    PHE    CE1    524    -0.1704      12.01
+   525         HA     34    PHE    HE1    525      0.143      1.008
+   526         CA     34    PHE     CZ    526    -0.1072      12.01
+   527         HA     34    PHE     HZ    527     0.1297      1.008
+   528         CA     34    PHE    CE2    528    -0.1704      12.01
+   529         HA     34    PHE    HE2    529      0.143      1.008
+   530         CA     34    PHE    CD2    530    -0.1256      12.01
+   531         HA     34    PHE    HD2    531      0.133      1.008
+   532          C     34    PHE      C    532     0.5973      12.01
+   533          O     34    PHE      O    533    -0.5679         16   ; qtot 5
+; residue  35 GLU rtp GLU  q -1.0
+   534          N     35    GLU      N    534    -0.5163      14.01
+   535          H     35    GLU      H    535     0.2936      1.008
+   536         CT     35    GLU     CA    536     0.0397      12.01
+   537         H1     35    GLU     HA    537     0.1105      1.008
+   538         CT     35    GLU     CB    538      0.056      12.01
+   539         HC     35    GLU    HB1    539    -0.0173      1.008
+   540         HC     35    GLU    HB2    540    -0.0173      1.008
+   541         CT     35    GLU     CG    541     0.0136      12.01
+   542         HC     35    GLU    HG1    542    -0.0425      1.008
+   543         HC     35    GLU    HG2    543    -0.0425      1.008
+   544          C     35    GLU     CD    544     0.8054      12.01
+   545         O2     35    GLU    OE1    545    -0.8188         16
+   546         O2     35    GLU    OE2    546    -0.8188         16
+   547          C     35    GLU      C    547     0.5366      12.01
+   548          O     35    GLU      O    548    -0.5819         16   ; qtot 4
+; residue  36 SER rtp SER  q  0.0
+   549          N     36    SER      N    549    -0.4157      14.01
+   550          H     36    SER      H    550     0.2719      1.008
+   551         CT     36    SER     CA    551    -0.0249      12.01
+   552         H1     36    SER     HA    552     0.0843      1.008
+   553         CT     36    SER     CB    553     0.2117      12.01
+   554         H1     36    SER    HB1    554     0.0352      1.008
+   555         H1     36    SER    HB2    555     0.0352      1.008
+   556         OH     36    SER     OG    556    -0.6546         16
+   557         HO     36    SER     HG    557     0.4275      1.008
+   558          C     36    SER      C    558     0.5973      12.01
+   559          O     36    SER      O    559    -0.5679         16   ; qtot 4
+; residue  37 ASN rtp ASN  q  0.0
+   560          N     37    ASN      N    560    -0.4157      14.01
+   561          H     37    ASN      H    561     0.2719      1.008
+   562         CT     37    ASN     CA    562     0.0143      12.01
+   563         H1     37    ASN     HA    563     0.1048      1.008
+   564         CT     37    ASN     CB    564    -0.2041      12.01
+   565         HC     37    ASN    HB1    565     0.0797      1.008
+   566         HC     37    ASN    HB2    566     0.0797      1.008
+   567          C     37    ASN     CG    567      0.713      12.01
+   568          O     37    ASN    OD1    568    -0.5931         16
+   569          N     37    ASN    ND2    569    -0.9191      14.01
+   570          H     37    ASN   HD21    570     0.4196      1.008
+   571          H     37    ASN   HD22    571     0.4196      1.008
+   572          C     37    ASN      C    572     0.5973      12.01
+   573          O     37    ASN      O    573    -0.5679         16   ; qtot 4
+; residue  38 PHE rtp PHE  q  0.0
+   574          N     38    PHE      N    574    -0.4157      14.01
+   575          H     38    PHE      H    575     0.2719      1.008
+   576         CT     38    PHE     CA    576    -0.0024      12.01
+   577         H1     38    PHE     HA    577     0.0978      1.008
+   578         CT     38    PHE     CB    578    -0.0343      12.01
+   579         HC     38    PHE    HB1    579     0.0295      1.008
+   580         HC     38    PHE    HB2    580     0.0295      1.008
+   581         CA     38    PHE     CG    581     0.0118      12.01
+   582         CA     38    PHE    CD1    582    -0.1256      12.01
+   583         HA     38    PHE    HD1    583      0.133      1.008
+   584         CA     38    PHE    CE1    584    -0.1704      12.01
+   585         HA     38    PHE    HE1    585      0.143      1.008
+   586         CA     38    PHE     CZ    586    -0.1072      12.01
+   587         HA     38    PHE     HZ    587     0.1297      1.008
+   588         CA     38    PHE    CE2    588    -0.1704      12.01
+   589         HA     38    PHE    HE2    589      0.143      1.008
+   590         CA     38    PHE    CD2    590    -0.1256      12.01
+   591         HA     38    PHE    HD2    591      0.133      1.008
+   592          C     38    PHE      C    592     0.5973      12.01
+   593          O     38    PHE      O    593    -0.5679         16   ; qtot 4
+; residue  39 ASN rtp ASN  q  0.0
+   594          N     39    ASN      N    594    -0.4157      14.01
+   595          H     39    ASN      H    595     0.2719      1.008
+   596         CT     39    ASN     CA    596     0.0143      12.01
+   597         H1     39    ASN     HA    597     0.1048      1.008
+   598         CT     39    ASN     CB    598    -0.2041      12.01
+   599         HC     39    ASN    HB1    599     0.0797      1.008
+   600         HC     39    ASN    HB2    600     0.0797      1.008
+   601          C     39    ASN     CG    601      0.713      12.01
+   602          O     39    ASN    OD1    602    -0.5931         16
+   603          N     39    ASN    ND2    603    -0.9191      14.01
+   604          H     39    ASN   HD21    604     0.4196      1.008
+   605          H     39    ASN   HD22    605     0.4196      1.008
+   606          C     39    ASN      C    606     0.5973      12.01
+   607          O     39    ASN      O    607    -0.5679         16   ; qtot 4
+; residue  40 THR rtp THR  q  0.0
+   608          N     40    THR      N    608    -0.4157      14.01
+   609          H     40    THR      H    609     0.2719      1.008
+   610         CT     40    THR     CA    610    -0.0389      12.01
+   611         H1     40    THR     HA    611     0.1007      1.008
+   612         CT     40    THR     CB    612     0.3654      12.01
+   613         H1     40    THR     HB    613     0.0043      1.008
+   614         CT     40    THR    CG2    614    -0.2438      12.01
+   615         HC     40    THR   HG21    615     0.0642      1.008
+   616         HC     40    THR   HG22    616     0.0642      1.008
+   617         HC     40    THR   HG23    617     0.0642      1.008
+   618         OH     40    THR    OG1    618    -0.6761         16
+   619         HO     40    THR    HG1    619     0.4102      1.008
+   620          C     40    THR      C    620     0.5973      12.01
+   621          O     40    THR      O    621    -0.5679         16   ; qtot 4
+; residue  41 GLN rtp GLN  q  0.0
+   622          N     41    GLN      N    622    -0.4157      14.01
+   623          H     41    GLN      H    623     0.2719      1.008
+   624         CT     41    GLN     CA    624    -0.0031      12.01
+   625         H1     41    GLN     HA    625      0.085      1.008
+   626         CT     41    GLN     CB    626    -0.0036      12.01
+   627         HC     41    GLN    HB1    627     0.0171      1.008
+   628         HC     41    GLN    HB2    628     0.0171      1.008
+   629         CT     41    GLN     CG    629    -0.0645      12.01
+   630         HC     41    GLN    HG1    630     0.0352      1.008
+   631         HC     41    GLN    HG2    631     0.0352      1.008
+   632          C     41    GLN     CD    632     0.6951      12.01
+   633          O     41    GLN    OE1    633    -0.6086         16
+   634          N     41    GLN    NE2    634    -0.9407      14.01
+   635          H     41    GLN   HE21    635     0.4251      1.008
+   636          H     41    GLN   HE22    636     0.4251      1.008
+   637          C     41    GLN      C    637     0.5973      12.01
+   638          O     41    GLN      O    638    -0.5679         16   ; qtot 4
+; residue  42 ALA rtp ALA  q  0.0
+   639          N     42    ALA      N    639    -0.4157      14.01
+   640          H     42    ALA      H    640     0.2719      1.008
+   641         CT     42    ALA     CA    641     0.0337      12.01
+   642         H1     42    ALA     HA    642     0.0823      1.008
+   643         CT     42    ALA     CB    643    -0.1825      12.01
+   644         HC     42    ALA    HB1    644     0.0603      1.008
+   645         HC     42    ALA    HB2    645     0.0603      1.008
+   646         HC     42    ALA    HB3    646     0.0603      1.008
+   647          C     42    ALA      C    647     0.5973      12.01
+   648          O     42    ALA      O    648    -0.5679         16   ; qtot 4
+; residue  43 THR rtp THR  q  0.0
+   649          N     43    THR      N    649    -0.4157      14.01
+   650          H     43    THR      H    650     0.2719      1.008
+   651         CT     43    THR     CA    651    -0.0389      12.01
+   652         H1     43    THR     HA    652     0.1007      1.008
+   653         CT     43    THR     CB    653     0.3654      12.01
+   654         H1     43    THR     HB    654     0.0043      1.008
+   655         CT     43    THR    CG2    655    -0.2438      12.01
+   656         HC     43    THR   HG21    656     0.0642      1.008
+   657         HC     43    THR   HG22    657     0.0642      1.008
+   658         HC     43    THR   HG23    658     0.0642      1.008
+   659         OH     43    THR    OG1    659    -0.6761         16
+   660         HO     43    THR    HG1    660     0.4102      1.008
+   661          C     43    THR      C    661     0.5973      12.01
+   662          O     43    THR      O    662    -0.5679         16   ; qtot 4
+; residue  44 ASN rtp ASN  q  0.0
+   663          N     44    ASN      N    663    -0.4157      14.01
+   664          H     44    ASN      H    664     0.2719      1.008
+   665         CT     44    ASN     CA    665     0.0143      12.01
+   666         H1     44    ASN     HA    666     0.1048      1.008
+   667         CT     44    ASN     CB    667    -0.2041      12.01
+   668         HC     44    ASN    HB1    668     0.0797      1.008
+   669         HC     44    ASN    HB2    669     0.0797      1.008
+   670          C     44    ASN     CG    670      0.713      12.01
+   671          O     44    ASN    OD1    671    -0.5931         16
+   672          N     44    ASN    ND2    672    -0.9191      14.01
+   673          H     44    ASN   HD21    673     0.4196      1.008
+   674          H     44    ASN   HD22    674     0.4196      1.008
+   675          C     44    ASN      C    675     0.5973      12.01
+   676          O     44    ASN      O    676    -0.5679         16   ; qtot 4
+; residue  45 ARG rtp ARG  q +1.0
+   677          N     45    ARG      N    677    -0.3479      14.01
+   678          H     45    ARG      H    678     0.2747      1.008
+   679         CT     45    ARG     CA    679    -0.2637      12.01
+   680         H1     45    ARG     HA    680      0.156      1.008
+   681         CT     45    ARG     CB    681    -0.0007      12.01
+   682         HC     45    ARG    HB1    682     0.0327      1.008
+   683         HC     45    ARG    HB2    683     0.0327      1.008
+   684         CT     45    ARG     CG    684      0.039      12.01
+   685         HC     45    ARG    HG1    685     0.0285      1.008
+   686         HC     45    ARG    HG2    686     0.0285      1.008
+   687         CT     45    ARG     CD    687     0.0486      12.01
+   688         H1     45    ARG    HD1    688     0.0687      1.008
+   689         H1     45    ARG    HD2    689     0.0687      1.008
+   690         N2     45    ARG     NE    690    -0.5295      14.01
+   691          H     45    ARG     HE    691     0.3456      1.008
+   692         CA     45    ARG     CZ    692     0.8076      12.01
+   693         N2     45    ARG    NH1    693    -0.8627      14.01
+   694          H     45    ARG   HH11    694     0.4478      1.008
+   695          H     45    ARG   HH12    695     0.4478      1.008
+   696         N2     45    ARG    NH2    696    -0.8627      14.01
+   697          H     45    ARG   HH21    697     0.4478      1.008
+   698          H     45    ARG   HH22    698     0.4478      1.008
+   699          C     45    ARG      C    699     0.7341      12.01
+   700          O     45    ARG      O    700    -0.5894         16   ; qtot 5
+; residue  46 ASN rtp ASN  q  0.0
+   701          N     46    ASN      N    701    -0.4157      14.01
+   702          H     46    ASN      H    702     0.2719      1.008
+   703         CT     46    ASN     CA    703     0.0143      12.01
+   704         H1     46    ASN     HA    704     0.1048      1.008
+   705         CT     46    ASN     CB    705    -0.2041      12.01
+   706         HC     46    ASN    HB1    706     0.0797      1.008
+   707         HC     46    ASN    HB2    707     0.0797      1.008
+   708          C     46    ASN     CG    708      0.713      12.01
+   709          O     46    ASN    OD1    709    -0.5931         16
+   710          N     46    ASN    ND2    710    -0.9191      14.01
+   711          H     46    ASN   HD21    711     0.4196      1.008
+   712          H     46    ASN   HD22    712     0.4196      1.008
+   713          C     46    ASN      C    713     0.5973      12.01
+   714          O     46    ASN      O    714    -0.5679         16   ; qtot 5
+; residue  47 THR rtp THR  q  0.0
+   715          N     47    THR      N    715    -0.4157      14.01
+   716          H     47    THR      H    716     0.2719      1.008
+   717         CT     47    THR     CA    717    -0.0389      12.01
+   718         H1     47    THR     HA    718     0.1007      1.008
+   719         CT     47    THR     CB    719     0.3654      12.01
+   720         H1     47    THR     HB    720     0.0043      1.008
+   721         CT     47    THR    CG2    721    -0.2438      12.01
+   722         HC     47    THR   HG21    722     0.0642      1.008
+   723         HC     47    THR   HG22    723     0.0642      1.008
+   724         HC     47    THR   HG23    724     0.0642      1.008
+   725         OH     47    THR    OG1    725    -0.6761         16
+   726         HO     47    THR    HG1    726     0.4102      1.008
+   727          C     47    THR      C    727     0.5973      12.01
+   728          O     47    THR      O    728    -0.5679         16   ; qtot 5
+; residue  48 ASP rtp ASP  q -1.0
+   729          N     48    ASP      N    729    -0.5163      14.01
+   730          H     48    ASP      H    730     0.2936      1.008
+   731         CT     48    ASP     CA    731     0.0381      12.01
+   732         H1     48    ASP     HA    732      0.088      1.008
+   733         CT     48    ASP     CB    733    -0.0303      12.01
+   734         HC     48    ASP    HB1    734    -0.0122      1.008
+   735         HC     48    ASP    HB2    735    -0.0122      1.008
+   736          C     48    ASP     CG    736     0.7994      12.01
+   737         O2     48    ASP    OD1    737    -0.8014         16
+   738         O2     48    ASP    OD2    738    -0.8014         16
+   739          C     48    ASP      C    739     0.5366      12.01
+   740          O     48    ASP      O    740    -0.5819         16   ; qtot 4
+; residue  49 GLY rtp GLY  q  0.0
+   741          N     49    GLY      N    741    -0.4157      14.01
+   742          H     49    GLY      H    742     0.2719      1.008
+   743         CT     49    GLY     CA    743    -0.0252      12.01
+   744         H1     49    GLY    HA1    744     0.0698      1.008
+   745         H1     49    GLY    HA2    745     0.0698      1.008
+   746          C     49    GLY      C    746     0.5973      12.01
+   747          O     49    GLY      O    747    -0.5679         16   ; qtot 4
+; residue  50 SER rtp SER  q  0.0
+   748          N     50    SER      N    748    -0.4157      14.01
+   749          H     50    SER      H    749     0.2719      1.008
+   750         CT     50    SER     CA    750    -0.0249      12.01
+   751         H1     50    SER     HA    751     0.0843      1.008
+   752         CT     50    SER     CB    752     0.2117      12.01
+   753         H1     50    SER    HB1    753     0.0352      1.008
+   754         H1     50    SER    HB2    754     0.0352      1.008
+   755         OH     50    SER     OG    755    -0.6546         16
+   756         HO     50    SER     HG    756     0.4275      1.008
+   757          C     50    SER      C    757     0.5973      12.01
+   758          O     50    SER      O    758    -0.5679         16   ; qtot 4
+; residue  51 THR rtp THR  q  0.0
+   759          N     51    THR      N    759    -0.4157      14.01
+   760          H     51    THR      H    760     0.2719      1.008
+   761         CT     51    THR     CA    761    -0.0389      12.01
+   762         H1     51    THR     HA    762     0.1007      1.008
+   763         CT     51    THR     CB    763     0.3654      12.01
+   764         H1     51    THR     HB    764     0.0043      1.008
+   765         CT     51    THR    CG2    765    -0.2438      12.01
+   766         HC     51    THR   HG21    766     0.0642      1.008
+   767         HC     51    THR   HG22    767     0.0642      1.008
+   768         HC     51    THR   HG23    768     0.0642      1.008
+   769         OH     51    THR    OG1    769    -0.6761         16
+   770         HO     51    THR    HG1    770     0.4102      1.008
+   771          C     51    THR      C    771     0.5973      12.01
+   772          O     51    THR      O    772    -0.5679         16   ; qtot 4
+; residue  52 ASP rtp ASP  q -1.0
+   773          N     52    ASP      N    773    -0.5163      14.01
+   774          H     52    ASP      H    774     0.2936      1.008
+   775         CT     52    ASP     CA    775     0.0381      12.01
+   776         H1     52    ASP     HA    776      0.088      1.008
+   777         CT     52    ASP     CB    777    -0.0303      12.01
+   778         HC     52    ASP    HB1    778    -0.0122      1.008
+   779         HC     52    ASP    HB2    779    -0.0122      1.008
+   780          C     52    ASP     CG    780     0.7994      12.01
+   781         O2     52    ASP    OD1    781    -0.8014         16
+   782         O2     52    ASP    OD2    782    -0.8014         16
+   783          C     52    ASP      C    783     0.5366      12.01
+   784          O     52    ASP      O    784    -0.5819         16   ; qtot 3
+; residue  53 TYR rtp TYR  q  0.0
+   785          N     53    TYR      N    785    -0.4157      14.01
+   786          H     53    TYR      H    786     0.2719      1.008
+   787         CT     53    TYR     CA    787    -0.0014      12.01
+   788         H1     53    TYR     HA    788     0.0876      1.008
+   789         CT     53    TYR     CB    789    -0.0152      12.01
+   790         HC     53    TYR    HB1    790     0.0295      1.008
+   791         HC     53    TYR    HB2    791     0.0295      1.008
+   792         CA     53    TYR     CG    792    -0.0011      12.01
+   793         CA     53    TYR    CD1    793    -0.1906      12.01
+   794         HA     53    TYR    HD1    794     0.1699      1.008
+   795         CA     53    TYR    CE1    795    -0.2341      12.01
+   796         HA     53    TYR    HE1    796     0.1656      1.008
+   797          C     53    TYR     CZ    797     0.3226      12.01
+   798         OH     53    TYR     OH    798    -0.5579         16
+   799         HO     53    TYR     HH    799     0.3992      1.008
+   800         CA     53    TYR    CE2    800    -0.2341      12.01
+   801         HA     53    TYR    HE2    801     0.1656      1.008
+   802         CA     53    TYR    CD2    802    -0.1906      12.01
+   803         HA     53    TYR    HD2    803     0.1699      1.008
+   804          C     53    TYR      C    804     0.5973      12.01
+   805          O     53    TYR      O    805    -0.5679         16   ; qtot 3
+; residue  54 GLY rtp GLY  q  0.0
+   806          N     54    GLY      N    806    -0.4157      14.01
+   807          H     54    GLY      H    807     0.2719      1.008
+   808         CT     54    GLY     CA    808    -0.0252      12.01
+   809         H1     54    GLY    HA1    809     0.0698      1.008
+   810         H1     54    GLY    HA2    810     0.0698      1.008
+   811          C     54    GLY      C    811     0.5973      12.01
+   812          O     54    GLY      O    812    -0.5679         16   ; qtot 3
+; residue  55 ILE rtp ILE  q  0.0
+   813          N     55    ILE      N    813    -0.4157      14.01
+   814          H     55    ILE      H    814     0.2719      1.008
+   815         CT     55    ILE     CA    815    -0.0597      12.01
+   816         H1     55    ILE     HA    816     0.0869      1.008
+   817         CT     55    ILE     CB    817     0.1303      12.01
+   818         HC     55    ILE     HB    818     0.0187      1.008
+   819         CT     55    ILE    CG2    819    -0.3204      12.01
+   820         HC     55    ILE   HG21    820     0.0882      1.008
+   821         HC     55    ILE   HG22    821     0.0882      1.008
+   822         HC     55    ILE   HG23    822     0.0882      1.008
+   823         CT     55    ILE    CG1    823     -0.043      12.01
+   824         HC     55    ILE   HG11    824     0.0236      1.008
+   825         HC     55    ILE   HG12    825     0.0236      1.008
+   826         CT     55    ILE     CD    826     -0.066      12.01
+   827         HC     55    ILE    HD1    827     0.0186      1.008
+   828         HC     55    ILE    HD2    828     0.0186      1.008
+   829         HC     55    ILE    HD3    829     0.0186      1.008
+   830          C     55    ILE      C    830     0.5973      12.01
+   831          O     55    ILE      O    831    -0.5679         16   ; qtot 3
+; residue  56 LEU rtp LEU  q  0.0
+   832          N     56    LEU      N    832    -0.4157      14.01
+   833          H     56    LEU      H    833     0.2719      1.008
+   834         CT     56    LEU     CA    834    -0.0518      12.01
+   835         H1     56    LEU     HA    835     0.0922      1.008
+   836         CT     56    LEU     CB    836    -0.1102      12.01
+   837         HC     56    LEU    HB1    837     0.0457      1.008
+   838         HC     56    LEU    HB2    838     0.0457      1.008
+   839         CT     56    LEU     CG    839     0.3531      12.01
+   840         HC     56    LEU     HG    840    -0.0361      1.008
+   841         CT     56    LEU    CD1    841    -0.4121      12.01
+   842         HC     56    LEU   HD11    842        0.1      1.008
+   843         HC     56    LEU   HD12    843        0.1      1.008
+   844         HC     56    LEU   HD13    844        0.1      1.008
+   845         CT     56    LEU    CD2    845    -0.4121      12.01
+   846         HC     56    LEU   HD21    846        0.1      1.008
+   847         HC     56    LEU   HD22    847        0.1      1.008
+   848         HC     56    LEU   HD23    848        0.1      1.008
+   849          C     56    LEU      C    849     0.5973      12.01
+   850          O     56    LEU      O    850    -0.5679         16   ; qtot 3
+; residue  57 GLN rtp GLN  q  0.0
+   851          N     57    GLN      N    851    -0.4157      14.01
+   852          H     57    GLN      H    852     0.2719      1.008
+   853         CT     57    GLN     CA    853    -0.0031      12.01
+   854         H1     57    GLN     HA    854      0.085      1.008
+   855         CT     57    GLN     CB    855    -0.0036      12.01
+   856         HC     57    GLN    HB1    856     0.0171      1.008
+   857         HC     57    GLN    HB2    857     0.0171      1.008
+   858         CT     57    GLN     CG    858    -0.0645      12.01
+   859         HC     57    GLN    HG1    859     0.0352      1.008
+   860         HC     57    GLN    HG2    860     0.0352      1.008
+   861          C     57    GLN     CD    861     0.6951      12.01
+   862          O     57    GLN    OE1    862    -0.6086         16
+   863          N     57    GLN    NE2    863    -0.9407      14.01
+   864          H     57    GLN   HE21    864     0.4251      1.008
+   865          H     57    GLN   HE22    865     0.4251      1.008
+   866          C     57    GLN      C    866     0.5973      12.01
+   867          O     57    GLN      O    867    -0.5679         16   ; qtot 3
+; residue  58 ILE rtp ILE  q  0.0
+   868          N     58    ILE      N    868    -0.4157      14.01
+   869          H     58    ILE      H    869     0.2719      1.008
+   870         CT     58    ILE     CA    870    -0.0597      12.01
+   871         H1     58    ILE     HA    871     0.0869      1.008
+   872         CT     58    ILE     CB    872     0.1303      12.01
+   873         HC     58    ILE     HB    873     0.0187      1.008
+   874         CT     58    ILE    CG2    874    -0.3204      12.01
+   875         HC     58    ILE   HG21    875     0.0882      1.008
+   876         HC     58    ILE   HG22    876     0.0882      1.008
+   877         HC     58    ILE   HG23    877     0.0882      1.008
+   878         CT     58    ILE    CG1    878     -0.043      12.01
+   879         HC     58    ILE   HG11    879     0.0236      1.008
+   880         HC     58    ILE   HG12    880     0.0236      1.008
+   881         CT     58    ILE     CD    881     -0.066      12.01
+   882         HC     58    ILE    HD1    882     0.0186      1.008
+   883         HC     58    ILE    HD2    883     0.0186      1.008
+   884         HC     58    ILE    HD3    884     0.0186      1.008
+   885          C     58    ILE      C    885     0.5973      12.01
+   886          O     58    ILE      O    886    -0.5679         16   ; qtot 3
+; residue  59 ASN rtp ASN  q  0.0
+   887          N     59    ASN      N    887    -0.4157      14.01
+   888          H     59    ASN      H    888     0.2719      1.008
+   889         CT     59    ASN     CA    889     0.0143      12.01
+   890         H1     59    ASN     HA    890     0.1048      1.008
+   891         CT     59    ASN     CB    891    -0.2041      12.01
+   892         HC     59    ASN    HB1    892     0.0797      1.008
+   893         HC     59    ASN    HB2    893     0.0797      1.008
+   894          C     59    ASN     CG    894      0.713      12.01
+   895          O     59    ASN    OD1    895    -0.5931         16
+   896          N     59    ASN    ND2    896    -0.9191      14.01
+   897          H     59    ASN   HD21    897     0.4196      1.008
+   898          H     59    ASN   HD22    898     0.4196      1.008
+   899          C     59    ASN      C    899     0.5973      12.01
+   900          O     59    ASN      O    900    -0.5679         16   ; qtot 3
+; residue  60 SER rtp SER  q  0.0
+   901          N     60    SER      N    901    -0.4157      14.01
+   902          H     60    SER      H    902     0.2719      1.008
+   903         CT     60    SER     CA    903    -0.0249      12.01
+   904         H1     60    SER     HA    904     0.0843      1.008
+   905         CT     60    SER     CB    905     0.2117      12.01
+   906         H1     60    SER    HB1    906     0.0352      1.008
+   907         H1     60    SER    HB2    907     0.0352      1.008
+   908         OH     60    SER     OG    908    -0.6546         16
+   909         HO     60    SER     HG    909     0.4275      1.008
+   910          C     60    SER      C    910     0.5973      12.01
+   911          O     60    SER      O    911    -0.5679         16   ; qtot 3
+; residue  61 ARG rtp ARG  q +1.0
+   912          N     61    ARG      N    912    -0.3479      14.01
+   913          H     61    ARG      H    913     0.2747      1.008
+   914         CT     61    ARG     CA    914    -0.2637      12.01
+   915         H1     61    ARG     HA    915      0.156      1.008
+   916         CT     61    ARG     CB    916    -0.0007      12.01
+   917         HC     61    ARG    HB1    917     0.0327      1.008
+   918         HC     61    ARG    HB2    918     0.0327      1.008
+   919         CT     61    ARG     CG    919      0.039      12.01
+   920         HC     61    ARG    HG1    920     0.0285      1.008
+   921         HC     61    ARG    HG2    921     0.0285      1.008
+   922         CT     61    ARG     CD    922     0.0486      12.01
+   923         H1     61    ARG    HD1    923     0.0687      1.008
+   924         H1     61    ARG    HD2    924     0.0687      1.008
+   925         N2     61    ARG     NE    925    -0.5295      14.01
+   926          H     61    ARG     HE    926     0.3456      1.008
+   927         CA     61    ARG     CZ    927     0.8076      12.01
+   928         N2     61    ARG    NH1    928    -0.8627      14.01
+   929          H     61    ARG   HH11    929     0.4478      1.008
+   930          H     61    ARG   HH12    930     0.4478      1.008
+   931         N2     61    ARG    NH2    931    -0.8627      14.01
+   932          H     61    ARG   HH21    932     0.4478      1.008
+   933          H     61    ARG   HH22    933     0.4478      1.008
+   934          C     61    ARG      C    934     0.7341      12.01
+   935          O     61    ARG      O    935    -0.5894         16   ; qtot 4
+; residue  62 TRP rtp TRP  q  0.0
+   936          N     62    TRP      N    936    -0.4157      14.01
+   937          H     62    TRP      H    937     0.2719      1.008
+   938         CT     62    TRP     CA    938    -0.0275      12.01
+   939         H1     62    TRP     HA    939     0.1123      1.008
+   940         CT     62    TRP     CB    940     -0.005      12.01
+   941         HC     62    TRP    HB1    941     0.0339      1.008
+   942         HC     62    TRP    HB2    942     0.0339      1.008
+   943         C*     62    TRP     CG    943    -0.1415      12.01
+   944         CW     62    TRP    CD1    944    -0.1638      12.01
+   945         H4     62    TRP    HD1    945     0.2062      1.008
+   946         NA     62    TRP    NE1    946    -0.3418      14.01
+   947          H     62    TRP    HE1    947     0.3412      1.008
+   948         CN     62    TRP    CE2    948      0.138      12.01
+   949         CA     62    TRP    CZ2    949    -0.2601      12.01
+   950         HA     62    TRP    HZ2    950     0.1572      1.008
+   951         CA     62    TRP    CH2    951    -0.1134      12.01
+   952         HA     62    TRP    HH2    952     0.1417      1.008
+   953         CA     62    TRP    CZ3    953    -0.1972      12.01
+   954         HA     62    TRP    HZ3    954     0.1447      1.008
+   955         CA     62    TRP    CE3    955    -0.2387      12.01
+   956         HA     62    TRP    HE3    956       0.17      1.008
+   957         CB     62    TRP    CD2    957     0.1243      12.01
+   958          C     62    TRP      C    958     0.5973      12.01
+   959          O     62    TRP      O    959    -0.5679         16   ; qtot 4
+; residue  63 TRP rtp TRP  q  0.0
+   960          N     63    TRP      N    960    -0.4157      14.01
+   961          H     63    TRP      H    961     0.2719      1.008
+   962         CT     63    TRP     CA    962    -0.0275      12.01
+   963         H1     63    TRP     HA    963     0.1123      1.008
+   964         CT     63    TRP     CB    964     -0.005      12.01
+   965         HC     63    TRP    HB1    965     0.0339      1.008
+   966         HC     63    TRP    HB2    966     0.0339      1.008
+   967         C*     63    TRP     CG    967    -0.1415      12.01
+   968         CW     63    TRP    CD1    968    -0.1638      12.01
+   969         H4     63    TRP    HD1    969     0.2062      1.008
+   970         NA     63    TRP    NE1    970    -0.3418      14.01
+   971          H     63    TRP    HE1    971     0.3412      1.008
+   972         CN     63    TRP    CE2    972      0.138      12.01
+   973         CA     63    TRP    CZ2    973    -0.2601      12.01
+   974         HA     63    TRP    HZ2    974     0.1572      1.008
+   975         CA     63    TRP    CH2    975    -0.1134      12.01
+   976         HA     63    TRP    HH2    976     0.1417      1.008
+   977         CA     63    TRP    CZ3    977    -0.1972      12.01
+   978         HA     63    TRP    HZ3    978     0.1447      1.008
+   979         CA     63    TRP    CE3    979    -0.2387      12.01
+   980         HA     63    TRP    HE3    980       0.17      1.008
+   981         CB     63    TRP    CD2    981     0.1243      12.01
+   982          C     63    TRP      C    982     0.5973      12.01
+   983          O     63    TRP      O    983    -0.5679         16   ; qtot 4
+; residue  64 CYS rtp CYX  q  0.0
+   984          N     64    CYS      N    984    -0.4157      14.01
+   985          H     64    CYS      H    985     0.2719      1.008
+   986         CT     64    CYS     CA    986     0.0429      12.01
+   987         H1     64    CYS     HA    987     0.0766      1.008
+   988         CT     64    CYS     CB    988     -0.079      12.01
+   989         H1     64    CYS    HB1    989      0.091      1.008
+   990         H1     64    CYS    HB2    990      0.091      1.008
+   991          S     64    CYS     SG    991    -0.1081      32.06
+   992          C     64    CYS      C    992     0.5973      12.01
+   993          O     64    CYS      O    993    -0.5679         16   ; qtot 4
+; residue  65 ASN rtp ASN  q  0.0
+   994          N     65    ASN      N    994    -0.4157      14.01
+   995          H     65    ASN      H    995     0.2719      1.008
+   996         CT     65    ASN     CA    996     0.0143      12.01
+   997         H1     65    ASN     HA    997     0.1048      1.008
+   998         CT     65    ASN     CB    998    -0.2041      12.01
+   999         HC     65    ASN    HB1    999     0.0797      1.008
+  1000         HC     65    ASN    HB2   1000     0.0797      1.008
+  1001          C     65    ASN     CG   1001      0.713      12.01
+  1002          O     65    ASN    OD1   1002    -0.5931         16
+  1003          N     65    ASN    ND2   1003    -0.9191      14.01
+  1004          H     65    ASN   HD21   1004     0.4196      1.008
+  1005          H     65    ASN   HD22   1005     0.4196      1.008
+  1006          C     65    ASN      C   1006     0.5973      12.01
+  1007          O     65    ASN      O   1007    -0.5679         16   ; qtot 4
+; residue  66 ASP rtp ASP  q -1.0
+  1008          N     66    ASP      N   1008    -0.5163      14.01
+  1009          H     66    ASP      H   1009     0.2936      1.008
+  1010         CT     66    ASP     CA   1010     0.0381      12.01
+  1011         H1     66    ASP     HA   1011      0.088      1.008
+  1012         CT     66    ASP     CB   1012    -0.0303      12.01
+  1013         HC     66    ASP    HB1   1013    -0.0122      1.008
+  1014         HC     66    ASP    HB2   1014    -0.0122      1.008
+  1015          C     66    ASP     CG   1015     0.7994      12.01
+  1016         O2     66    ASP    OD1   1016    -0.8014         16
+  1017         O2     66    ASP    OD2   1017    -0.8014         16
+  1018          C     66    ASP      C   1018     0.5366      12.01
+  1019          O     66    ASP      O   1019    -0.5819         16   ; qtot 3
+; residue  67 GLY rtp GLY  q  0.0
+  1020          N     67    GLY      N   1020    -0.4157      14.01
+  1021          H     67    GLY      H   1021     0.2719      1.008
+  1022         CT     67    GLY     CA   1022    -0.0252      12.01
+  1023         H1     67    GLY    HA1   1023     0.0698      1.008
+  1024         H1     67    GLY    HA2   1024     0.0698      1.008
+  1025          C     67    GLY      C   1025     0.5973      12.01
+  1026          O     67    GLY      O   1026    -0.5679         16   ; qtot 3
+; residue  68 ARG rtp ARG  q +1.0
+  1027          N     68    ARG      N   1027    -0.3479      14.01
+  1028          H     68    ARG      H   1028     0.2747      1.008
+  1029         CT     68    ARG     CA   1029    -0.2637      12.01
+  1030         H1     68    ARG     HA   1030      0.156      1.008
+  1031         CT     68    ARG     CB   1031    -0.0007      12.01
+  1032         HC     68    ARG    HB1   1032     0.0327      1.008
+  1033         HC     68    ARG    HB2   1033     0.0327      1.008
+  1034         CT     68    ARG     CG   1034      0.039      12.01
+  1035         HC     68    ARG    HG1   1035     0.0285      1.008
+  1036         HC     68    ARG    HG2   1036     0.0285      1.008
+  1037         CT     68    ARG     CD   1037     0.0486      12.01
+  1038         H1     68    ARG    HD1   1038     0.0687      1.008
+  1039         H1     68    ARG    HD2   1039     0.0687      1.008
+  1040         N2     68    ARG     NE   1040    -0.5295      14.01
+  1041          H     68    ARG     HE   1041     0.3456      1.008
+  1042         CA     68    ARG     CZ   1042     0.8076      12.01
+  1043         N2     68    ARG    NH1   1043    -0.8627      14.01
+  1044          H     68    ARG   HH11   1044     0.4478      1.008
+  1045          H     68    ARG   HH12   1045     0.4478      1.008
+  1046         N2     68    ARG    NH2   1046    -0.8627      14.01
+  1047          H     68    ARG   HH21   1047     0.4478      1.008
+  1048          H     68    ARG   HH22   1048     0.4478      1.008
+  1049          C     68    ARG      C   1049     0.7341      12.01
+  1050          O     68    ARG      O   1050    -0.5894         16   ; qtot 4
+; residue  69 THR rtp THR  q  0.0
+  1051          N     69    THR      N   1051    -0.4157      14.01
+  1052          H     69    THR      H   1052     0.2719      1.008
+  1053         CT     69    THR     CA   1053    -0.0389      12.01
+  1054         H1     69    THR     HA   1054     0.1007      1.008
+  1055         CT     69    THR     CB   1055     0.3654      12.01
+  1056         H1     69    THR     HB   1056     0.0043      1.008
+  1057         CT     69    THR    CG2   1057    -0.2438      12.01
+  1058         HC     69    THR   HG21   1058     0.0642      1.008
+  1059         HC     69    THR   HG22   1059     0.0642      1.008
+  1060         HC     69    THR   HG23   1060     0.0642      1.008
+  1061         OH     69    THR    OG1   1061    -0.6761         16
+  1062         HO     69    THR    HG1   1062     0.4102      1.008
+  1063          C     69    THR      C   1063     0.5973      12.01
+  1064          O     69    THR      O   1064    -0.5679         16   ; qtot 4
+; residue  70 PRO rtp PRO  q  0.0
+  1065          N     70    PRO      N   1065    -0.2548      14.01
+  1066         CT     70    PRO     CD   1066     0.0192      12.01
+  1067         H1     70    PRO    HD1   1067     0.0391      1.008
+  1068         H1     70    PRO    HD2   1068     0.0391      1.008
+  1069         CT     70    PRO     CG   1069     0.0189      12.01
+  1070         HC     70    PRO    HG1   1070     0.0213      1.008
+  1071         HC     70    PRO    HG2   1071     0.0213      1.008
+  1072         CT     70    PRO     CB   1072     -0.007      12.01
+  1073         HC     70    PRO    HB1   1073     0.0253      1.008
+  1074         HC     70    PRO    HB2   1074     0.0253      1.008
+  1075         CT     70    PRO     CA   1075    -0.0266      12.01
+  1076         H1     70    PRO     HA   1076     0.0641      1.008
+  1077          C     70    PRO      C   1077     0.5896      12.01
+  1078          O     70    PRO      O   1078    -0.5748         16   ; qtot 4
+; residue  71 GLY rtp GLY  q  0.0
+  1079          N     71    GLY      N   1079    -0.4157      14.01
+  1080          H     71    GLY      H   1080     0.2719      1.008
+  1081         CT     71    GLY     CA   1081    -0.0252      12.01
+  1082         H1     71    GLY    HA1   1082     0.0698      1.008
+  1083         H1     71    GLY    HA2   1083     0.0698      1.008
+  1084          C     71    GLY      C   1084     0.5973      12.01
+  1085          O     71    GLY      O   1085    -0.5679         16   ; qtot 4
+; residue  72 SER rtp SER  q  0.0
+  1086          N     72    SER      N   1086    -0.4157      14.01
+  1087          H     72    SER      H   1087     0.2719      1.008
+  1088         CT     72    SER     CA   1088    -0.0249      12.01
+  1089         H1     72    SER     HA   1089     0.0843      1.008
+  1090         CT     72    SER     CB   1090     0.2117      12.01
+  1091         H1     72    SER    HB1   1091     0.0352      1.008
+  1092         H1     72    SER    HB2   1092     0.0352      1.008
+  1093         OH     72    SER     OG   1093    -0.6546         16
+  1094         HO     72    SER     HG   1094     0.4275      1.008
+  1095          C     72    SER      C   1095     0.5973      12.01
+  1096          O     72    SER      O   1096    -0.5679         16   ; qtot 4
+; residue  73 ARG rtp ARG  q +1.0
+  1097          N     73    ARG      N   1097    -0.3479      14.01
+  1098          H     73    ARG      H   1098     0.2747      1.008
+  1099         CT     73    ARG     CA   1099    -0.2637      12.01
+  1100         H1     73    ARG     HA   1100      0.156      1.008
+  1101         CT     73    ARG     CB   1101    -0.0007      12.01
+  1102         HC     73    ARG    HB1   1102     0.0327      1.008
+  1103         HC     73    ARG    HB2   1103     0.0327      1.008
+  1104         CT     73    ARG     CG   1104      0.039      12.01
+  1105         HC     73    ARG    HG1   1105     0.0285      1.008
+  1106         HC     73    ARG    HG2   1106     0.0285      1.008
+  1107         CT     73    ARG     CD   1107     0.0486      12.01
+  1108         H1     73    ARG    HD1   1108     0.0687      1.008
+  1109         H1     73    ARG    HD2   1109     0.0687      1.008
+  1110         N2     73    ARG     NE   1110    -0.5295      14.01
+  1111          H     73    ARG     HE   1111     0.3456      1.008
+  1112         CA     73    ARG     CZ   1112     0.8076      12.01
+  1113         N2     73    ARG    NH1   1113    -0.8627      14.01
+  1114          H     73    ARG   HH11   1114     0.4478      1.008
+  1115          H     73    ARG   HH12   1115     0.4478      1.008
+  1116         N2     73    ARG    NH2   1116    -0.8627      14.01
+  1117          H     73    ARG   HH21   1117     0.4478      1.008
+  1118          H     73    ARG   HH22   1118     0.4478      1.008
+  1119          C     73    ARG      C   1119     0.7341      12.01
+  1120          O     73    ARG      O   1120    -0.5894         16   ; qtot 5
+; residue  74 ASN rtp ASN  q  0.0
+  1121          N     74    ASN      N   1121    -0.4157      14.01
+  1122          H     74    ASN      H   1122     0.2719      1.008
+  1123         CT     74    ASN     CA   1123     0.0143      12.01
+  1124         H1     74    ASN     HA   1124     0.1048      1.008
+  1125         CT     74    ASN     CB   1125    -0.2041      12.01
+  1126         HC     74    ASN    HB1   1126     0.0797      1.008
+  1127         HC     74    ASN    HB2   1127     0.0797      1.008
+  1128          C     74    ASN     CG   1128      0.713      12.01
+  1129          O     74    ASN    OD1   1129    -0.5931         16
+  1130          N     74    ASN    ND2   1130    -0.9191      14.01
+  1131          H     74    ASN   HD21   1131     0.4196      1.008
+  1132          H     74    ASN   HD22   1132     0.4196      1.008
+  1133          C     74    ASN      C   1133     0.5973      12.01
+  1134          O     74    ASN      O   1134    -0.5679         16   ; qtot 5
+; residue  75 LEU rtp LEU  q  0.0
+  1135          N     75    LEU      N   1135    -0.4157      14.01
+  1136          H     75    LEU      H   1136     0.2719      1.008
+  1137         CT     75    LEU     CA   1137    -0.0518      12.01
+  1138         H1     75    LEU     HA   1138     0.0922      1.008
+  1139         CT     75    LEU     CB   1139    -0.1102      12.01
+  1140         HC     75    LEU    HB1   1140     0.0457      1.008
+  1141         HC     75    LEU    HB2   1141     0.0457      1.008
+  1142         CT     75    LEU     CG   1142     0.3531      12.01
+  1143         HC     75    LEU     HG   1143    -0.0361      1.008
+  1144         CT     75    LEU    CD1   1144    -0.4121      12.01
+  1145         HC     75    LEU   HD11   1145        0.1      1.008
+  1146         HC     75    LEU   HD12   1146        0.1      1.008
+  1147         HC     75    LEU   HD13   1147        0.1      1.008
+  1148         CT     75    LEU    CD2   1148    -0.4121      12.01
+  1149         HC     75    LEU   HD21   1149        0.1      1.008
+  1150         HC     75    LEU   HD22   1150        0.1      1.008
+  1151         HC     75    LEU   HD23   1151        0.1      1.008
+  1152          C     75    LEU      C   1152     0.5973      12.01
+  1153          O     75    LEU      O   1153    -0.5679         16   ; qtot 5
+; residue  76 CYS rtp CYX  q  0.0
+  1154          N     76    CYS      N   1154    -0.4157      14.01
+  1155          H     76    CYS      H   1155     0.2719      1.008
+  1156         CT     76    CYS     CA   1156     0.0429      12.01
+  1157         H1     76    CYS     HA   1157     0.0766      1.008
+  1158         CT     76    CYS     CB   1158     -0.079      12.01
+  1159         H1     76    CYS    HB1   1159      0.091      1.008
+  1160         H1     76    CYS    HB2   1160      0.091      1.008
+  1161          S     76    CYS     SG   1161    -0.1081      32.06
+  1162          C     76    CYS      C   1162     0.5973      12.01
+  1163          O     76    CYS      O   1163    -0.5679         16   ; qtot 5
+; residue  77 ASN rtp ASN  q  0.0
+  1164          N     77    ASN      N   1164    -0.4157      14.01
+  1165          H     77    ASN      H   1165     0.2719      1.008
+  1166         CT     77    ASN     CA   1166     0.0143      12.01
+  1167         H1     77    ASN     HA   1167     0.1048      1.008
+  1168         CT     77    ASN     CB   1168    -0.2041      12.01
+  1169         HC     77    ASN    HB1   1169     0.0797      1.008
+  1170         HC     77    ASN    HB2   1170     0.0797      1.008
+  1171          C     77    ASN     CG   1171      0.713      12.01
+  1172          O     77    ASN    OD1   1172    -0.5931         16
+  1173          N     77    ASN    ND2   1173    -0.9191      14.01
+  1174          H     77    ASN   HD21   1174     0.4196      1.008
+  1175          H     77    ASN   HD22   1175     0.4196      1.008
+  1176          C     77    ASN      C   1176     0.5973      12.01
+  1177          O     77    ASN      O   1177    -0.5679         16   ; qtot 5
+; residue  78 ILE rtp ILE  q  0.0
+  1178          N     78    ILE      N   1178    -0.4157      14.01
+  1179          H     78    ILE      H   1179     0.2719      1.008
+  1180         CT     78    ILE     CA   1180    -0.0597      12.01
+  1181         H1     78    ILE     HA   1181     0.0869      1.008
+  1182         CT     78    ILE     CB   1182     0.1303      12.01
+  1183         HC     78    ILE     HB   1183     0.0187      1.008
+  1184         CT     78    ILE    CG2   1184    -0.3204      12.01
+  1185         HC     78    ILE   HG21   1185     0.0882      1.008
+  1186         HC     78    ILE   HG22   1186     0.0882      1.008
+  1187         HC     78    ILE   HG23   1187     0.0882      1.008
+  1188         CT     78    ILE    CG1   1188     -0.043      12.01
+  1189         HC     78    ILE   HG11   1189     0.0236      1.008
+  1190         HC     78    ILE   HG12   1190     0.0236      1.008
+  1191         CT     78    ILE     CD   1191     -0.066      12.01
+  1192         HC     78    ILE    HD1   1192     0.0186      1.008
+  1193         HC     78    ILE    HD2   1193     0.0186      1.008
+  1194         HC     78    ILE    HD3   1194     0.0186      1.008
+  1195          C     78    ILE      C   1195     0.5973      12.01
+  1196          O     78    ILE      O   1196    -0.5679         16   ; qtot 5
+; residue  79 PRO rtp PRO  q  0.0
+  1197          N     79    PRO      N   1197    -0.2548      14.01
+  1198         CT     79    PRO     CD   1198     0.0192      12.01
+  1199         H1     79    PRO    HD1   1199     0.0391      1.008
+  1200         H1     79    PRO    HD2   1200     0.0391      1.008
+  1201         CT     79    PRO     CG   1201     0.0189      12.01
+  1202         HC     79    PRO    HG1   1202     0.0213      1.008
+  1203         HC     79    PRO    HG2   1203     0.0213      1.008
+  1204         CT     79    PRO     CB   1204     -0.007      12.01
+  1205         HC     79    PRO    HB1   1205     0.0253      1.008
+  1206         HC     79    PRO    HB2   1206     0.0253      1.008
+  1207         CT     79    PRO     CA   1207    -0.0266      12.01
+  1208         H1     79    PRO     HA   1208     0.0641      1.008
+  1209          C     79    PRO      C   1209     0.5896      12.01
+  1210          O     79    PRO      O   1210    -0.5748         16   ; qtot 5
+; residue  80 CYS rtp CYX  q  0.0
+  1211          N     80    CYS      N   1211    -0.4157      14.01
+  1212          H     80    CYS      H   1212     0.2719      1.008
+  1213         CT     80    CYS     CA   1213     0.0429      12.01
+  1214         H1     80    CYS     HA   1214     0.0766      1.008
+  1215         CT     80    CYS     CB   1215     -0.079      12.01
+  1216         H1     80    CYS    HB1   1216      0.091      1.008
+  1217         H1     80    CYS    HB2   1217      0.091      1.008
+  1218          S     80    CYS     SG   1218    -0.1081      32.06
+  1219          C     80    CYS      C   1219     0.5973      12.01
+  1220          O     80    CYS      O   1220    -0.5679         16   ; qtot 5
+; residue  81 SER rtp SER  q  0.0
+  1221          N     81    SER      N   1221    -0.4157      14.01
+  1222          H     81    SER      H   1222     0.2719      1.008
+  1223         CT     81    SER     CA   1223    -0.0249      12.01
+  1224         H1     81    SER     HA   1224     0.0843      1.008
+  1225         CT     81    SER     CB   1225     0.2117      12.01
+  1226         H1     81    SER    HB1   1226     0.0352      1.008
+  1227         H1     81    SER    HB2   1227     0.0352      1.008
+  1228         OH     81    SER     OG   1228    -0.6546         16
+  1229         HO     81    SER     HG   1229     0.4275      1.008
+  1230          C     81    SER      C   1230     0.5973      12.01
+  1231          O     81    SER      O   1231    -0.5679         16   ; qtot 5
+; residue  82 ALA rtp ALA  q  0.0
+  1232          N     82    ALA      N   1232    -0.4157      14.01
+  1233          H     82    ALA      H   1233     0.2719      1.008
+  1234         CT     82    ALA     CA   1234     0.0337      12.01
+  1235         H1     82    ALA     HA   1235     0.0823      1.008
+  1236         CT     82    ALA     CB   1236    -0.1825      12.01
+  1237         HC     82    ALA    HB1   1237     0.0603      1.008
+  1238         HC     82    ALA    HB2   1238     0.0603      1.008
+  1239         HC     82    ALA    HB3   1239     0.0603      1.008
+  1240          C     82    ALA      C   1240     0.5973      12.01
+  1241          O     82    ALA      O   1241    -0.5679         16   ; qtot 5
+; residue  83 LEU rtp LEU  q  0.0
+  1242          N     83    LEU      N   1242    -0.4157      14.01
+  1243          H     83    LEU      H   1243     0.2719      1.008
+  1244         CT     83    LEU     CA   1244    -0.0518      12.01
+  1245         H1     83    LEU     HA   1245     0.0922      1.008
+  1246         CT     83    LEU     CB   1246    -0.1102      12.01
+  1247         HC     83    LEU    HB1   1247     0.0457      1.008
+  1248         HC     83    LEU    HB2   1248     0.0457      1.008
+  1249         CT     83    LEU     CG   1249     0.3531      12.01
+  1250         HC     83    LEU     HG   1250    -0.0361      1.008
+  1251         CT     83    LEU    CD1   1251    -0.4121      12.01
+  1252         HC     83    LEU   HD11   1252        0.1      1.008
+  1253         HC     83    LEU   HD12   1253        0.1      1.008
+  1254         HC     83    LEU   HD13   1254        0.1      1.008
+  1255         CT     83    LEU    CD2   1255    -0.4121      12.01
+  1256         HC     83    LEU   HD21   1256        0.1      1.008
+  1257         HC     83    LEU   HD22   1257        0.1      1.008
+  1258         HC     83    LEU   HD23   1258        0.1      1.008
+  1259          C     83    LEU      C   1259     0.5973      12.01
+  1260          O     83    LEU      O   1260    -0.5679         16   ; qtot 5
+; residue  84 LEU rtp LEU  q  0.0
+  1261          N     84    LEU      N   1261    -0.4157      14.01
+  1262          H     84    LEU      H   1262     0.2719      1.008
+  1263         CT     84    LEU     CA   1263    -0.0518      12.01
+  1264         H1     84    LEU     HA   1264     0.0922      1.008
+  1265         CT     84    LEU     CB   1265    -0.1102      12.01
+  1266         HC     84    LEU    HB1   1266     0.0457      1.008
+  1267         HC     84    LEU    HB2   1267     0.0457      1.008
+  1268         CT     84    LEU     CG   1268     0.3531      12.01
+  1269         HC     84    LEU     HG   1269    -0.0361      1.008
+  1270         CT     84    LEU    CD1   1270    -0.4121      12.01
+  1271         HC     84    LEU   HD11   1271        0.1      1.008
+  1272         HC     84    LEU   HD12   1272        0.1      1.008
+  1273         HC     84    LEU   HD13   1273        0.1      1.008
+  1274         CT     84    LEU    CD2   1274    -0.4121      12.01
+  1275         HC     84    LEU   HD21   1275        0.1      1.008
+  1276         HC     84    LEU   HD22   1276        0.1      1.008
+  1277         HC     84    LEU   HD23   1277        0.1      1.008
+  1278          C     84    LEU      C   1278     0.5973      12.01
+  1279          O     84    LEU      O   1279    -0.5679         16   ; qtot 5
+; residue  85 SER rtp SER  q  0.0
+  1280          N     85    SER      N   1280    -0.4157      14.01
+  1281          H     85    SER      H   1281     0.2719      1.008
+  1282         CT     85    SER     CA   1282    -0.0249      12.01
+  1283         H1     85    SER     HA   1283     0.0843      1.008
+  1284         CT     85    SER     CB   1284     0.2117      12.01
+  1285         H1     85    SER    HB1   1285     0.0352      1.008
+  1286         H1     85    SER    HB2   1286     0.0352      1.008
+  1287         OH     85    SER     OG   1287    -0.6546         16
+  1288         HO     85    SER     HG   1288     0.4275      1.008
+  1289          C     85    SER      C   1289     0.5973      12.01
+  1290          O     85    SER      O   1290    -0.5679         16   ; qtot 5
+; residue  86 SER rtp SER  q  0.0
+  1291          N     86    SER      N   1291    -0.4157      14.01
+  1292          H     86    SER      H   1292     0.2719      1.008
+  1293         CT     86    SER     CA   1293    -0.0249      12.01
+  1294         H1     86    SER     HA   1294     0.0843      1.008
+  1295         CT     86    SER     CB   1295     0.2117      12.01
+  1296         H1     86    SER    HB1   1296     0.0352      1.008
+  1297         H1     86    SER    HB2   1297     0.0352      1.008
+  1298         OH     86    SER     OG   1298    -0.6546         16
+  1299         HO     86    SER     HG   1299     0.4275      1.008
+  1300          C     86    SER      C   1300     0.5973      12.01
+  1301          O     86    SER      O   1301    -0.5679         16   ; qtot 5
+; residue  87 ASP rtp ASP  q -1.0
+  1302          N     87    ASP      N   1302    -0.5163      14.01
+  1303          H     87    ASP      H   1303     0.2936      1.008
+  1304         CT     87    ASP     CA   1304     0.0381      12.01
+  1305         H1     87    ASP     HA   1305      0.088      1.008
+  1306         CT     87    ASP     CB   1306    -0.0303      12.01
+  1307         HC     87    ASP    HB1   1307    -0.0122      1.008
+  1308         HC     87    ASP    HB2   1308    -0.0122      1.008
+  1309          C     87    ASP     CG   1309     0.7994      12.01
+  1310         O2     87    ASP    OD1   1310    -0.8014         16
+  1311         O2     87    ASP    OD2   1311    -0.8014         16
+  1312          C     87    ASP      C   1312     0.5366      12.01
+  1313          O     87    ASP      O   1313    -0.5819         16   ; qtot 4
+; residue  88 ILE rtp ILE  q  0.0
+  1314          N     88    ILE      N   1314    -0.4157      14.01
+  1315          H     88    ILE      H   1315     0.2719      1.008
+  1316         CT     88    ILE     CA   1316    -0.0597      12.01
+  1317         H1     88    ILE     HA   1317     0.0869      1.008
+  1318         CT     88    ILE     CB   1318     0.1303      12.01
+  1319         HC     88    ILE     HB   1319     0.0187      1.008
+  1320         CT     88    ILE    CG2   1320    -0.3204      12.01
+  1321         HC     88    ILE   HG21   1321     0.0882      1.008
+  1322         HC     88    ILE   HG22   1322     0.0882      1.008
+  1323         HC     88    ILE   HG23   1323     0.0882      1.008
+  1324         CT     88    ILE    CG1   1324     -0.043      12.01
+  1325         HC     88    ILE   HG11   1325     0.0236      1.008
+  1326         HC     88    ILE   HG12   1326     0.0236      1.008
+  1327         CT     88    ILE     CD   1327     -0.066      12.01
+  1328         HC     88    ILE    HD1   1328     0.0186      1.008
+  1329         HC     88    ILE    HD2   1329     0.0186      1.008
+  1330         HC     88    ILE    HD3   1330     0.0186      1.008
+  1331          C     88    ILE      C   1331     0.5973      12.01
+  1332          O     88    ILE      O   1332    -0.5679         16   ; qtot 4
+; residue  89 THR rtp THR  q  0.0
+  1333          N     89    THR      N   1333    -0.4157      14.01
+  1334          H     89    THR      H   1334     0.2719      1.008
+  1335         CT     89    THR     CA   1335    -0.0389      12.01
+  1336         H1     89    THR     HA   1336     0.1007      1.008
+  1337         CT     89    THR     CB   1337     0.3654      12.01
+  1338         H1     89    THR     HB   1338     0.0043      1.008
+  1339         CT     89    THR    CG2   1339    -0.2438      12.01
+  1340         HC     89    THR   HG21   1340     0.0642      1.008
+  1341         HC     89    THR   HG22   1341     0.0642      1.008
+  1342         HC     89    THR   HG23   1342     0.0642      1.008
+  1343         OH     89    THR    OG1   1343    -0.6761         16
+  1344         HO     89    THR    HG1   1344     0.4102      1.008
+  1345          C     89    THR      C   1345     0.5973      12.01
+  1346          O     89    THR      O   1346    -0.5679         16   ; qtot 4
+; residue  90 ALA rtp ALA  q  0.0
+  1347          N     90    ALA      N   1347    -0.4157      14.01
+  1348          H     90    ALA      H   1348     0.2719      1.008
+  1349         CT     90    ALA     CA   1349     0.0337      12.01
+  1350         H1     90    ALA     HA   1350     0.0823      1.008
+  1351         CT     90    ALA     CB   1351    -0.1825      12.01
+  1352         HC     90    ALA    HB1   1352     0.0603      1.008
+  1353         HC     90    ALA    HB2   1353     0.0603      1.008
+  1354         HC     90    ALA    HB3   1354     0.0603      1.008
+  1355          C     90    ALA      C   1355     0.5973      12.01
+  1356          O     90    ALA      O   1356    -0.5679         16   ; qtot 4
+; residue  91 SER rtp SER  q  0.0
+  1357          N     91    SER      N   1357    -0.4157      14.01
+  1358          H     91    SER      H   1358     0.2719      1.008
+  1359         CT     91    SER     CA   1359    -0.0249      12.01
+  1360         H1     91    SER     HA   1360     0.0843      1.008
+  1361         CT     91    SER     CB   1361     0.2117      12.01
+  1362         H1     91    SER    HB1   1362     0.0352      1.008
+  1363         H1     91    SER    HB2   1363     0.0352      1.008
+  1364         OH     91    SER     OG   1364    -0.6546         16
+  1365         HO     91    SER     HG   1365     0.4275      1.008
+  1366          C     91    SER      C   1366     0.5973      12.01
+  1367          O     91    SER      O   1367    -0.5679         16   ; qtot 4
+; residue  92 VAL rtp VAL  q  0.0
+  1368          N     92    VAL      N   1368    -0.4157      14.01
+  1369          H     92    VAL      H   1369     0.2719      1.008
+  1370         CT     92    VAL     CA   1370    -0.0875      12.01
+  1371         H1     92    VAL     HA   1371     0.0969      1.008
+  1372         CT     92    VAL     CB   1372     0.2985      12.01
+  1373         HC     92    VAL     HB   1373    -0.0297      1.008
+  1374         CT     92    VAL    CG1   1374    -0.3192      12.01
+  1375         HC     92    VAL   HG11   1375     0.0791      1.008
+  1376         HC     92    VAL   HG12   1376     0.0791      1.008
+  1377         HC     92    VAL   HG13   1377     0.0791      1.008
+  1378         CT     92    VAL    CG2   1378    -0.3192      12.01
+  1379         HC     92    VAL   HG21   1379     0.0791      1.008
+  1380         HC     92    VAL   HG22   1380     0.0791      1.008
+  1381         HC     92    VAL   HG23   1381     0.0791      1.008
+  1382          C     92    VAL      C   1382     0.5973      12.01
+  1383          O     92    VAL      O   1383    -0.5679         16   ; qtot 4
+; residue  93 ASN rtp ASN  q  0.0
+  1384          N     93    ASN      N   1384    -0.4157      14.01
+  1385          H     93    ASN      H   1385     0.2719      1.008
+  1386         CT     93    ASN     CA   1386     0.0143      12.01
+  1387         H1     93    ASN     HA   1387     0.1048      1.008
+  1388         CT     93    ASN     CB   1388    -0.2041      12.01
+  1389         HC     93    ASN    HB1   1389     0.0797      1.008
+  1390         HC     93    ASN    HB2   1390     0.0797      1.008
+  1391          C     93    ASN     CG   1391      0.713      12.01
+  1392          O     93    ASN    OD1   1392    -0.5931         16
+  1393          N     93    ASN    ND2   1393    -0.9191      14.01
+  1394          H     93    ASN   HD21   1394     0.4196      1.008
+  1395          H     93    ASN   HD22   1395     0.4196      1.008
+  1396          C     93    ASN      C   1396     0.5973      12.01
+  1397          O     93    ASN      O   1397    -0.5679         16   ; qtot 4
+; residue  94 CYS rtp CYX  q  0.0
+  1398          N     94    CYS      N   1398    -0.4157      14.01
+  1399          H     94    CYS      H   1399     0.2719      1.008
+  1400         CT     94    CYS     CA   1400     0.0429      12.01
+  1401         H1     94    CYS     HA   1401     0.0766      1.008
+  1402         CT     94    CYS     CB   1402     -0.079      12.01
+  1403         H1     94    CYS    HB1   1403      0.091      1.008
+  1404         H1     94    CYS    HB2   1404      0.091      1.008
+  1405          S     94    CYS     SG   1405    -0.1081      32.06
+  1406          C     94    CYS      C   1406     0.5973      12.01
+  1407          O     94    CYS      O   1407    -0.5679         16   ; qtot 4
+; residue  95 ALA rtp ALA  q  0.0
+  1408          N     95    ALA      N   1408    -0.4157      14.01
+  1409          H     95    ALA      H   1409     0.2719      1.008
+  1410         CT     95    ALA     CA   1410     0.0337      12.01
+  1411         H1     95    ALA     HA   1411     0.0823      1.008
+  1412         CT     95    ALA     CB   1412    -0.1825      12.01
+  1413         HC     95    ALA    HB1   1413     0.0603      1.008
+  1414         HC     95    ALA    HB2   1414     0.0603      1.008
+  1415         HC     95    ALA    HB3   1415     0.0603      1.008
+  1416          C     95    ALA      C   1416     0.5973      12.01
+  1417          O     95    ALA      O   1417    -0.5679         16   ; qtot 4
+; residue  96 LYS rtp LYS  q +1.0
+  1418          N     96    LYS      N   1418    -0.3479      14.01
+  1419          H     96    LYS      H   1419     0.2747      1.008
+  1420         CT     96    LYS     CA   1420      -0.24      12.01
+  1421         H1     96    LYS     HA   1421     0.1426      1.008
+  1422         CT     96    LYS     CB   1422    -0.0094      12.01
+  1423         HC     96    LYS    HB1   1423     0.0362      1.008
+  1424         HC     96    LYS    HB2   1424     0.0362      1.008
+  1425         CT     96    LYS     CG   1425     0.0187      12.01
+  1426         HC     96    LYS    HG1   1426     0.0103      1.008
+  1427         HC     96    LYS    HG2   1427     0.0103      1.008
+  1428         CT     96    LYS     CD   1428    -0.0479      12.01
+  1429         HC     96    LYS    HD1   1429     0.0621      1.008
+  1430         HC     96    LYS    HD2   1430     0.0621      1.008
+  1431         CT     96    LYS     CE   1431    -0.0143      12.01
+  1432         HP     96    LYS    HE1   1432     0.1135      1.008
+  1433         HP     96    LYS    HE2   1433     0.1135      1.008
+  1434         N3     96    LYS     NZ   1434    -0.3854      14.01
+  1435          H     96    LYS    HZ1   1435       0.34      1.008
+  1436          H     96    LYS    HZ2   1436       0.34      1.008
+  1437          H     96    LYS    HZ3   1437       0.34      1.008
+  1438          C     96    LYS      C   1438     0.7341      12.01
+  1439          O     96    LYS      O   1439    -0.5894         16   ; qtot 5
+; residue  97 LYS rtp LYS  q +1.0
+  1440          N     97    LYS      N   1440    -0.3479      14.01
+  1441          H     97    LYS      H   1441     0.2747      1.008
+  1442         CT     97    LYS     CA   1442      -0.24      12.01
+  1443         H1     97    LYS     HA   1443     0.1426      1.008
+  1444         CT     97    LYS     CB   1444    -0.0094      12.01
+  1445         HC     97    LYS    HB1   1445     0.0362      1.008
+  1446         HC     97    LYS    HB2   1446     0.0362      1.008
+  1447         CT     97    LYS     CG   1447     0.0187      12.01
+  1448         HC     97    LYS    HG1   1448     0.0103      1.008
+  1449         HC     97    LYS    HG2   1449     0.0103      1.008
+  1450         CT     97    LYS     CD   1450    -0.0479      12.01
+  1451         HC     97    LYS    HD1   1451     0.0621      1.008
+  1452         HC     97    LYS    HD2   1452     0.0621      1.008
+  1453         CT     97    LYS     CE   1453    -0.0143      12.01
+  1454         HP     97    LYS    HE1   1454     0.1135      1.008
+  1455         HP     97    LYS    HE2   1455     0.1135      1.008
+  1456         N3     97    LYS     NZ   1456    -0.3854      14.01
+  1457          H     97    LYS    HZ1   1457       0.34      1.008
+  1458          H     97    LYS    HZ2   1458       0.34      1.008
+  1459          H     97    LYS    HZ3   1459       0.34      1.008
+  1460          C     97    LYS      C   1460     0.7341      12.01
+  1461          O     97    LYS      O   1461    -0.5894         16   ; qtot 6
+; residue  98 ILE rtp ILE  q  0.0
+  1462          N     98    ILE      N   1462    -0.4157      14.01
+  1463          H     98    ILE      H   1463     0.2719      1.008
+  1464         CT     98    ILE     CA   1464    -0.0597      12.01
+  1465         H1     98    ILE     HA   1465     0.0869      1.008
+  1466         CT     98    ILE     CB   1466     0.1303      12.01
+  1467         HC     98    ILE     HB   1467     0.0187      1.008
+  1468         CT     98    ILE    CG2   1468    -0.3204      12.01
+  1469         HC     98    ILE   HG21   1469     0.0882      1.008
+  1470         HC     98    ILE   HG22   1470     0.0882      1.008
+  1471         HC     98    ILE   HG23   1471     0.0882      1.008
+  1472         CT     98    ILE    CG1   1472     -0.043      12.01
+  1473         HC     98    ILE   HG11   1473     0.0236      1.008
+  1474         HC     98    ILE   HG12   1474     0.0236      1.008
+  1475         CT     98    ILE     CD   1475     -0.066      12.01
+  1476         HC     98    ILE    HD1   1476     0.0186      1.008
+  1477         HC     98    ILE    HD2   1477     0.0186      1.008
+  1478         HC     98    ILE    HD3   1478     0.0186      1.008
+  1479          C     98    ILE      C   1479     0.5973      12.01
+  1480          O     98    ILE      O   1480    -0.5679         16   ; qtot 6
+; residue  99 VAL rtp VAL  q  0.0
+  1481          N     99    VAL      N   1481    -0.4157      14.01
+  1482          H     99    VAL      H   1482     0.2719      1.008
+  1483         CT     99    VAL     CA   1483    -0.0875      12.01
+  1484         H1     99    VAL     HA   1484     0.0969      1.008
+  1485         CT     99    VAL     CB   1485     0.2985      12.01
+  1486         HC     99    VAL     HB   1486    -0.0297      1.008
+  1487         CT     99    VAL    CG1   1487    -0.3192      12.01
+  1488         HC     99    VAL   HG11   1488     0.0791      1.008
+  1489         HC     99    VAL   HG12   1489     0.0791      1.008
+  1490         HC     99    VAL   HG13   1490     0.0791      1.008
+  1491         CT     99    VAL    CG2   1491    -0.3192      12.01
+  1492         HC     99    VAL   HG21   1492     0.0791      1.008
+  1493         HC     99    VAL   HG22   1493     0.0791      1.008
+  1494         HC     99    VAL   HG23   1494     0.0791      1.008
+  1495          C     99    VAL      C   1495     0.5973      12.01
+  1496          O     99    VAL      O   1496    -0.5679         16   ; qtot 6
+; residue 100 SER rtp SER  q  0.0
+  1497          N    100    SER      N   1497    -0.4157      14.01
+  1498          H    100    SER      H   1498     0.2719      1.008
+  1499         CT    100    SER     CA   1499    -0.0249      12.01
+  1500         H1    100    SER     HA   1500     0.0843      1.008
+  1501         CT    100    SER     CB   1501     0.2117      12.01
+  1502         H1    100    SER    HB1   1502     0.0352      1.008
+  1503         H1    100    SER    HB2   1503     0.0352      1.008
+  1504         OH    100    SER     OG   1504    -0.6546         16
+  1505         HO    100    SER     HG   1505     0.4275      1.008
+  1506          C    100    SER      C   1506     0.5973      12.01
+  1507          O    100    SER      O   1507    -0.5679         16   ; qtot 6
+; residue 101 ASP rtp ASP  q -1.0
+  1508          N    101    ASP      N   1508    -0.5163      14.01
+  1509          H    101    ASP      H   1509     0.2936      1.008
+  1510         CT    101    ASP     CA   1510     0.0381      12.01
+  1511         H1    101    ASP     HA   1511      0.088      1.008
+  1512         CT    101    ASP     CB   1512    -0.0303      12.01
+  1513         HC    101    ASP    HB1   1513    -0.0122      1.008
+  1514         HC    101    ASP    HB2   1514    -0.0122      1.008
+  1515          C    101    ASP     CG   1515     0.7994      12.01
+  1516         O2    101    ASP    OD1   1516    -0.8014         16
+  1517         O2    101    ASP    OD2   1517    -0.8014         16
+  1518          C    101    ASP      C   1518     0.5366      12.01
+  1519          O    101    ASP      O   1519    -0.5819         16   ; qtot 5
+; residue 102 GLY rtp GLY  q  0.0
+  1520          N    102    GLY      N   1520    -0.4157      14.01
+  1521          H    102    GLY      H   1521     0.2719      1.008
+  1522         CT    102    GLY     CA   1522    -0.0252      12.01
+  1523         H1    102    GLY    HA1   1523     0.0698      1.008
+  1524         H1    102    GLY    HA2   1524     0.0698      1.008
+  1525          C    102    GLY      C   1525     0.5973      12.01
+  1526          O    102    GLY      O   1526    -0.5679         16   ; qtot 5
+; residue 103 ASN rtp ASN  q  0.0
+  1527          N    103    ASN      N   1527    -0.4157      14.01
+  1528          H    103    ASN      H   1528     0.2719      1.008
+  1529         CT    103    ASN     CA   1529     0.0143      12.01
+  1530         H1    103    ASN     HA   1530     0.1048      1.008
+  1531         CT    103    ASN     CB   1531    -0.2041      12.01
+  1532         HC    103    ASN    HB1   1532     0.0797      1.008
+  1533         HC    103    ASN    HB2   1533     0.0797      1.008
+  1534          C    103    ASN     CG   1534      0.713      12.01
+  1535          O    103    ASN    OD1   1535    -0.5931         16
+  1536          N    103    ASN    ND2   1536    -0.9191      14.01
+  1537          H    103    ASN   HD21   1537     0.4196      1.008
+  1538          H    103    ASN   HD22   1538     0.4196      1.008
+  1539          C    103    ASN      C   1539     0.5973      12.01
+  1540          O    103    ASN      O   1540    -0.5679         16   ; qtot 5
+; residue 104 GLY rtp GLY  q  0.0
+  1541          N    104    GLY      N   1541    -0.4157      14.01
+  1542          H    104    GLY      H   1542     0.2719      1.008
+  1543         CT    104    GLY     CA   1543    -0.0252      12.01
+  1544         H1    104    GLY    HA1   1544     0.0698      1.008
+  1545         H1    104    GLY    HA2   1545     0.0698      1.008
+  1546          C    104    GLY      C   1546     0.5973      12.01
+  1547          O    104    GLY      O   1547    -0.5679         16   ; qtot 5
+; residue 105 MET rtp MET  q  0.0
+  1548          N    105    MET      N   1548    -0.4157      14.01
+  1549          H    105    MET      H   1549     0.2719      1.008
+  1550         CT    105    MET     CA   1550    -0.0237      12.01
+  1551         H1    105    MET     HA   1551      0.088      1.008
+  1552         CT    105    MET     CB   1552     0.0342      12.01
+  1553         HC    105    MET    HB1   1553     0.0241      1.008
+  1554         HC    105    MET    HB2   1554     0.0241      1.008
+  1555         CT    105    MET     CG   1555     0.0018      12.01
+  1556         H1    105    MET    HG1   1556      0.044      1.008
+  1557         H1    105    MET    HG2   1557      0.044      1.008
+  1558          S    105    MET     SD   1558    -0.2737      32.06
+  1559         CT    105    MET     CE   1559    -0.0536      12.01
+  1560         H1    105    MET    HE1   1560     0.0684      1.008
+  1561         H1    105    MET    HE2   1561     0.0684      1.008
+  1562         H1    105    MET    HE3   1562     0.0684      1.008
+  1563          C    105    MET      C   1563     0.5973      12.01
+  1564          O    105    MET      O   1564    -0.5679         16   ; qtot 5
+; residue 106 ASN rtp ASN  q  0.0
+  1565          N    106    ASN      N   1565    -0.4157      14.01
+  1566          H    106    ASN      H   1566     0.2719      1.008
+  1567         CT    106    ASN     CA   1567     0.0143      12.01
+  1568         H1    106    ASN     HA   1568     0.1048      1.008
+  1569         CT    106    ASN     CB   1569    -0.2041      12.01
+  1570         HC    106    ASN    HB1   1570     0.0797      1.008
+  1571         HC    106    ASN    HB2   1571     0.0797      1.008
+  1572          C    106    ASN     CG   1572      0.713      12.01
+  1573          O    106    ASN    OD1   1573    -0.5931         16
+  1574          N    106    ASN    ND2   1574    -0.9191      14.01
+  1575          H    106    ASN   HD21   1575     0.4196      1.008
+  1576          H    106    ASN   HD22   1576     0.4196      1.008
+  1577          C    106    ASN      C   1577     0.5973      12.01
+  1578          O    106    ASN      O   1578    -0.5679         16   ; qtot 5
+; residue 107 ALA rtp ALA  q  0.0
+  1579          N    107    ALA      N   1579    -0.4157      14.01
+  1580          H    107    ALA      H   1580     0.2719      1.008
+  1581         CT    107    ALA     CA   1581     0.0337      12.01
+  1582         H1    107    ALA     HA   1582     0.0823      1.008
+  1583         CT    107    ALA     CB   1583    -0.1825      12.01
+  1584         HC    107    ALA    HB1   1584     0.0603      1.008
+  1585         HC    107    ALA    HB2   1585     0.0603      1.008
+  1586         HC    107    ALA    HB3   1586     0.0603      1.008
+  1587          C    107    ALA      C   1587     0.5973      12.01
+  1588          O    107    ALA      O   1588    -0.5679         16   ; qtot 5
+; residue 108 TRP rtp TRP  q  0.0
+  1589          N    108    TRP      N   1589    -0.4157      14.01
+  1590          H    108    TRP      H   1590     0.2719      1.008
+  1591         CT    108    TRP     CA   1591    -0.0275      12.01
+  1592         H1    108    TRP     HA   1592     0.1123      1.008
+  1593         CT    108    TRP     CB   1593     -0.005      12.01
+  1594         HC    108    TRP    HB1   1594     0.0339      1.008
+  1595         HC    108    TRP    HB2   1595     0.0339      1.008
+  1596         C*    108    TRP     CG   1596    -0.1415      12.01
+  1597         CW    108    TRP    CD1   1597    -0.1638      12.01
+  1598         H4    108    TRP    HD1   1598     0.2062      1.008
+  1599         NA    108    TRP    NE1   1599    -0.3418      14.01
+  1600          H    108    TRP    HE1   1600     0.3412      1.008
+  1601         CN    108    TRP    CE2   1601      0.138      12.01
+  1602         CA    108    TRP    CZ2   1602    -0.2601      12.01
+  1603         HA    108    TRP    HZ2   1603     0.1572      1.008
+  1604         CA    108    TRP    CH2   1604    -0.1134      12.01
+  1605         HA    108    TRP    HH2   1605     0.1417      1.008
+  1606         CA    108    TRP    CZ3   1606    -0.1972      12.01
+  1607         HA    108    TRP    HZ3   1607     0.1447      1.008
+  1608         CA    108    TRP    CE3   1608    -0.2387      12.01
+  1609         HA    108    TRP    HE3   1609       0.17      1.008
+  1610         CB    108    TRP    CD2   1610     0.1243      12.01
+  1611          C    108    TRP      C   1611     0.5973      12.01
+  1612          O    108    TRP      O   1612    -0.5679         16   ; qtot 5
+; residue 109 VAL rtp VAL  q  0.0
+  1613          N    109    VAL      N   1613    -0.4157      14.01
+  1614          H    109    VAL      H   1614     0.2719      1.008
+  1615         CT    109    VAL     CA   1615    -0.0875      12.01
+  1616         H1    109    VAL     HA   1616     0.0969      1.008
+  1617         CT    109    VAL     CB   1617     0.2985      12.01
+  1618         HC    109    VAL     HB   1618    -0.0297      1.008
+  1619         CT    109    VAL    CG1   1619    -0.3192      12.01
+  1620         HC    109    VAL   HG11   1620     0.0791      1.008
+  1621         HC    109    VAL   HG12   1621     0.0791      1.008
+  1622         HC    109    VAL   HG13   1622     0.0791      1.008
+  1623         CT    109    VAL    CG2   1623    -0.3192      12.01
+  1624         HC    109    VAL   HG21   1624     0.0791      1.008
+  1625         HC    109    VAL   HG22   1625     0.0791      1.008
+  1626         HC    109    VAL   HG23   1626     0.0791      1.008
+  1627          C    109    VAL      C   1627     0.5973      12.01
+  1628          O    109    VAL      O   1628    -0.5679         16   ; qtot 5
+; residue 110 ALA rtp ALA  q  0.0
+  1629          N    110    ALA      N   1629    -0.4157      14.01
+  1630          H    110    ALA      H   1630     0.2719      1.008
+  1631         CT    110    ALA     CA   1631     0.0337      12.01
+  1632         H1    110    ALA     HA   1632     0.0823      1.008
+  1633         CT    110    ALA     CB   1633    -0.1825      12.01
+  1634         HC    110    ALA    HB1   1634     0.0603      1.008
+  1635         HC    110    ALA    HB2   1635     0.0603      1.008
+  1636         HC    110    ALA    HB3   1636     0.0603      1.008
+  1637          C    110    ALA      C   1637     0.5973      12.01
+  1638          O    110    ALA      O   1638    -0.5679         16   ; qtot 5
+; residue 111 TRP rtp TRP  q  0.0
+  1639          N    111    TRP      N   1639    -0.4157      14.01
+  1640          H    111    TRP      H   1640     0.2719      1.008
+  1641         CT    111    TRP     CA   1641    -0.0275      12.01
+  1642         H1    111    TRP     HA   1642     0.1123      1.008
+  1643         CT    111    TRP     CB   1643     -0.005      12.01
+  1644         HC    111    TRP    HB1   1644     0.0339      1.008
+  1645         HC    111    TRP    HB2   1645     0.0339      1.008
+  1646         C*    111    TRP     CG   1646    -0.1415      12.01
+  1647         CW    111    TRP    CD1   1647    -0.1638      12.01
+  1648         H4    111    TRP    HD1   1648     0.2062      1.008
+  1649         NA    111    TRP    NE1   1649    -0.3418      14.01
+  1650          H    111    TRP    HE1   1650     0.3412      1.008
+  1651         CN    111    TRP    CE2   1651      0.138      12.01
+  1652         CA    111    TRP    CZ2   1652    -0.2601      12.01
+  1653         HA    111    TRP    HZ2   1653     0.1572      1.008
+  1654         CA    111    TRP    CH2   1654    -0.1134      12.01
+  1655         HA    111    TRP    HH2   1655     0.1417      1.008
+  1656         CA    111    TRP    CZ3   1656    -0.1972      12.01
+  1657         HA    111    TRP    HZ3   1657     0.1447      1.008
+  1658         CA    111    TRP    CE3   1658    -0.2387      12.01
+  1659         HA    111    TRP    HE3   1659       0.17      1.008
+  1660         CB    111    TRP    CD2   1660     0.1243      12.01
+  1661          C    111    TRP      C   1661     0.5973      12.01
+  1662          O    111    TRP      O   1662    -0.5679         16   ; qtot 5
+; residue 112 ARG rtp ARG  q +1.0
+  1663          N    112    ARG      N   1663    -0.3479      14.01
+  1664          H    112    ARG      H   1664     0.2747      1.008
+  1665         CT    112    ARG     CA   1665    -0.2637      12.01
+  1666         H1    112    ARG     HA   1666      0.156      1.008
+  1667         CT    112    ARG     CB   1667    -0.0007      12.01
+  1668         HC    112    ARG    HB1   1668     0.0327      1.008
+  1669         HC    112    ARG    HB2   1669     0.0327      1.008
+  1670         CT    112    ARG     CG   1670      0.039      12.01
+  1671         HC    112    ARG    HG1   1671     0.0285      1.008
+  1672         HC    112    ARG    HG2   1672     0.0285      1.008
+  1673         CT    112    ARG     CD   1673     0.0486      12.01
+  1674         H1    112    ARG    HD1   1674     0.0687      1.008
+  1675         H1    112    ARG    HD2   1675     0.0687      1.008
+  1676         N2    112    ARG     NE   1676    -0.5295      14.01
+  1677          H    112    ARG     HE   1677     0.3456      1.008
+  1678         CA    112    ARG     CZ   1678     0.8076      12.01
+  1679         N2    112    ARG    NH1   1679    -0.8627      14.01
+  1680          H    112    ARG   HH11   1680     0.4478      1.008
+  1681          H    112    ARG   HH12   1681     0.4478      1.008
+  1682         N2    112    ARG    NH2   1682    -0.8627      14.01
+  1683          H    112    ARG   HH21   1683     0.4478      1.008
+  1684          H    112    ARG   HH22   1684     0.4478      1.008
+  1685          C    112    ARG      C   1685     0.7341      12.01
+  1686          O    112    ARG      O   1686    -0.5894         16   ; qtot 6
+; residue 113 ASN rtp ASN  q  0.0
+  1687          N    113    ASN      N   1687    -0.4157      14.01
+  1688          H    113    ASN      H   1688     0.2719      1.008
+  1689         CT    113    ASN     CA   1689     0.0143      12.01
+  1690         H1    113    ASN     HA   1690     0.1048      1.008
+  1691         CT    113    ASN     CB   1691    -0.2041      12.01
+  1692         HC    113    ASN    HB1   1692     0.0797      1.008
+  1693         HC    113    ASN    HB2   1693     0.0797      1.008
+  1694          C    113    ASN     CG   1694      0.713      12.01
+  1695          O    113    ASN    OD1   1695    -0.5931         16
+  1696          N    113    ASN    ND2   1696    -0.9191      14.01
+  1697          H    113    ASN   HD21   1697     0.4196      1.008
+  1698          H    113    ASN   HD22   1698     0.4196      1.008
+  1699          C    113    ASN      C   1699     0.5973      12.01
+  1700          O    113    ASN      O   1700    -0.5679         16   ; qtot 6
+; residue 114 ARG rtp ARG  q +1.0
+  1701          N    114    ARG      N   1701    -0.3479      14.01
+  1702          H    114    ARG      H   1702     0.2747      1.008
+  1703         CT    114    ARG     CA   1703    -0.2637      12.01
+  1704         H1    114    ARG     HA   1704      0.156      1.008
+  1705         CT    114    ARG     CB   1705    -0.0007      12.01
+  1706         HC    114    ARG    HB1   1706     0.0327      1.008
+  1707         HC    114    ARG    HB2   1707     0.0327      1.008
+  1708         CT    114    ARG     CG   1708      0.039      12.01
+  1709         HC    114    ARG    HG1   1709     0.0285      1.008
+  1710         HC    114    ARG    HG2   1710     0.0285      1.008
+  1711         CT    114    ARG     CD   1711     0.0486      12.01
+  1712         H1    114    ARG    HD1   1712     0.0687      1.008
+  1713         H1    114    ARG    HD2   1713     0.0687      1.008
+  1714         N2    114    ARG     NE   1714    -0.5295      14.01
+  1715          H    114    ARG     HE   1715     0.3456      1.008
+  1716         CA    114    ARG     CZ   1716     0.8076      12.01
+  1717         N2    114    ARG    NH1   1717    -0.8627      14.01
+  1718          H    114    ARG   HH11   1718     0.4478      1.008
+  1719          H    114    ARG   HH12   1719     0.4478      1.008
+  1720         N2    114    ARG    NH2   1720    -0.8627      14.01
+  1721          H    114    ARG   HH21   1721     0.4478      1.008
+  1722          H    114    ARG   HH22   1722     0.4478      1.008
+  1723          C    114    ARG      C   1723     0.7341      12.01
+  1724          O    114    ARG      O   1724    -0.5894         16   ; qtot 7
+; residue 115 CYS rtp CYX  q  0.0
+  1725          N    115    CYS      N   1725    -0.4157      14.01
+  1726          H    115    CYS      H   1726     0.2719      1.008
+  1727         CT    115    CYS     CA   1727     0.0429      12.01
+  1728         H1    115    CYS     HA   1728     0.0766      1.008
+  1729         CT    115    CYS     CB   1729     -0.079      12.01
+  1730         H1    115    CYS    HB1   1730      0.091      1.008
+  1731         H1    115    CYS    HB2   1731      0.091      1.008
+  1732          S    115    CYS     SG   1732    -0.1081      32.06
+  1733          C    115    CYS      C   1733     0.5973      12.01
+  1734          O    115    CYS      O   1734    -0.5679         16   ; qtot 7
+; residue 116 LYS rtp LYS  q +1.0
+  1735          N    116    LYS      N   1735    -0.3479      14.01
+  1736          H    116    LYS      H   1736     0.2747      1.008
+  1737         CT    116    LYS     CA   1737      -0.24      12.01
+  1738         H1    116    LYS     HA   1738     0.1426      1.008
+  1739         CT    116    LYS     CB   1739    -0.0094      12.01
+  1740         HC    116    LYS    HB1   1740     0.0362      1.008
+  1741         HC    116    LYS    HB2   1741     0.0362      1.008
+  1742         CT    116    LYS     CG   1742     0.0187      12.01
+  1743         HC    116    LYS    HG1   1743     0.0103      1.008
+  1744         HC    116    LYS    HG2   1744     0.0103      1.008
+  1745         CT    116    LYS     CD   1745    -0.0479      12.01
+  1746         HC    116    LYS    HD1   1746     0.0621      1.008
+  1747         HC    116    LYS    HD2   1747     0.0621      1.008
+  1748         CT    116    LYS     CE   1748    -0.0143      12.01
+  1749         HP    116    LYS    HE1   1749     0.1135      1.008
+  1750         HP    116    LYS    HE2   1750     0.1135      1.008
+  1751         N3    116    LYS     NZ   1751    -0.3854      14.01
+  1752          H    116    LYS    HZ1   1752       0.34      1.008
+  1753          H    116    LYS    HZ2   1753       0.34      1.008
+  1754          H    116    LYS    HZ3   1754       0.34      1.008
+  1755          C    116    LYS      C   1755     0.7341      12.01
+  1756          O    116    LYS      O   1756    -0.5894         16   ; qtot 8
+; residue 117 GLY rtp GLY  q  0.0
+  1757          N    117    GLY      N   1757    -0.4157      14.01
+  1758          H    117    GLY      H   1758     0.2719      1.008
+  1759         CT    117    GLY     CA   1759    -0.0252      12.01
+  1760         H1    117    GLY    HA1   1760     0.0698      1.008
+  1761         H1    117    GLY    HA2   1761     0.0698      1.008
+  1762          C    117    GLY      C   1762     0.5973      12.01
+  1763          O    117    GLY      O   1763    -0.5679         16   ; qtot 8
+; residue 118 THR rtp THR  q  0.0
+  1764          N    118    THR      N   1764    -0.4157      14.01
+  1765          H    118    THR      H   1765     0.2719      1.008
+  1766         CT    118    THR     CA   1766    -0.0389      12.01
+  1767         H1    118    THR     HA   1767     0.1007      1.008
+  1768         CT    118    THR     CB   1768     0.3654      12.01
+  1769         H1    118    THR     HB   1769     0.0043      1.008
+  1770         CT    118    THR    CG2   1770    -0.2438      12.01
+  1771         HC    118    THR   HG21   1771     0.0642      1.008
+  1772         HC    118    THR   HG22   1772     0.0642      1.008
+  1773         HC    118    THR   HG23   1773     0.0642      1.008
+  1774         OH    118    THR    OG1   1774    -0.6761         16
+  1775         HO    118    THR    HG1   1775     0.4102      1.008
+  1776          C    118    THR      C   1776     0.5973      12.01
+  1777          O    118    THR      O   1777    -0.5679         16   ; qtot 8
+; residue 119 ASP rtp ASP  q -1.0
+  1778          N    119    ASP      N   1778    -0.5163      14.01
+  1779          H    119    ASP      H   1779     0.2936      1.008
+  1780         CT    119    ASP     CA   1780     0.0381      12.01
+  1781         H1    119    ASP     HA   1781      0.088      1.008
+  1782         CT    119    ASP     CB   1782    -0.0303      12.01
+  1783         HC    119    ASP    HB1   1783    -0.0122      1.008
+  1784         HC    119    ASP    HB2   1784    -0.0122      1.008
+  1785          C    119    ASP     CG   1785     0.7994      12.01
+  1786         O2    119    ASP    OD1   1786    -0.8014         16
+  1787         O2    119    ASP    OD2   1787    -0.8014         16
+  1788          C    119    ASP      C   1788     0.5366      12.01
+  1789          O    119    ASP      O   1789    -0.5819         16   ; qtot 7
+; residue 120 VAL rtp VAL  q  0.0
+  1790          N    120    VAL      N   1790    -0.4157      14.01
+  1791          H    120    VAL      H   1791     0.2719      1.008
+  1792         CT    120    VAL     CA   1792    -0.0875      12.01
+  1793         H1    120    VAL     HA   1793     0.0969      1.008
+  1794         CT    120    VAL     CB   1794     0.2985      12.01
+  1795         HC    120    VAL     HB   1795    -0.0297      1.008
+  1796         CT    120    VAL    CG1   1796    -0.3192      12.01
+  1797         HC    120    VAL   HG11   1797     0.0791      1.008
+  1798         HC    120    VAL   HG12   1798     0.0791      1.008
+  1799         HC    120    VAL   HG13   1799     0.0791      1.008
+  1800         CT    120    VAL    CG2   1800    -0.3192      12.01
+  1801         HC    120    VAL   HG21   1801     0.0791      1.008
+  1802         HC    120    VAL   HG22   1802     0.0791      1.008
+  1803         HC    120    VAL   HG23   1803     0.0791      1.008
+  1804          C    120    VAL      C   1804     0.5973      12.01
+  1805          O    120    VAL      O   1805    -0.5679         16   ; qtot 7
+; residue 121 GLN rtp GLN  q  0.0
+  1806          N    121    GLN      N   1806    -0.4157      14.01
+  1807          H    121    GLN      H   1807     0.2719      1.008
+  1808         CT    121    GLN     CA   1808    -0.0031      12.01
+  1809         H1    121    GLN     HA   1809      0.085      1.008
+  1810         CT    121    GLN     CB   1810    -0.0036      12.01
+  1811         HC    121    GLN    HB1   1811     0.0171      1.008
+  1812         HC    121    GLN    HB2   1812     0.0171      1.008
+  1813         CT    121    GLN     CG   1813    -0.0645      12.01
+  1814         HC    121    GLN    HG1   1814     0.0352      1.008
+  1815         HC    121    GLN    HG2   1815     0.0352      1.008
+  1816          C    121    GLN     CD   1816     0.6951      12.01
+  1817          O    121    GLN    OE1   1817    -0.6086         16
+  1818          N    121    GLN    NE2   1818    -0.9407      14.01
+  1819          H    121    GLN   HE21   1819     0.4251      1.008
+  1820          H    121    GLN   HE22   1820     0.4251      1.008
+  1821          C    121    GLN      C   1821     0.5973      12.01
+  1822          O    121    GLN      O   1822    -0.5679         16   ; qtot 7
+; residue 122 ALA rtp ALA  q  0.0
+  1823          N    122    ALA      N   1823    -0.4157      14.01
+  1824          H    122    ALA      H   1824     0.2719      1.008
+  1825         CT    122    ALA     CA   1825     0.0337      12.01
+  1826         H1    122    ALA     HA   1826     0.0823      1.008
+  1827         CT    122    ALA     CB   1827    -0.1825      12.01
+  1828         HC    122    ALA    HB1   1828     0.0603      1.008
+  1829         HC    122    ALA    HB2   1829     0.0603      1.008
+  1830         HC    122    ALA    HB3   1830     0.0603      1.008
+  1831          C    122    ALA      C   1831     0.5973      12.01
+  1832          O    122    ALA      O   1832    -0.5679         16   ; qtot 7
+; residue 123 TRP rtp TRP  q  0.0
+  1833          N    123    TRP      N   1833    -0.4157      14.01
+  1834          H    123    TRP      H   1834     0.2719      1.008
+  1835         CT    123    TRP     CA   1835    -0.0275      12.01
+  1836         H1    123    TRP     HA   1836     0.1123      1.008
+  1837         CT    123    TRP     CB   1837     -0.005      12.01
+  1838         HC    123    TRP    HB1   1838     0.0339      1.008
+  1839         HC    123    TRP    HB2   1839     0.0339      1.008
+  1840         C*    123    TRP     CG   1840    -0.1415      12.01
+  1841         CW    123    TRP    CD1   1841    -0.1638      12.01
+  1842         H4    123    TRP    HD1   1842     0.2062      1.008
+  1843         NA    123    TRP    NE1   1843    -0.3418      14.01
+  1844          H    123    TRP    HE1   1844     0.3412      1.008
+  1845         CN    123    TRP    CE2   1845      0.138      12.01
+  1846         CA    123    TRP    CZ2   1846    -0.2601      12.01
+  1847         HA    123    TRP    HZ2   1847     0.1572      1.008
+  1848         CA    123    TRP    CH2   1848    -0.1134      12.01
+  1849         HA    123    TRP    HH2   1849     0.1417      1.008
+  1850         CA    123    TRP    CZ3   1850    -0.1972      12.01
+  1851         HA    123    TRP    HZ3   1851     0.1447      1.008
+  1852         CA    123    TRP    CE3   1852    -0.2387      12.01
+  1853         HA    123    TRP    HE3   1853       0.17      1.008
+  1854         CB    123    TRP    CD2   1854     0.1243      12.01
+  1855          C    123    TRP      C   1855     0.5973      12.01
+  1856          O    123    TRP      O   1856    -0.5679         16   ; qtot 7
+; residue 124 ILE rtp ILE  q  0.0
+  1857          N    124    ILE      N   1857    -0.4157      14.01
+  1858          H    124    ILE      H   1858     0.2719      1.008
+  1859         CT    124    ILE     CA   1859    -0.0597      12.01
+  1860         H1    124    ILE     HA   1860     0.0869      1.008
+  1861         CT    124    ILE     CB   1861     0.1303      12.01
+  1862         HC    124    ILE     HB   1862     0.0187      1.008
+  1863         CT    124    ILE    CG2   1863    -0.3204      12.01
+  1864         HC    124    ILE   HG21   1864     0.0882      1.008
+  1865         HC    124    ILE   HG22   1865     0.0882      1.008
+  1866         HC    124    ILE   HG23   1866     0.0882      1.008
+  1867         CT    124    ILE    CG1   1867     -0.043      12.01
+  1868         HC    124    ILE   HG11   1868     0.0236      1.008
+  1869         HC    124    ILE   HG12   1869     0.0236      1.008
+  1870         CT    124    ILE     CD   1870     -0.066      12.01
+  1871         HC    124    ILE    HD1   1871     0.0186      1.008
+  1872         HC    124    ILE    HD2   1872     0.0186      1.008
+  1873         HC    124    ILE    HD3   1873     0.0186      1.008
+  1874          C    124    ILE      C   1874     0.5973      12.01
+  1875          O    124    ILE      O   1875    -0.5679         16   ; qtot 7
+; residue 125 ARG rtp ARG  q +1.0
+  1876          N    125    ARG      N   1876    -0.3479      14.01
+  1877          H    125    ARG      H   1877     0.2747      1.008
+  1878         CT    125    ARG     CA   1878    -0.2637      12.01
+  1879         H1    125    ARG     HA   1879      0.156      1.008
+  1880         CT    125    ARG     CB   1880    -0.0007      12.01
+  1881         HC    125    ARG    HB1   1881     0.0327      1.008
+  1882         HC    125    ARG    HB2   1882     0.0327      1.008
+  1883         CT    125    ARG     CG   1883      0.039      12.01
+  1884         HC    125    ARG    HG1   1884     0.0285      1.008
+  1885         HC    125    ARG    HG2   1885     0.0285      1.008
+  1886         CT    125    ARG     CD   1886     0.0486      12.01
+  1887         H1    125    ARG    HD1   1887     0.0687      1.008
+  1888         H1    125    ARG    HD2   1888     0.0687      1.008
+  1889         N2    125    ARG     NE   1889    -0.5295      14.01
+  1890          H    125    ARG     HE   1890     0.3456      1.008
+  1891         CA    125    ARG     CZ   1891     0.8076      12.01
+  1892         N2    125    ARG    NH1   1892    -0.8627      14.01
+  1893          H    125    ARG   HH11   1893     0.4478      1.008
+  1894          H    125    ARG   HH12   1894     0.4478      1.008
+  1895         N2    125    ARG    NH2   1895    -0.8627      14.01
+  1896          H    125    ARG   HH21   1896     0.4478      1.008
+  1897          H    125    ARG   HH22   1897     0.4478      1.008
+  1898          C    125    ARG      C   1898     0.7341      12.01
+  1899          O    125    ARG      O   1899    -0.5894         16   ; qtot 8
+; residue 126 GLY rtp GLY  q  0.0
+  1900          N    126    GLY      N   1900    -0.4157      14.01
+  1901          H    126    GLY      H   1901     0.2719      1.008
+  1902         CT    126    GLY     CA   1902    -0.0252      12.01
+  1903         H1    126    GLY    HA1   1903     0.0698      1.008
+  1904         H1    126    GLY    HA2   1904     0.0698      1.008
+  1905          C    126    GLY      C   1905     0.5973      12.01
+  1906          O    126    GLY      O   1906    -0.5679         16   ; qtot 8
+; residue 127 CYS rtp CYX  q  0.0
+  1907          N    127    CYS      N   1907    -0.4157      14.01
+  1908          H    127    CYS      H   1908     0.2719      1.008
+  1909         CT    127    CYS     CA   1909     0.0429      12.01
+  1910         H1    127    CYS     HA   1910     0.0766      1.008
+  1911         CT    127    CYS     CB   1911     -0.079      12.01
+  1912         H1    127    CYS    HB1   1912      0.091      1.008
+  1913         H1    127    CYS    HB2   1913      0.091      1.008
+  1914          S    127    CYS     SG   1914    -0.1081      32.06
+  1915          C    127    CYS      C   1915     0.5973      12.01
+  1916          O    127    CYS      O   1916    -0.5679         16   ; qtot 8
+; residue 128 ARG rtp ARG  q +1.0
+  1917          N    128    ARG      N   1917    -0.3479      14.01
+  1918          H    128    ARG      H   1918     0.2747      1.008
+  1919         CT    128    ARG     CA   1919    -0.2637      12.01
+  1920         H1    128    ARG     HA   1920      0.156      1.008
+  1921         CT    128    ARG     CB   1921    -0.0007      12.01
+  1922         HC    128    ARG    HB1   1922     0.0327      1.008
+  1923         HC    128    ARG    HB2   1923     0.0327      1.008
+  1924         CT    128    ARG     CG   1924      0.039      12.01
+  1925         HC    128    ARG    HG1   1925     0.0285      1.008
+  1926         HC    128    ARG    HG2   1926     0.0285      1.008
+  1927         CT    128    ARG     CD   1927     0.0486      12.01
+  1928         H1    128    ARG    HD1   1928     0.0687      1.008
+  1929         H1    128    ARG    HD2   1929     0.0687      1.008
+  1930         N2    128    ARG     NE   1930    -0.5295      14.01
+  1931          H    128    ARG     HE   1931     0.3456      1.008
+  1932         CA    128    ARG     CZ   1932     0.8076      12.01
+  1933         N2    128    ARG    NH1   1933    -0.8627      14.01
+  1934          H    128    ARG   HH11   1934     0.4478      1.008
+  1935          H    128    ARG   HH12   1935     0.4478      1.008
+  1936         N2    128    ARG    NH2   1936    -0.8627      14.01
+  1937          H    128    ARG   HH21   1937     0.4478      1.008
+  1938          H    128    ARG   HH22   1938     0.4478      1.008
+  1939          C    128    ARG      C   1939     0.7341      12.01
+  1940          O    128    ARG      O   1940    -0.5894         16   ; qtot 9
+; residue 129 LEU rtp CLEU q -1.0
+  1941          N    129    LEU      N   1941    -0.3821      14.01
+  1942          H    129    LEU      H   1942     0.2681      1.008
+  1943         CT    129    LEU     CA   1943    -0.2847      12.01
+  1944         H1    129    LEU     HA   1944     0.1346      1.008
+  1945         CT    129    LEU     CB   1945    -0.2469      12.01
+  1946         HC    129    LEU    HB1   1946     0.0974      1.008
+  1947         HC    129    LEU    HB2   1947     0.0974      1.008
+  1948         CT    129    LEU     CG   1948     0.3706      12.01
+  1949         HC    129    LEU     HG   1949    -0.0374      1.008
+  1950         CT    129    LEU    CD1   1950    -0.4163      12.01
+  1951         HC    129    LEU   HD11   1951     0.1038      1.008
+  1952         HC    129    LEU   HD12   1952     0.1038      1.008
+  1953         HC    129    LEU   HD13   1953     0.1038      1.008
+  1954         CT    129    LEU    CD2   1954    -0.4163      12.01
+  1955         HC    129    LEU   HD21   1955     0.1038      1.008
+  1956         HC    129    LEU   HD22   1956     0.1038      1.008
+  1957         HC    129    LEU   HD23   1957     0.1038      1.008
+  1958          C    129    LEU      C   1958     0.8326      12.01
+  1959         O2    129    LEU    OC1   1959    -0.8199         16
+  1960         O2    129    LEU    OC2   1960    -0.8199         16   ; qtot 8
+
+[ bonds ]
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+ 1615  1629  1627  1628     4 
+ 1627  1631  1629  1630     4 
+ 1631  1639  1637  1638     4 
+ 1637  1641  1639  1640     4 
+ 1641  1663  1661  1662     4 
+ 1646  1649  1647  1648     4 
+ 1647  1651  1649  1650     4 
+ 1647  1646  1643  1660     4 
+ 1651  1654  1652  1653     4 
+ 1652  1656  1654  1655     4 
+ 1654  1658  1656  1657     4 
+ 1656  1660  1658  1659     4 
+ 1661  1665  1663  1664     4 
+ 1665  1687  1685  1686     4 
+ 1673  1678  1676  1677     4 
+ 1676  1679  1678  1682     4 
+ 1678  1680  1679  1681     4 
+ 1678  1683  1682  1684     4 
+ 1685  1689  1687  1688     4 
+ 1689  1701  1699  1700     4 
+ 1691  1696  1694  1695     4 
+ 1694  1697  1696  1698     4 
+ 1699  1703  1701  1702     4 
+ 1703  1725  1723  1724     4 
+ 1711  1716  1714  1715     4 
+ 1714  1717  1716  1720     4 
+ 1716  1718  1717  1719     4 
+ 1716  1721  1720  1722     4 
+ 1723  1727  1725  1726     4 
+ 1727  1735  1733  1734     4 
+ 1733  1737  1735  1736     4 
+ 1737  1757  1755  1756     4 
+ 1755  1759  1757  1758     4 
+ 1759  1764  1762  1763     4 
+ 1762  1766  1764  1765     4 
+ 1766  1778  1776  1777     4 
+ 1776  1780  1778  1779     4 
+ 1780  1790  1788  1789     4 
+ 1782  1786  1785  1787     4 
+ 1788  1792  1790  1791     4 
+ 1792  1806  1804  1805     4 
+ 1804  1808  1806  1807     4 
+ 1808  1823  1821  1822     4 
+ 1813  1818  1816  1817     4 
+ 1816  1819  1818  1820     4 
+ 1821  1825  1823  1824     4 
+ 1825  1833  1831  1832     4 
+ 1831  1835  1833  1834     4 
+ 1835  1857  1855  1856     4 
+ 1840  1843  1841  1842     4 
+ 1841  1845  1843  1844     4 
+ 1841  1840  1837  1854     4 
+ 1845  1848  1846  1847     4 
+ 1846  1850  1848  1849     4 
+ 1848  1852  1850  1851     4 
+ 1850  1854  1852  1853     4 
+ 1855  1859  1857  1858     4 
+ 1859  1876  1874  1875     4 
+ 1874  1878  1876  1877     4 
+ 1878  1900  1898  1899     4 
+ 1886  1891  1889  1890     4 
+ 1889  1892  1891  1895     4 
+ 1891  1893  1892  1894     4 
+ 1891  1896  1895  1897     4 
+ 1898  1902  1900  1901     4 
+ 1902  1907  1905  1906     4 
+ 1905  1909  1907  1908     4 
+ 1909  1917  1915  1916     4 
+ 1915  1919  1917  1918     4 
+ 1919  1941  1939  1940     4 
+ 1927  1932  1930  1931     4 
+ 1930  1933  1932  1936     4 
+ 1932  1934  1933  1935     4 
+ 1932  1937  1936  1938     4 
+ 1939  1943  1941  1942     4 
+ 1943  1959  1958  1960     4 
+
+; Include Position restraint file
+#ifdef POSRES
+#include "posre.itp"
+#endif
+
+; Include water topology
+#include "amber99sb-ildn.ff/tip3p.itp"
+
+#ifdef POSRES_WATER
+; Position restraint for each water oxygen
+[ position_restraints ]
+;  i funct       fcx        fcy        fcz
+   1    1       1000       1000       1000
+#endif
+
+; Include topology for ions
+#include "amber99sb-ildn.ff/ions.itp"
+
+[ system ]
+; Name
+HEN EGG WHITE LYSOZYME in water
+
+[ molecules ]
+; Compound        #mols
+Protein_chain_A     1
+SOL               185
+SOL         16057
+NA               46
+CL               54
diff --git a/gromacs-demos/vacf/.DS_Store b/gromacs-demos/vacf/.DS_Store
new file mode 100644
index 0000000..5008ddf
Binary files /dev/null and b/gromacs-demos/vacf/.DS_Store differ
diff --git a/gromacs-demos/vacf/.keep b/gromacs-demos/vacf/.keep
new file mode 100644
index 0000000..0d4b760
--- /dev/null
+++ b/gromacs-demos/vacf/.keep
@@ -0,0 +1 @@
+# Test file
\ No newline at end of file
diff --git a/gromacs-demos/vacf/__pycache__/dynplot.cpython-312.pyc b/gromacs-demos/vacf/__pycache__/dynplot.cpython-312.pyc
new file mode 100644
index 0000000..f08f990
Binary files /dev/null and b/gromacs-demos/vacf/__pycache__/dynplot.cpython-312.pyc differ
diff --git a/gromacs-demos/vacf/__pycache__/vdos.cpython-312.pyc b/gromacs-demos/vacf/__pycache__/vdos.cpython-312.pyc
new file mode 100644
index 0000000..70f444f
Binary files /dev/null and b/gromacs-demos/vacf/__pycache__/vdos.cpython-312.pyc differ
diff --git a/gromacs-demos/vacf/__pycache__/vdos.cpython-313.pyc b/gromacs-demos/vacf/__pycache__/vdos.cpython-313.pyc
new file mode 100644
index 0000000..0923419
Binary files /dev/null and b/gromacs-demos/vacf/__pycache__/vdos.cpython-313.pyc differ
diff --git a/gromacs-demos/vacf/confout.gro b/gromacs-demos/vacf/confout.gro
new file mode 100644
index 0000000..a03d81b
--- /dev/null
+++ b/gromacs-demos/vacf/confout.gro
@@ -0,0 +1,2655 @@
+Generated by gmx solvate
+ 2652
+    1SOL     OW    1   0.087   1.783   1.706 -0.1243  0.2163 -0.2438
+    1SOL    HW1    2   0.032   1.753   1.778 -0.9087 -0.6784 -1.1986
+    1SOL    HW2    3   0.169   1.736   1.717  0.2525  1.1361  0.8694
+    2SOL     OW    4   0.989   2.826   1.265 -0.2059  0.1709 -0.3908
+    2SOL    HW1    5   0.982   2.739   1.304  2.8541 -0.0364 -0.1751
+    2SOL    HW2    6   1.064   2.819   1.205  0.1441  2.6794 -0.2879
+    3SOL     OW    7   1.743   2.971   0.330  0.0216 -0.2699  0.3809
+    3SOL    HW1    8   1.750   2.896   0.270  1.2574 -1.6226  2.1665
+    3SOL    HW2    9   1.652   2.971   0.358 -0.2426 -0.4375 -0.4441
+    4SOL     OW   10   1.964   0.273   1.240 -0.4046 -0.3472 -0.3070
+    4SOL    HW1   11   1.988   0.359   1.207 -3.4078  0.0540 -1.5895
+    4SOL    HW2   12   1.980   0.278   1.334  1.3571  0.9085 -0.6577
+    5SOL     OW   13   1.199   2.321   2.797  0.4658  0.0672  0.2425
+    5SOL    HW1   14   1.163   2.355   2.879 -1.8606 -2.7529  0.4846
+    5SOL    HW2   15   1.218   2.229   2.816  1.7439 -0.1193 -1.8263
+    6SOL     OW   16   1.793   1.931   2.273 -0.1854 -0.3539 -0.2292
+    6SOL    HW1   17   1.826   1.842   2.275 -0.3989 -0.4956 -1.7947
+    6SOL    HW2   18   1.860   1.980   2.224  0.0587  0.3994  0.8437
+    7SOL     OW   19   0.682   0.051   1.967 -0.3869  0.4434 -0.5629
+    7SOL    HW1   20   0.660   0.021   2.055  1.9780 -0.5571 -0.2712
+    7SOL    HW2   21   0.658   0.143   1.967 -1.6630  0.1379  0.6816
+    8SOL     OW   22   0.040   2.475   0.047 -0.4028 -0.1236 -0.0301
+    8SOL    HW1   23  -0.041   2.480   0.098 -1.4969 -0.8428 -1.6478
+    8SOL    HW2   24   0.101   2.533   0.094 -0.7070 -2.2969  3.2261
+    9SOL     OW   25   1.943   1.807   1.987  0.7602 -0.3435 -0.5246
+    9SOL    HW1   26   1.917   1.769   2.070  1.5833  0.2561  0.0158
+    9SOL    HW2   27   1.895   1.757   1.921 -1.6275  0.6521  0.4288
+   10SOL     OW   28   2.817   0.454   0.230 -0.0937  0.1677 -0.3102
+   10SOL    HW1   29   2.887   0.417   0.177  0.4810 -1.4672  1.5283
+   10SOL    HW2   30   2.816   0.547   0.207  2.3557  0.1280 -0.7268
+   11SOL     OW   31   1.374   1.641   1.262  0.2123  0.2244  0.1146
+   11SOL    HW1   32   1.299   1.585   1.243  0.6302 -0.5909  0.8071
+   11SOL    HW2   33   1.450   1.589   1.233  0.5179  0.9765 -0.4418
+   12SOL     OW   34   2.719   2.029   0.994  0.1265 -0.1652  0.1628
+   12SOL    HW1   35   2.784   1.959   0.987  0.3938  0.1753 -0.8782
+   12SOL    HW2   36   2.743   2.076   1.073  0.8173 -0.3850  0.0892
+   13SOL     OW   37   0.712   2.634   1.582 -0.8255  0.7231 -0.6254
+   13SOL    HW1   38   0.726   2.727   1.564  0.7564  0.3266 -1.5382
+   13SOL    HW2   39   0.791   2.591   1.551  0.2527 -0.4988  3.5102
+   14SOL     OW   40   2.058   1.672   0.240  0.7698  0.0659 -0.3951
+   14SOL    HW1   41   2.151   1.694   0.234  0.5305  0.6626 -2.5427
+   14SOL    HW2   42   2.015   1.735   0.182 -0.7954 -1.1510 -0.5925
+   15SOL     OW   43   2.933   1.117   2.070 -0.0538 -0.8732  0.3758
+   15SOL    HW1   44   2.934   1.210   2.089  0.5383 -0.4422 -1.6066
+   15SOL    HW2   45   2.846   1.088   2.095 -0.7985  0.5595 -0.4904
+   16SOL     OW   46   2.202   1.242   0.951  0.1637 -0.6658 -0.0917
+   16SOL    HW1   47   2.143   1.317   0.943 -0.7330 -1.3036  0.4535
+   16SOL    HW2   48   2.274   1.274   1.006  0.1402  0.0066 -0.4502
+   17SOL     OW   49   1.061   2.173   0.683  0.1584 -0.1788  0.4331
+   17SOL    HW1   50   1.025   2.146   0.768 -1.0562 -0.8531 -0.2850
+   17SOL    HW2   51   1.025   2.261   0.669  3.9686  1.8774  2.6863
+   18SOL     OW   52   1.270   0.536   2.971 -0.3774 -0.0389 -0.0318
+   18SOL    HW1   53   1.298   0.494   3.052 -0.6644 -0.3782 -0.1062
+   18SOL    HW2   54   1.336   0.604   2.955  0.8978 -1.3819 -0.6647
+   19SOL     OW   55   2.037   0.548   1.218 -0.0979  0.0021  0.4432
+   19SOL    HW1   56   1.949   0.573   1.191  0.1944  0.8086  0.2083
+   19SOL    HW2   57   2.074   0.629   1.254  1.3246  0.2517 -1.5090
+   20SOL     OW   58   2.861   2.401   2.417  0.0467  0.5105  0.2309
+   20SOL    HW1   59   2.882   2.484   2.459  1.3661  0.2336  0.1505
+   20SOL    HW2   60   2.912   2.402   2.335 -1.2888  0.3858 -0.6176
+   21SOL     OW   61   0.210   1.216   2.190  0.8917 -0.1243 -0.6817
+   21SOL    HW1   62   0.175   1.201   2.102  1.4261 -1.1318 -0.7274
+   21SOL    HW2   63   0.135   1.200   2.248  0.5339  0.5548 -0.9441
+   22SOL     OW   64   1.917   1.626   0.456 -0.1758  0.2607  0.1425
+   22SOL    HW1   65   1.931   1.707   0.505 -1.6242  0.3189  0.4800
+   22SOL    HW2   66   1.979   1.631   0.384 -1.7343  2.7088 -1.1051
+   23SOL     OW   67   2.016   0.169   0.202 -0.6491  0.1651  0.3116
+   23SOL    HW1   68   1.932   0.138   0.236  0.3753 -0.9831  1.8835
+   23SOL    HW2   69   2.040   0.242   0.260 -0.1303 -0.1080  0.4408
+   24SOL     OW   70   1.863   0.769   2.929 -0.5764 -0.2241  0.3642
+   24SOL    HW1   71   1.787   0.731   2.885  0.5574 -1.6224 -0.4304
+   24SOL    HW2   72   1.934   0.707   2.912  0.6356  0.8238  1.4907
+   25SOL     OW   73   1.812   0.307   2.977 -0.1635 -0.7017  0.3202
+   25SOL    HW1   74   1.746   0.298   2.908  1.0988  0.9724 -1.1551
+   25SOL    HW2   75   1.892   0.272   2.938  0.8282  1.3122  0.4796
+   26SOL     OW   76   2.137   1.389   0.637 -0.5597  0.1863  0.6469
+   26SOL    HW1   77   2.118   1.480   0.661  1.0739  0.8003 -0.3114
+   26SOL    HW2   78   2.162   1.348   0.720  0.3546  1.0408  0.8030
+   27SOL     OW   79   2.239   0.614   0.392  0.1967  0.1430 -0.1116
+   27SOL    HW1   80   2.192   0.691   0.362 -0.0880  0.8531  2.0285
+   27SOL    HW2   81   2.325   0.648   0.418  0.5859 -0.5172 -0.5199
+   28SOL     OW   82   0.679   1.927   0.783 -0.0279  0.0255  0.0415
+   28SOL    HW1   83   0.617   1.935   0.855 -0.1109 -0.1144 -0.0140
+   28SOL    HW2   84   0.641   1.860   0.726 -0.4851  0.8700 -0.6594
+   29SOL     OW   85   3.018   1.936   0.416  0.0749  0.9963 -0.2902
+   29SOL    HW1   86   2.943   1.995   0.405 -1.5407 -0.5450  1.9388
+   29SOL    HW2   87   3.014   1.911   0.508  3.5010  1.0393 -0.0777
+   30SOL     OW   88   0.388   0.668   0.183  0.8630 -0.0201  0.1078
+   30SOL    HW1   89   0.316   0.707   0.233 -0.5750 -0.9241 -1.2507
+   30SOL    HW2   90   0.452   0.739   0.175  0.0703  0.8372  1.2000
+   31SOL     OW   91   1.443   0.483   1.782 -0.2283 -0.2013  0.5514
+   31SOL    HW1   92   1.427   0.571   1.815 -0.9547  0.4101 -1.3442
+   31SOL    HW2   93   1.438   0.427   1.859  3.3943  1.7480  2.3454
+   32SOL     OW   94   0.310   1.826   0.878 -0.6098 -0.1470 -0.6074
+   32SOL    HW1   95   0.311   1.900   0.939 -1.4261 -1.0421  0.5076
+   32SOL    HW2   96   0.330   1.865   0.793 -2.2101  1.5400 -0.2356
+   33SOL     OW   97   0.974   0.304   1.818 -0.3878 -0.0865  0.4766
+   33SOL    HW1   98   1.024   0.225   1.838 -2.4443 -1.6840 -0.4413
+   33SOL    HW2   99   0.938   0.288   1.731 -3.3823  0.4784  1.5344
+   34SOL     OW  100   2.417   2.763   2.489 -0.1031 -0.2736 -0.5722
+   34SOL    HW1  101   2.508   2.776   2.463 -0.4293  1.6729 -0.8112
+   34SOL    HW2  102   2.366   2.779   2.409 -0.7328 -0.0317 -0.1309
+   35SOL     OW  103   0.960   0.893   2.407  0.5192 -0.0482 -0.1746
+   35SOL    HW1  104   0.873   0.929   2.386 -0.2926 -2.0180 -0.2820
+   35SOL    HW2  105   0.987   0.849   2.327  0.6277 -1.3453  0.5728
+   36SOL     OW  106   0.103   2.654   1.312  0.3903  0.4582  0.6022
+   36SOL    HW1  107   0.109   2.689   1.401 -0.7706 -0.1740  0.9373
+   36SOL    HW2  108   0.194   2.636   1.287  0.7708  1.2454  1.4119
+   37SOL     OW  109   1.237   0.900   0.249 -0.9001 -0.0819  0.4375
+   37SOL    HW1  110   1.214   0.993   0.243 -0.6554 -0.0567 -0.2417
+   37SOL    HW2  111   1.195   0.870   0.329 -0.9295  0.6305  0.6983
+   38SOL     OW  112   1.536   0.926   0.206  0.0763  0.2170 -0.4140
+   38SOL    HW1  113   1.587   0.847   0.219 -0.7441 -0.5619 -1.7491
+   38SOL    HW2  114   1.447   0.902   0.234 -0.0397  0.8642 -0.2123
+   39SOL     OW  115   2.490   2.499   2.967 -0.0516  0.0862  0.2578
+   39SOL    HW1  116   2.577   2.484   2.931 -0.1599  0.7084 -0.2723
+   39SOL    HW2  117   2.500   2.577   3.022 -0.8731  1.9111 -2.0603
+   40SOL     OW  118   2.478   2.745   1.934  0.3716 -0.8149  0.3437
+   40SOL    HW1  119   2.573   2.738   1.932  0.4378 -0.6124  1.7815
+   40SOL    HW2  120   2.447   2.661   1.900  1.0520 -0.6452 -0.7038
+   41SOL     OW  121   2.762   1.570   1.514  0.1157  0.1973 -0.0952
+   41SOL    HW1  122   2.753   1.500   1.579  0.0422 -0.9046 -1.2727
+   41SOL    HW2  123   2.853   1.565   1.486  0.0486  0.4216 -0.3541
+   42SOL     OW  124   1.479   2.080   0.768 -0.0970  0.0516 -0.4328
+   42SOL    HW1  125   1.432   2.006   0.728  0.0007 -0.1705 -0.1433
+   42SOL    HW2  126   1.516   2.043   0.848  2.0113 -0.2229 -1.5123
+   43SOL     OW  127   0.981   2.996   1.478 -0.0086  0.3973 -0.1889
+   43SOL    HW1  128   1.020   2.946   1.550 -1.3925  0.1363  0.3956
+   43SOL    HW2  129   0.989   2.938   1.402 -1.7081 -0.7892  0.5075
+   44SOL     OW  130   1.311   2.608   0.014  0.4859  0.1936  0.1572
+   44SOL    HW1  131   1.265   2.524   0.023  0.9270  0.1713  2.4760
+   44SOL    HW2  132   1.403   2.587   0.030  0.4050  1.3497  2.2585
+   45SOL     OW  133   0.755   2.179   1.131 -0.6334 -0.2103 -0.0272
+   45SOL    HW1  134   0.811   2.250   1.100 -0.4862 -0.8340 -1.2224
+   45SOL    HW2  135   0.697   2.220   1.195  0.5849  0.6337  0.5585
+   46SOL     OW  136   2.327   1.339   1.633 -0.1842 -0.0027 -0.3738
+   46SOL    HW1  137   2.379   1.416   1.609  0.9923 -0.4602  0.6407
+   46SOL    HW2  138   2.318   1.289   1.552  2.2019 -0.6435 -0.2542
+   47SOL     OW  139   0.369   1.946   2.914 -0.7122  0.1298  0.0904
+   47SOL    HW1  140   0.404   1.959   3.002 -0.3684  2.0369 -0.3172
+   47SOL    HW2  141   0.279   1.980   2.919 -0.9702 -0.5257 -0.0781
+   48SOL     OW  142   0.168   1.963   2.164 -0.0582 -0.3417  0.0170
+   48SOL    HW1  143   0.235   1.989   2.100 -1.0841  1.4877 -0.3646
+   48SOL    HW2  144   0.190   2.014   2.242  1.1652 -2.5356  1.1602
+   49SOL     OW  145   1.939   1.411   2.732  0.0987  0.0109  0.0646
+   49SOL    HW1  146   2.008   1.374   2.677 -0.2469  2.0709 -1.8166
+   49SOL    HW2  147   1.973   1.496   2.760 -1.6363  1.0411 -0.8603
+   50SOL     OW  148   1.770   0.566   1.082 -0.0597 -0.5512  0.0617
+   50SOL    HW1  149   1.702   0.525   1.135 -0.6288  0.2748 -0.0190
+   50SOL    HW2  150   1.747   0.541   0.992 -0.6290  0.2285 -0.0241
+   51SOL     OW  151   1.904   1.989   1.618  0.5974 -0.4113 -0.0778
+   51SOL    HW1  152   1.874   1.926   1.684 -0.2454  0.8057  0.7279
+   51SOL    HW2  153   1.860   2.071   1.642 -0.5586 -0.1915 -2.7594
+   52SOL     OW  154   1.019   1.345   2.481  0.2485 -0.3889  0.3892
+   52SOL    HW1  155   0.925   1.351   2.461  0.1360 -0.2147  0.9576
+   52SOL    HW2  156   1.054   1.285   2.415 -0.2907 -0.5682  0.2640
+   53SOL     OW  157   1.669   2.537   1.482  0.1600  0.5142 -0.5987
+   53SOL    HW1  158   1.716   2.454   1.487  0.3778  0.4372 -3.1016
+   53SOL    HW2  159   1.717   2.587   1.416 -0.8350  2.0499 -0.1757
+   54SOL     OW  160   0.914   2.903   1.890 -0.5976  0.3601  0.5147
+   54SOL    HW1  161   0.825   2.920   1.921 -0.3225 -0.1815  1.6335
+   54SOL    HW2  162   0.944   2.830   1.944 -0.3080 -0.9990 -1.4227
+   55SOL     OW  163   1.599   0.463   1.261 -0.1553  0.0212  0.5883
+   55SOL    HW1  164   1.628   0.385   1.309  2.3153  0.3173 -0.3861
+   55SOL    HW2  165   1.589   0.530   1.327 -0.8902 -0.7121  1.2396
+   56SOL     OW  166   0.899   1.578   0.621 -0.3279  0.3755  0.2389
+   56SOL    HW1  167   0.825   1.523   0.646 -0.8813  1.4488  0.9716
+   56SOL    HW2  168   0.901   1.647   0.687  0.8898  0.7594 -0.1882
+   57SOL     OW  169   1.004   2.453   0.622  0.2027  0.3528  0.0523
+   57SOL    HW1  170   1.025   2.410   0.539  1.0604  0.8073  0.0257
+   57SOL    HW2  171   0.910   2.471   0.616  0.3988  1.0640 -1.1527
+   58SOL     OW  172   0.299   0.532   2.584 -0.3241  0.4150 -0.3407
+   58SOL    HW1  173   0.333   0.587   2.654 -0.4608 -0.4638  0.4222
+   58SOL    HW2  174   0.376   0.503   2.536 -0.1465  0.0353  0.1776
+   59SOL     OW  175   1.285   0.477   1.483 -0.0197 -0.4997  0.0227
+   59SOL    HW1  176   1.265   0.391   1.448 -0.1141 -0.6502  0.4473
+   59SOL    HW2  177   1.350   0.461   1.552  0.6824 -0.1382 -0.5411
+   60SOL     OW  178   2.689   0.760   2.388  0.0574 -0.3428 -0.6202
+   60SOL    HW1  179   2.720   0.671   2.401 -1.4731 -0.8294 -0.2355
+   60SOL    HW2  180   2.603   0.762   2.430 -0.5197  0.9242 -1.8251
+   61SOL     OW  181   2.183   1.658   0.662  0.4657 -0.2270  1.1362
+   61SOL    HW1  182   2.245   1.689   0.728 -0.0381  2.6670  0.3329
+   61SOL    HW2  183   2.150   1.738   0.620 -1.1093 -1.8699 -0.9099
+   62SOL     OW  184   1.377   2.744   1.365  0.4333  0.0766  0.4482
+   62SOL    HW1  185   1.416   2.731   1.279  0.5515  1.4728  0.2847
+   62SOL    HW2  186   1.299   2.688   1.364 -0.2712  1.0385 -1.0404
+   63SOL     OW  187   2.643   1.674   0.319  0.2080 -0.2187 -0.0506
+   63SOL    HW1  188   2.551   1.648   0.326  0.5246 -0.9692  1.5489
+   63SOL    HW2  189   2.644   1.765   0.349 -0.2479  0.2920 -1.5673
+   64SOL     OW  190   0.941   1.167   1.496 -0.1843  0.2208 -0.2582
+   64SOL    HW1  191   0.934   1.073   1.509  1.0915  0.0843 -0.5409
+   64SOL    HW2  192   0.888   1.205   1.566 -1.2449 -0.7154 -0.5571
+   65SOL     OW  193   1.501   1.301   0.011 -0.3976  0.1296 -0.3198
+   65SOL    HW1  194   1.521   1.239   0.081 -1.4729 -0.9743 -0.9523
+   65SOL    HW2  195   1.585   1.317  -0.033  0.1135  0.1242  0.6510
+   66SOL     OW  196   2.957   2.135   2.208 -0.1843 -0.5991  0.2360
+   66SOL    HW1  197   3.015   2.061   2.190 -0.1946 -0.4039 -0.6116
+   66SOL    HW2  198   2.890   2.099   2.266  0.2475 -1.0653  0.4464
+   67SOL     OW  199   0.489   0.792   1.747 -0.2338  0.1295  0.4848
+   67SOL    HW1  200   0.412   0.802   1.692  0.7110  0.4569 -0.8035
+   67SOL    HW2  201   0.460   0.737   1.820 -1.5931  0.0031 -0.1448
+   68SOL     OW  202   2.411   1.365   0.723  0.4417 -0.1732  0.2967
+   68SOL    HW1  203   2.446   1.318   0.799  0.9390 -0.3833 -0.0642
+   68SOL    HW2  204   2.421   1.304   0.650 -1.0724 -0.4105  0.2626
+   69SOL     OW  205   0.299   1.730   2.039  0.2456  0.4276  0.2107
+   69SOL    HW1  206   0.331   1.776   1.961  1.0926  0.4687  0.5785
+   69SOL    HW2  207   0.281   1.800   2.102 -1.3857  0.4705 -0.2782
+   70SOL     OW  208   0.805   2.993   1.144  0.0262 -0.3301 -1.1605
+   70SOL    HW1  209   0.873   2.937   1.183 -0.1512 -0.7764 -1.4781
+   70SOL    HW2  210   0.776   3.049   1.216 -1.9670 -2.7460  0.0306
+   71SOL     OW  211   1.939   0.267   1.520 -0.0578 -0.5836  0.4786
+   71SOL    HW1  212   1.918   0.216   1.598  0.1579 -0.8656  0.3547
+   71SOL    HW2  213   2.029   0.296   1.534 -0.4003  0.2953  0.8363
+   72SOL     OW  214   2.100   2.224   1.225  0.5884 -0.2946 -0.5067
+   72SOL    HW1  215   2.175   2.255   1.277  0.2373  1.1374 -0.8208
+   72SOL    HW2  216   2.051   2.169   1.286  0.1944  1.3474  0.7293
+   73SOL     OW  217   1.234   1.577   0.148  0.3702  0.0060  0.2883
+   73SOL    HW1  218   1.247   1.568   0.054  2.0716  1.1830  0.3846
+   73SOL    HW2  219   1.312   1.538   0.187  0.4942  1.1114  1.1620
+   74SOL     OW  220   0.369   2.345   2.201  0.2764  0.5424  0.2867
+   74SOL    HW1  221   0.454   2.322   2.238  0.6731  1.3782 -0.0789
+   74SOL    HW2  222   0.305   2.313   2.265  0.9083  0.8559  1.0791
+   75SOL     OW  223   1.083   2.827   0.775 -0.1466  0.2532 -0.5071
+   75SOL    HW1  224   1.159   2.816   0.718 -0.1529 -0.0197 -0.4593
+   75SOL    HW2  225   1.026   2.887   0.726  0.6780  1.4979  0.0325
+   76SOL     OW  226   0.171   0.699   1.378  1.1161 -0.3252  0.7915
+   76SOL    HW1  227   0.129   0.772   1.331 -0.7845 -0.4227  2.2758
+   76SOL    HW2  228   0.255   0.735   1.408 -0.0972  1.4945  2.0892
+   77SOL     OW  229   1.673   1.103   0.672 -0.0525  0.0675 -0.0682
+   77SOL    HW1  230   1.692   1.011   0.692  0.4796  0.4311  1.1772
+   77SOL    HW2  231   1.581   1.104   0.645 -0.6052 -0.5724  1.7230
+   78SOL     OW  232   0.054   0.225   1.110  0.2813  0.3430  0.1170
+   78SOL    HW1  233   0.047   0.316   1.139 -0.2442 -0.2059  1.7694
+   78SOL    HW2  234  -0.033   0.203   1.077  0.0263  0.0263  0.9900
+   79SOL     OW  235   0.755   2.128   0.109 -0.3538 -0.1985 -0.4400
+   79SOL    HW1  236   0.787   2.185   0.179 -0.0916 -0.9816  0.0854
+   79SOL    HW2  237   0.831   2.074   0.085 -0.5155 -0.1171 -1.1472
+   80SOL     OW  238   2.536   0.393   2.041  0.2746  0.1489 -0.1367
+   80SOL    HW1  239   2.501   0.463   2.097  0.6590 -0.4777  0.9146
+   80SOL    HW2  240   2.463   0.369   1.985 -0.3469  0.2968  0.5919
+   81SOL     OW  241   2.682   1.936   0.566  0.5522  0.3835  0.4889
+   81SOL    HW1  242   2.762   1.902   0.607  0.5500  1.1365  1.1361
+   81SOL    HW2  243   2.713   1.989   0.493  0.5273 -1.5623 -0.9473
+   82SOL     OW  244   1.417   0.669   0.281 -0.2750  0.7602  0.4129
+   82SOL    HW1  245   1.335   0.711   0.255  0.7514  2.0382 -0.8506
+   82SOL    HW2  246   1.410   0.580   0.245 -0.8019  1.0967 -0.3448
+   83SOL     OW  247   0.182   1.530   0.417  0.5352 -0.3905 -0.0074
+   83SOL    HW1  248   0.239   1.483   0.478  1.6153 -0.4309 -1.0429
+   83SOL    HW2  249   0.106   1.473   0.406  0.4271 -0.4820  1.1265
+   84SOL     OW  250   1.395   0.420   0.184  0.1772  0.0268 -0.0878
+   84SOL    HW1  251   1.342   0.374   0.248 -1.0465  2.5835  0.8086
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+   85SOL     OW  253   2.967   2.954   0.146 -0.6757  0.1433  0.5464
+   85SOL    HW1  254   2.947   2.953   0.239  0.5450 -2.2995  0.8106
+   85SOL    HW2  255   2.913   3.026   0.111 -1.6215  0.6739  2.9954
+   86SOL     OW  256   0.031   0.375   0.710 -1.1982 -0.2061 -0.6342
+   86SOL    HW1  257  -0.007   0.462   0.698  0.0540  0.0704 -2.8835
+   86SOL    HW2  258   0.112   0.391   0.759  0.2831  0.2421 -3.1275
+   87SOL     OW  259   0.190   2.671   0.180 -0.4785 -0.1890 -0.6401
+   87SOL    HW1  260   0.272   2.705   0.216 -0.7307  2.8002 -2.6232
+   87SOL    HW2  261   0.122   2.711   0.235 -0.6675 -0.5757 -0.5955
+   88SOL     OW  262   1.970   1.611   1.476  0.5061  0.3800 -0.0561
+   88SOL    HW1  263   2.029   1.618   1.401  0.6660 -0.9498 -0.0569
+   88SOL    HW2  264   1.884   1.630   1.440  0.3654 -1.6980 -0.9006
+   89SOL     OW  265   2.346   0.191   2.769 -0.6323  0.2843  0.0256
+   89SOL    HW1  266   2.350   0.287   2.771  0.8042  0.2330  0.4573
+   89SOL    HW2  267   2.394   0.167   2.690 -3.5141 -0.0038 -1.7111
+   90SOL     OW  268   2.150   0.542   2.607  0.1802 -0.1000  0.5634
+   90SOL    HW1  269   2.063   0.507   2.588 -0.1188  1.3287 -0.8234
+   90SOL    HW2  270   2.193   0.547   2.522  0.5911  1.8468  0.8493
+   91SOL     OW  271   2.391   2.660   2.210 -0.6947 -0.4999  0.5139
+   91SOL    HW1  272   2.420   2.687   2.123 -0.4501 -0.0896  0.7179
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+   92SOL     OW  274   0.674   1.216   2.813  0.4036  0.0447  0.5437
+   92SOL    HW1  275   0.689   1.310   2.822  2.1806 -0.3443  1.8461
+   92SOL    HW2  276   0.737   1.176   2.872  0.1209 -2.0061 -0.5176
+   93SOL     OW  277   0.570   2.017   1.016  1.1897 -0.1362 -0.1549
+   93SOL    HW1  278   0.607   1.929   1.027  0.4975 -0.3503  0.4731
+   93SOL    HW2  279   0.636   2.075   1.054  0.3502 -0.6169  2.1183
+   94SOL     OW  280   2.546   2.229   2.205 -0.2403  0.6443 -0.1479
+   94SOL    HW1  281   2.469   2.193   2.161  1.1337 -0.8991 -1.3525
+   94SOL    HW2  282   2.610   2.158   2.204  1.7845  2.4134 -0.6479
+   95SOL     OW  283   0.230   0.567   2.906  0.2690 -0.3295 -0.0540
+   95SOL    HW1  284   0.297   0.548   2.973  1.5674  0.6804 -1.0462
+   95SOL    HW2  285   0.235   0.661   2.893  0.2468 -0.5562 -1.8176
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+   96SOL    HW1  287   2.052   1.744   1.763  0.0143 -1.5643  0.5354
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+   97SOL     OW  289   1.957   1.871   0.557  0.5945  0.0357  0.4997
+   97SOL    HW1  290   2.013   1.939   0.594 -0.4422 -0.1262  2.4734
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+   98SOL     OW  292   1.593   0.589   1.554  0.8541 -0.5041 -0.2376
+   98SOL    HW1  293   1.671   0.536   1.569  0.7158  0.0292  2.5343
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+   99SOL     OW  295  -0.007   0.446   2.862 -0.5165  0.3190 -0.4482
+   99SOL    HW1  296   0.010   0.369   2.916 -1.1653  2.1134  2.4241
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+  100SOL    HW1  299   2.019   0.189   2.751  0.5813  0.3660  0.2678
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+  101SOL    HW1  302   1.843   2.661   0.261 -0.8354  0.1697 -0.0743
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+  102SOL    HW1  305   1.337   2.241   1.899  1.0238 -0.4527 -0.0675
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+  103SOL    HW1  308   0.974   2.011   2.698 -1.4833 -1.4434 -2.4759
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+  104SOL    HW1  311   0.993   0.904   0.403  1.2804 -0.1368  1.1851
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+  105SOL    HW1  314   3.072   0.671   0.609  0.7153 -0.2221  0.7154
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+  107SOL    HW1  320   2.773   1.076   0.366 -1.8697  1.9496  0.9867
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+  108SOL    HW1  323   1.286   0.046   2.909  0.4181  0.4323  2.6932
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+  110SOL    HW1  329   0.660   2.128   2.652  1.3175  0.3172  1.8182
+  110SOL    HW2  330   0.679   2.244   2.556 -1.7973 -1.8402 -1.5494
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+  118SOL    HW1  353   1.958   2.439   2.085 -0.4822  0.8136 -3.0023
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+  125SOL    HW1  374   2.279   1.419   2.941 -0.3485 -1.2481 -0.3772
+  125SOL    HW2  375   2.219   1.527   2.854 -1.0243 -1.0062  0.3860
+  126SOL     OW  376   1.793   0.099   1.126 -0.6289  0.8692  0.3362
+  126SOL    HW1  377   1.866   0.156   1.149  0.1338  0.3230 -0.6944
+  126SOL    HW2  378   1.729   0.114   1.195  0.5925  1.0973  1.4482
+  127SOL     OW  379   1.848   0.464   1.763 -0.3700 -0.4465  0.1361
+  127SOL    HW1  380   1.795   0.503   1.833  0.5626  0.6469  0.2264
+  127SOL    HW2  381   1.914   0.412   1.809  0.0554  0.0292  0.0654
+  128SOL     OW  382   0.872   2.417   0.145  0.2192  0.4270  0.0315
+  128SOL    HW1  383   0.808   2.455   0.205  0.1981 -0.0037  0.2872
+  128SOL    HW2  384   0.844   2.445   0.058  0.6141  1.5813  0.2686
+  129SOL     OW  385   1.580   2.612   2.852 -0.0474  0.2820 -0.6140
+  129SOL    HW1  386   1.547   2.528   2.820 -0.8685  0.5201 -0.4131
+  129SOL    HW2  387   1.650   2.589   2.913  0.2265 -0.2309 -1.1160
+  130SOL     OW  388   0.761   1.081   1.742 -0.2063  0.3757 -0.2269
+  130SOL    HW1  389   0.828   1.025   1.782 -0.4658  0.5029  0.3963
+  130SOL    HW2  390   0.682   1.064   1.794 -0.9921 -0.7290 -1.7436
+  131SOL     OW  391   0.910   1.595   1.545 -0.4671  0.3312  0.4497
+  131SOL    HW1  392   0.984   1.616   1.602  0.1374 -0.0573 -0.1790
+  131SOL    HW2  393   0.899   1.500   1.555  0.4521  0.0433 -1.0128
+  132SOL     OW  394   0.886   3.003   0.676  0.2238 -0.4989 -0.3404
+  132SOL    HW1  395   0.834   2.970   0.749 -0.1021  0.3750 -0.1729
+  132SOL    HW2  396   0.825   3.008   0.603 -0.3300  2.0220  0.2633
+  133SOL     OW  397   1.669   1.079   2.295  0.1928  0.3518  0.5491
+  133SOL    HW1  398   1.625   1.122   2.221  0.3884  0.5974  0.5769
+  133SOL    HW2  399   1.626   1.116   2.372  0.0110  0.1190  0.5603
+  134SOL     OW  400   1.502   2.849   0.796  0.0838 -0.1257 -0.2823
+  134SOL    HW1  401   1.413   2.877   0.774  0.7662  1.2195 -1.4406
+  134SOL    HW2  402   1.540   2.924   0.841  1.2848  0.1060 -1.6222
+  135SOL     OW  403   0.440   0.673   2.023 -0.4249 -0.1471 -0.0354
+  135SOL    HW1  404   0.353   0.652   2.056  0.8697 -2.1394  2.2938
+  135SOL    HW2  405   0.468   0.748   2.075  0.0041 -0.7142  0.5533
+  136SOL     OW  406   0.060   1.977   2.497 -0.2599  0.2956 -0.1523
+  136SOL    HW1  407   0.008   1.903   2.465  0.1459 -0.2632  0.4650
+  136SOL    HW2  408  -0.004   2.043   2.522 -0.5931  0.6110 -1.7939
+  137SOL     OW  409   2.253   2.126   0.356 -0.1107 -0.1191  0.6204
+  137SOL    HW1  410   2.289   2.207   0.320 -0.2320  0.0384  0.8587
+  137SOL    HW2  411   2.286   2.122   0.445  0.1310 -0.4788  0.5175
+  138SOL     OW  412   0.560   1.030   1.002  0.6548 -0.3101 -0.2603
+  138SOL    HW1  413   0.645   1.053   0.966  0.8334 -0.8949 -0.2250
+  138SOL    HW2  414   0.576   0.949   1.050 -0.1581 -1.1004 -1.2811
+  139SOL     OW  415   2.624   0.069   1.799 -0.2251  0.2718 -0.0761
+  139SOL    HW1  416   2.535   0.036   1.791 -0.4281  0.5395  0.9970
+  139SOL    HW2  417   2.643   0.110   1.714 -0.8963 -0.3053 -0.5090
+  140SOL     OW  418   2.790   1.075   2.540  0.1626  0.0035  0.3270
+  140SOL    HW1  419   2.768   0.995   2.589 -1.6919  0.2891 -0.0094
+  140SOL    HW2  420   2.846   1.044   2.468  1.7184 -0.6054  1.7532
+  141SOL     OW  421   2.518   0.191   1.321 -0.3318 -0.3884 -0.4906
+  141SOL    HW1  422   2.428   0.222   1.325 -0.2256 -0.2387  1.0760
+  141SOL    HW2  423   2.515   0.112   1.267 -1.5596 -0.9433  0.3804
+  142SOL     OW  424   0.065   2.016   2.846  0.2765 -1.3270  0.5098
+  142SOL    HW1  425  -0.030   2.024   2.837  0.4670  1.2286  0.2594
+  142SOL    HW2  426   0.092   1.968   2.768 -0.7960 -1.9197  0.4882
+  143SOL     OW  427   0.349   2.342   1.113  0.2644 -0.4552 -0.3457
+  143SOL    HW1  428   0.395   2.354   1.030  0.4620  0.0241 -0.1728
+  143SOL    HW2  429   0.292   2.419   1.120 -0.0722 -0.7157 -0.2476
+  144SOL     OW  430   0.132   0.085   1.721 -0.1319  0.3243 -0.8488
+  144SOL    HW1  431   0.062   0.117   1.665  0.0304 -1.3753 -2.0701
+  144SOL    HW2  432   0.178   0.163   1.750 -2.1211  1.4202 -0.5640
+  145SOL     OW  433   0.260   2.931   1.098  0.0604 -0.0306  0.0149
+  145SOL    HW1  434   0.338   2.897   1.055 -0.3900 -1.9679  0.6507
+  145SOL    HW2  435   0.251   3.020   1.066  1.9886 -0.1135 -0.7982
+  146SOL     OW  436   2.959   0.070   0.425  0.2805 -0.0543  0.2766
+  146SOL    HW1  437   3.017   0.142   0.399 -2.9240  1.5727 -2.7983
+  146SOL    HW2  438   2.922   0.098   0.508  0.6525  0.8573  0.1443
+  147SOL     OW  439   0.999   1.347   1.910 -0.3360 -0.2173  0.0233
+  147SOL    HW1  440   0.953   1.372   1.990 -0.2406  1.4514 -0.4306
+  147SOL    HW2  441   1.055   1.274   1.936  0.7012  1.1624  1.7839
+  148SOL     OW  442   1.034   1.340   2.770 -0.6017  0.2780 -0.2215
+  148SOL    HW1  443   1.033   1.322   2.676 -0.1122 -0.6093 -0.0555
+  148SOL    HW2  444   0.985   1.422   2.779 -0.9108  0.2051 -1.2159
+  149SOL     OW  445   1.080   1.566   1.781  0.1860 -0.1670 -0.1932
+  149SOL    HW1  446   1.085   1.632   1.850 -2.6958  0.0165 -0.0988
+  149SOL    HW2  447   1.051   1.486   1.825 -3.1332  0.3191 -1.3226
+  150SOL     OW  448   1.591   2.076   1.756  0.3972  0.4830  0.4281
+  150SOL    HW1  449   1.590   2.087   1.661  4.5296 -0.8599  0.1518
+  150SOL    HW2  450   1.573   1.983   1.770  1.5998  0.3031  0.8476
+  151SOL     OW  451   2.535   2.428   1.154 -0.0798 -0.6883 -0.2856
+  151SOL    HW1  452   2.568   2.481   1.082 -1.4444  1.6337  0.7595
+  151SOL    HW2  453   2.515   2.491   1.224 -1.5816 -2.5748  1.0431
+  152SOL     OW  454   0.611   0.102   2.808 -0.5931 -0.6803  0.3761
+  152SOL    HW1  455   0.689   0.124   2.860 -0.4295 -2.4263  0.8998
+  152SOL    HW2  456   0.538   0.124   2.866 -0.4584 -0.2135  0.3689
+  153SOL     OW  457   1.250   0.041   2.272 -0.5992  0.2545  0.2823
+  153SOL    HW1  458   1.313   0.099   2.314 -2.0677  0.6635  2.0322
+  153SOL    HW2  459   1.165   0.081   2.292 -1.5355 -1.5971  0.0803
+  154SOL     OW  460   0.765   1.794   2.261 -0.4446  0.0474  0.3890
+  154SOL    HW1  461   0.789   1.727   2.326 -0.4036  0.1156  0.4447
+  154SOL    HW2  462   0.797   1.876   2.299  1.3888 -0.1581 -0.6293
+  155SOL     OW  463   2.222   1.858   2.404 -0.0599  0.0267 -0.2217
+  155SOL    HW1  464   2.229   1.937   2.350  1.3202 -0.2943 -0.5463
+  155SOL    HW2  465   2.143   1.871   2.456  1.0558  2.3856  0.9440
+  156SOL     OW  466   0.924   1.821   2.859 -0.2299 -0.5193  0.1477
+  156SOL    HW1  467   0.836   1.831   2.896  0.3162  1.3189  0.9595
+  156SOL    HW2  468   0.977   1.887   2.904  0.8273  0.6267 -2.7016
+  157SOL     OW  469   2.295   2.047   0.077 -0.0368  0.6113  0.4576
+  157SOL    HW1  470   2.303   2.123   0.018  1.7704  0.4498  0.4614
+  157SOL    HW2  471   2.279   2.085   0.163 -1.3697  0.8919  0.1114
+  158SOL     OW  472   1.184   2.798   1.060  0.3256 -0.7548 -0.4517
+  158SOL    HW1  473   1.140   2.805   0.976  0.8677 -0.1408 -0.6930
+  158SOL    HW2  474   1.265   2.750   1.041 -0.0569 -1.5597 -0.0803
+  159SOL     OW  475   0.336   0.281   1.976  0.0843  0.1360 -0.3258
+  159SOL    HW1  476   0.420   0.298   1.933  0.0981 -1.3986 -0.9300
+  159SOL    HW2  477   0.271   0.294   1.908  0.1272 -2.6374 -0.9609
+  160SOL     OW  478   1.879   2.277   1.645 -0.5046  0.3448 -0.3215
+  160SOL    HW1  479   1.904   2.344   1.581  0.4342  0.9978  0.7039
+  160SOL    HW2  480   1.959   2.263   1.696 -0.7059 -1.5483 -0.5013
+  161SOL     OW  481   1.433   1.788   2.120  0.3227  0.1107  0.0260
+  161SOL    HW1  482   1.450   1.699   2.151 -0.3132 -0.6775 -1.8130
+  161SOL    HW2  483   1.338   1.795   2.118  0.3662  1.3100  1.4331
+  162SOL     OW  484   0.711   2.944   2.215 -0.6489 -0.1577  0.7787
+  162SOL    HW1  485   0.685   3.009   2.281  0.5751  0.7314  0.3958
+  162SOL    HW2  486   0.756   2.876   2.266 -0.7218 -0.0352  1.0099
+  163SOL     OW  487   1.209   0.856   1.531  0.1389  0.1406 -0.2122
+  163SOL    HW1  488   1.272   0.920   1.498 -1.6631  3.0390  1.7002
+  163SOL    HW2  489   1.260   0.799   1.588  1.4434  1.0616 -0.4283
+  164SOL     OW  490   1.463   2.812   2.475  0.4498  0.3617  0.3175
+  164SOL    HW1  491   1.533   2.764   2.519  1.4323  0.3091 -1.2545
+  164SOL    HW2  492   1.505   2.848   2.397 -1.5318 -0.6148 -1.2393
+  165SOL     OW  493   1.028   1.340   0.515 -0.3342  0.5849  0.0074
+  165SOL    HW1  494   1.025   1.420   0.567 -0.0597  0.3713  0.3524
+  165SOL    HW2  495   1.030   1.371   0.424 -1.9748  0.9265  0.0803
+  166SOL     OW  496   0.045   1.193   0.014  0.4298 -0.1837  0.0285
+  166SOL    HW1  497  -0.041   1.228   0.037  0.1888  0.2210 -1.4542
+  166SOL    HW2  498   0.105   1.267   0.026  0.3269 -0.0149 -0.4961
+  167SOL     OW  499   2.801   2.037   2.792  0.2941 -0.3612 -0.0195
+  167SOL    HW1  500   2.731   2.019   2.856 -1.6500  0.4623 -1.8668
+  167SOL    HW2  501   2.785   2.127   2.765  0.7372 -0.9019 -2.1242
+  168SOL     OW  502   2.178   2.055   1.030 -0.1572 -0.4887 -0.7201
+  168SOL    HW1  503   2.212   2.133   0.986  1.6544  0.0400  1.5089
+  168SOL    HW2  504   2.129   2.089   1.104 -0.9271 -1.4208 -0.8007
+  169SOL     OW  505   0.523   2.380   2.486  0.0797 -0.3743  0.2867
+  169SOL    HW1  506   0.428   2.375   2.496  0.1115  0.3835  1.0702
+  169SOL    HW2  507   0.552   2.435   2.560  0.8970  1.1307 -1.1226
+  170SOL     OW  508   1.350   0.654   2.696  0.3665 -0.0753 -0.4240
+  170SOL    HW1  509   1.384   0.648   2.785 -1.5781 -1.1244  0.2885
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+  171SOL     OW  511   2.274   2.087   2.224 -0.0501  0.0437 -0.3146
+  171SOL    HW1  512   2.266   2.177   2.253  1.0216  0.4157 -1.1310
+  171SOL    HW2  513   2.245   2.089   2.132 -2.1950 -0.8708  0.3143
+  172SOL     OW  514   2.804   0.618   2.951 -0.2742 -0.0074 -0.2622
+  172SOL    HW1  515   2.830   0.631   3.042 -0.9645  0.9441 -0.1935
+  172SOL    HW2  516   2.870   0.558   2.916  0.6752  0.5394  0.5460
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+  173SOL    HW1  518   1.250  -0.055   1.115 -0.5047  0.7620  0.0323
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+  174SOL    HW1  521   0.969   2.306   2.598 -0.5607  0.5113 -1.8941
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+  175SOL     OW  523   1.543   2.018   1.027 -0.2716  0.0092 -0.0062
+  175SOL    HW1  524   1.495   2.081   1.080 -1.1531 -0.6484 -0.0175
+  175SOL    HW2  525   1.615   1.989   1.083  0.2880  1.2109 -0.0978
+  176SOL     OW  526   1.402   0.390   0.863 -0.2348  0.1198 -0.2128
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+  177SOL     OW  529   0.267   0.260   1.406 -0.2915  0.1011  0.5121
+  177SOL    HW1  530   0.334   0.209   1.452  0.2794  0.0256 -0.3887
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+  196SOL    HW1  587   1.836   0.953   2.955  1.0369 -0.6229 -0.2031
+  196SOL    HW2  588   1.924   1.037   2.865  1.0375  0.5002  0.8361
+  197SOL     OW  589   2.952   0.702   1.688 -0.5481  0.1028  0.3878
+  197SOL    HW1  590   2.941   0.781   1.634  0.8250 -0.9389 -1.4417
+  197SOL    HW2  591   2.911   0.725   1.771 -1.4791  2.2366 -0.6141
+  198SOL     OW  592   0.712   0.101   0.484  0.1374 -0.0006  0.6362
+  198SOL    HW1  593   0.618   0.117   0.476  0.3389  2.0515  1.9510
+  198SOL    HW2  594   0.747   0.121   0.397 -0.4352  0.8573  0.6016
+  199SOL     OW  595   1.639   2.897   2.230  0.1799  0.0794  0.0594
+  199SOL    HW1  596   1.691   2.819   2.249  1.7078  0.7466 -1.3083
+  199SOL    HW2  597   1.614   2.888   2.138 -0.0655  0.9658  0.0317
+  200SOL     OW  598   2.221   0.723   2.150 -0.1216  0.4056  0.1770
+  200SOL    HW1  599   2.203   0.651   2.211 -0.2554  0.4180  0.1502
+  200SOL    HW2  600   2.160   0.710   2.078 -0.6897  1.0020  0.5428
+  201SOL     OW  601   0.506   0.450   2.439  0.5105 -0.1094 -0.7563
+  201SOL    HW1  602   0.494   0.449   2.344  1.1223  0.0413 -0.8384
+  201SOL    HW2  603   0.557   0.371   2.458 -0.8928 -0.9358 -0.3688
+  202SOL     OW  604   1.550   1.466   0.215  0.3487  0.0960  0.2908
+  202SOL    HW1  605   1.590   1.449   0.301 -0.4695 -2.5629  0.1965
+  202SOL    HW2  606   1.576   1.391   0.162  0.0972  1.2813 -1.5171
+  203SOL     OW  607   0.492   0.177   1.552  0.0247 -0.2521 -0.2258
+  203SOL    HW1  608   0.508   0.101   1.608  2.1813  0.3447  0.0072
+  203SOL    HW2  609   0.493   0.252   1.612  0.7631  0.2376 -0.8431
+  204SOL     OW  610   2.910   1.322   1.050 -0.4416  0.0149  1.0096
+  204SOL    HW1  611   2.978   1.382   1.080  0.3823  0.1552 -1.0162
+  204SOL    HW2  612   2.828   1.368   1.067  0.1166  1.1451  0.7200
+  205SOL     OW  613   1.388   1.801   2.532 -0.5599 -0.0252 -0.3204
+  205SOL    HW1  614   1.426   1.853   2.462 -0.2065 -0.1050 -0.1909
+  205SOL    HW2  615   1.355   1.722   2.488  2.1092 -1.3656 -0.0598
+  206SOL     OW  616   1.748   0.007   2.748 -0.3663  0.0396 -0.2446
+  206SOL    HW1  617   1.832  -0.039   2.750 -1.3458 -1.9242 -2.4054
+  206SOL    HW2  618   1.757   0.069   2.676  0.3171  2.1021  1.5439
+  207SOL     OW  619   0.474   2.787   1.002 -0.6787 -0.2416  0.1200
+  207SOL    HW1  620   0.569   2.786   1.002 -0.6238  2.3858 -0.4926
+  207SOL    HW2  621   0.449   2.783   0.910 -1.2417 -2.9401  0.3418
+  208SOL     OW  622   2.226   1.209   0.006  0.1166 -0.0254  0.2989
+  208SOL    HW1  623   2.227   1.126   0.054 -0.4325  0.3531  0.9546
+  208SOL    HW2  624   2.194   1.273   0.069  0.5340  0.6879 -0.2147
+  209SOL     OW  625   0.730   2.472   0.558  0.0748 -0.3891 -0.1857
+  209SOL    HW1  626   0.710   2.534   0.488 -0.3393  1.0657  1.1979
+  209SOL    HW2  627   0.675   2.396   0.539 -0.9610  0.4921 -0.7640
+  210SOL     OW  628   2.765   0.760   0.663 -0.2204  0.3500  0.4822
+  210SOL    HW1  629   2.772   0.773   0.758 -2.8190 -0.2424  0.8070
+  210SOL    HW2  630   2.734   0.670   0.654  1.0368  0.0462 -0.9972
+  211SOL     OW  631   2.557   0.406   0.298 -0.1116  0.2011 -0.0400
+  211SOL    HW1  632   2.549   0.319   0.337  0.0026 -1.0247 -2.6361
+  211SOL    HW2  633   2.645   0.408   0.261 -0.4730  1.0681 -0.8740
+  212SOL     OW  634   0.353   0.826   0.544 -0.0713  0.0952  0.3536
+  212SOL    HW1  635   0.374   0.842   0.636 -0.3100 -0.2385  0.4691
+  212SOL    HW2  636   0.341   0.913   0.506 -1.5430  0.1953  1.0108
+  213SOL     OW  637   0.798   1.858   0.506 -0.1823  0.4365 -0.2993
+  213SOL    HW1  638   0.713   1.818   0.525  0.6580 -1.8265 -1.1178
+  213SOL    HW2  639   0.841   1.795   0.447  1.3916  2.3393 -1.2292
+  214SOL     OW  640   1.146   1.379   1.454 -0.1448  0.0308 -0.5346
+  214SOL    HW1  641   1.067   1.327   1.466  0.2466 -0.1227  1.7158
+  214SOL    HW2  642   1.216   1.314   1.444  0.6330 -0.0553  4.1897
+  215SOL     OW  643   2.943   1.643   0.289  0.2843  0.4912 -0.5859
+  215SOL    HW1  644   2.976   1.732   0.304 -0.0230  0.5433 -0.2161
+  215SOL    HW2  645   2.850   1.654   0.272 -0.1694  0.0639  1.4582
+  216SOL     OW  646   2.350   0.838   0.585  0.4465 -0.2246  0.1434
+  216SOL    HW1  647   2.404   0.878   0.654  3.4481 -2.8223 -0.5881
+  216SOL    HW2  648   2.370   0.889   0.507 -1.5876  1.5976  0.7897
+  217SOL     OW  649   0.405   1.123   2.756 -0.1061 -0.9226  0.1354
+  217SOL    HW1  650   0.484   1.165   2.791 -0.4136 -1.1268  1.1104
+  217SOL    HW2  651   0.343   1.195   2.744 -0.1188 -0.8952  0.3581
+  218SOL     OW  652   2.375   1.760   0.825  0.0786 -0.1168 -0.1751
+  218SOL    HW1  653   2.424   1.842   0.828 -0.1773  0.0257  0.0710
+  218SOL    HW2  654   2.432   1.700   0.777  0.1739  0.2681 -0.5475
+  219SOL     OW  655   2.069   0.868   2.531 -0.4933  0.6163  0.0817
+  219SOL    HW1  656   2.072   0.928   2.457  1.4593  1.3395  0.7153
+  219SOL    HW2  657   2.159   0.861   2.561 -1.0389 -0.7618  1.5303
+  220SOL     OW  658   1.728   1.279   2.876  0.0943 -0.2387  0.4173
+  220SOL    HW1  659   1.771   1.340   2.816  0.1899 -0.8849 -0.1770
+  220SOL    HW2  660   1.788   1.205   2.882 -0.3139 -0.5519  0.6504
+  221SOL     OW  661   0.287   0.033   0.787  0.6681  0.3871  0.0297
+  221SOL    HW1  662   0.196   0.005   0.793 -0.0976  2.3561 -2.0333
+  221SOL    HW2  663   0.292   0.112   0.841  1.0740  0.4949 -0.1664
+  222SOL     OW  664   0.233   1.350   2.719  0.2494 -0.6598 -0.3159
+  222SOL    HW1  665   0.190   1.434   2.736  3.0876  0.7399  0.1445
+  222SOL    HW2  666   0.254   1.352   2.626  3.9609  0.9882  0.4548
+  223SOL     OW  667   1.594   0.725   2.234  0.0011  0.6894  0.7315
+  223SOL    HW1  668   1.639   0.760   2.311  1.5499  0.1115  0.0874
+  223SOL    HW2  669   1.538   0.656   2.269  1.6083 -0.3970  1.1814
+  224SOL     OW  670   2.004   2.381   0.098 -0.0961  0.1349 -0.1084
+  224SOL    HW1  671   2.034   2.463   0.138  0.0413 -0.2310  0.5441
+  224SOL    HW2  672   1.951   2.339   0.166  0.5016 -0.7011 -0.1531
+  225SOL     OW  673   0.712   0.973   2.285  0.5202 -0.0901  0.3321
+  225SOL    HW1  674   0.669   0.890   2.305 -0.2727  0.6265  1.6582
+  225SOL    HW2  675   0.676   1.035   2.348  0.4977  1.4667 -1.1739
+  226SOL     OW  676   2.342   1.863   1.206  0.4804 -0.1220 -0.0953
+  226SOL    HW1  677   2.431   1.888   1.228  0.3179  0.3741  0.0113
+  226SOL    HW2  678   2.311   1.932   1.147 -0.8399  1.2916  2.1835
+  227SOL     OW  679   1.711   0.995   2.692 -0.1141  0.4063  0.1017
+  227SOL    HW1  680   1.799   1.034   2.700  0.9421 -1.6047 -1.2615
+  227SOL    HW2  681   1.697   0.951   2.775  0.1535  0.7465  0.3312
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+  228SOL    HW1  683   2.815   0.431   1.690  1.3400 -0.8143 -0.0040
+  228SOL    HW2  684   2.891   0.536   1.613  1.1845 -0.2188  0.6482
+  229SOL     OW  685   1.643   1.739   0.487 -0.0419  0.7660  0.1668
+  229SOL    HW1  686   1.650   1.819   0.436  1.2162  0.0702 -0.7819
+  229SOL    HW2  687   1.714   1.684   0.455 -1.2535 -0.9585  0.4135
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+  230SOL    HW1  689   0.855   0.837   2.810  0.5183 -1.4466  0.6506
+  230SOL    HW2  690   0.798   0.866   2.948 -1.8273  1.5088 -0.8900
+  231SOL     OW  691   1.814   0.291   0.465 -0.6504 -0.2531  0.0592
+  231SOL    HW1  692   1.849   0.213   0.508  2.8648  1.9260  1.3174
+  231SOL    HW2  693   1.760   0.333   0.532  1.6318  1.0639  1.1062
+  232SOL     OW  694   1.722   1.441   0.447  0.2056  0.1778 -0.1455
+  232SOL    HW1  695   1.775   1.518   0.428 -1.6341  2.1045  2.0767
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+  233SOL     OW  697   0.854   0.524   1.936  0.2252  0.3305 -0.1648
+  233SOL    HW1  698   0.891   0.454   1.883 -0.0201  1.2438 -1.5546
+  233SOL    HW2  699   0.874   0.604   1.889 -1.8865  0.9904 -0.0149
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+  234SOL    HW1  701   0.408   1.483   1.207 -1.7776 -2.2267  1.2607
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+  235SOL     OW  703   1.572   0.150   1.693 -0.3185  0.5302 -0.7752
+  235SOL    HW1  704   1.617   0.183   1.615  0.2554  3.0614  0.5731
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+  238SOL    HW1  713   1.198   2.018   2.794 -2.0190  3.3006  0.5533
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+  239SOL     OW  715   2.051   0.616   1.712  0.2087 -0.2167  0.9320
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+  267SOL     OW  799   0.369  -0.034   0.540  0.0471 -0.1683 -0.1468
+  267SOL    HW1  800   0.408   0.038   0.490  0.4947 -0.2566  0.0694
+  267SOL    HW2  801   0.360   0.001   0.629 -1.4237  0.2376 -0.4447
+  268SOL     OW  802   2.606   1.526   2.077 -0.0612  0.3988  0.8440
+  268SOL    HW1  803   2.576   1.453   2.023 -0.1262  0.2346  1.1032
+  268SOL    HW2  804   2.570   1.509   2.164 -2.3460  2.1556  0.2705
+  269SOL     OW  805   0.868   2.396   1.487  0.5411  0.7164  0.3680
+  269SOL    HW1  806   0.904   2.323   1.437  2.4449  0.7957  1.5600
+  269SOL    HW2  807   0.799   2.357   1.541 -0.1270  0.2668 -0.8009
+  270SOL     OW  808   0.401   1.188   1.780 -0.1698 -0.3215 -0.3009
+  270SOL    HW1  809   0.442   1.274   1.773  0.9374 -0.8723 -0.5692
+  270SOL    HW2  810   0.450   1.143   1.849 -1.3212 -0.4251  0.4781
+  271SOL     OW  811   1.034   1.179   0.988  0.0228  0.2626 -0.0232
+  271SOL    HW1  812   1.113   1.125   0.985 -0.6614 -0.7527 -0.2266
+  271SOL    HW2  813   1.047   1.244   0.919  0.2067 -0.5767 -0.7914
+  272SOL     OW  814   1.511   2.897   2.825 -0.1543  0.0357 -0.2137
+  272SOL    HW1  815   1.593   2.944   2.808  0.9450 -1.3049  1.1451
+  272SOL    HW2  816   1.538   2.805   2.832 -1.7571 -0.3980  0.3996
+  273SOL     OW  817   0.942   0.242   1.231  0.1778 -0.3506 -0.1631
+  273SOL    HW1  818   0.896   0.324   1.248  0.8201  0.1472 -0.7975
+  273SOL    HW2  819   0.929   0.226   1.137  0.8035 -0.5091 -0.2260
+  274SOL     OW  820   1.339   2.035   2.684  0.5944 -0.4165  0.0314
+  274SOL    HW1  821   1.334   2.106   2.619  3.0452  0.2313  0.5197
+  274SOL    HW2  822   1.347   1.956   2.632 -2.8044 -0.4674 -0.5433
+  275SOL     OW  823   2.315   1.764   0.223  0.0062 -0.0825 -0.1065
+  275SOL    HW1  824   2.322   1.845   0.172  0.0891  0.1950  0.3415
+  275SOL    HW2  825   2.352   1.786   0.308 -0.2745 -0.4982  0.1253
+  276SOL     OW  826   1.687   0.237   2.018  0.6548 -0.2908 -0.3533
+  276SOL    HW1  827   1.612   0.181   1.999 -0.6273  0.7919  1.2988
+  276SOL    HW2  828   1.655   0.326   2.003  2.1337  0.0932 -1.2891
+  277SOL     OW  829   1.920   0.415   2.177  0.4225  0.4180 -0.0682
+  277SOL    HW1  830   1.959   0.488   2.225  1.8036 -0.7035  0.5442
+  277SOL    HW2  831   1.994   0.374   2.131 -0.3471 -0.5286 -0.4771
+  278SOL     OW  832   2.789   1.023   1.198  0.3931  0.6441  0.1659
+  278SOL    HW1  833   2.854   0.953   1.200  1.0328  1.1528 -1.5517
+  278SOL    HW2  834   2.822   1.087   1.262 -0.4038 -0.7508  2.0284
+  279SOL     OW  835   1.301   1.519   0.762  0.2583  0.9587  0.0655
+  279SOL    HW1  836   1.330   1.549   0.675 -1.3636 -1.7999 -1.4988
+  279SOL    HW2  837   1.372   1.464   0.793  0.4413  1.2118  0.1003
+  280SOL     OW  838   0.475   0.238   0.967  0.0328 -0.0887  0.4796
+  280SOL    HW1  839   0.561   0.262   0.934 -1.3355  2.5161 -1.4542
+  280SOL    HW2  840   0.476   0.263   1.060  1.5051 -0.5547  0.5886
+  281SOL     OW  841   2.793   0.112   0.026 -0.0003  0.2984  0.0618
+  281SOL    HW1  842   2.740   0.192   0.034  1.5701  1.4966 -1.2793
+  281SOL    HW2  843   2.767   0.074  -0.058  0.6992  0.4889 -0.2476
+  282SOL     OW  844   0.127   1.497   1.104 -0.2041  0.2000 -0.2329
+  282SOL    HW1  845   0.127   1.550   1.024 -0.4663  1.3720  0.5257
+  282SOL    HW2  846   0.219   1.486   1.127 -0.0654 -1.2793 -1.4200
+  283SOL     OW  847   2.834   1.738   2.121 -0.1024  0.0404  0.4048
+  283SOL    HW1  848   2.878   1.755   2.038  2.3459 -2.6720  1.1100
+  283SOL    HW2  849   2.754   1.691   2.096  1.3663 -2.1153 -0.3263
+  284SOL     OW  850   0.398   1.830   1.282 -0.2785  0.0188 -0.2235
+  284SOL    HW1  851   0.377   1.753   1.334 -0.1192  0.4113  0.4260
+  284SOL    HW2  852   0.472   1.803   1.227 -0.5357 -0.4359 -0.3475
+  285SOL     OW  853   1.421   1.267   1.838  0.6596  0.5852 -0.0876
+  285SOL    HW1  854   1.418   1.230   1.750  0.4205 -0.9788  0.5761
+  285SOL    HW2  855   1.410   1.361   1.824 -0.8573  0.2015 -1.6245
+  286SOL     OW  856   0.728   0.496   0.382 -0.6029  0.6113 -0.3798
+  286SOL    HW1  857   0.800   0.518   0.325  0.1595  0.6565  0.5877
+  286SOL    HW2  858   0.736   0.556   0.456 -0.0028 -1.1688  1.0472
+  287SOL     OW  859   0.719   1.193   0.225 -0.3466  0.2581  0.0055
+  287SOL    HW1  860   0.746   1.107   0.191 -2.0976  0.0980 -1.0276
+  287SOL    HW2  861   0.624   1.188   0.232 -0.3559  1.6904  1.1594
+  288SOL     OW  862   1.500   0.893   1.556 -0.1721 -0.4069 -0.0529
+  288SOL    HW1  863   1.596   0.898   1.549 -0.0372  2.4484  2.5557
+  288SOL    HW2  864   1.484   0.823   1.619  0.2407 -0.7191 -0.2956
+  289SOL     OW  865   1.148   0.623   2.395 -0.3351  0.5544 -0.2286
+  289SOL    HW1  866   1.091   0.619   2.472  1.4843  0.1039  1.1199
+  289SOL    HW2  867   1.137   0.712   2.361  0.8093  1.6236  2.1094
+  290SOL     OW  868   0.758   0.305   0.896 -0.2352 -0.0674 -0.1683
+  290SOL    HW1  869   0.744   0.375   0.959  1.3765  0.8854 -0.8307
+  290SOL    HW2  870   0.845   0.271   0.917 -0.0803 -0.3721 -1.2707
+  291SOL     OW  871   1.608   1.825   1.324  0.2514  0.1392 -0.1045
+  291SOL    HW1  872   1.537   1.762   1.308  0.2409  0.3755 -1.0088
+  291SOL    HW2  873   1.578   1.876   1.399 -0.0654 -0.4537  0.1807
+  292SOL     OW  874   1.515   2.584   1.884 -0.8528  0.1791 -0.1803
+  292SOL    HW1  875   1.507   2.605   1.791 -1.1295 -0.7797 -0.3789
+  292SOL    HW2  876   1.509   2.489   1.888  2.1537 -0.0291  0.4994
+  293SOL     OW  877   1.934   1.020   2.073 -0.3916  0.4680  0.0097
+  293SOL    HW1  878   1.911   1.086   2.007 -0.4405  0.5997  0.1586
+  293SOL    HW2  879   2.011   1.056   2.116  0.4984 -0.2798 -0.9339
+  294SOL     OW  880   1.343   2.242   0.944  0.0376  0.3207  1.3150
+  294SOL    HW1  881   1.290   2.313   0.908  0.3512 -0.1217 -0.0781
+  294SOL    HW2  882   1.389   2.206   0.867 -0.6112 -1.8043  1.9012
+  295SOL     OW  883   1.769   2.641   2.257 -0.3674 -0.0286  0.4302
+  295SOL    HW1  884   1.766   2.549   2.228  0.2102 -0.1638  0.8056
+  295SOL    HW2  885   1.804   2.637   2.346 -0.2082  0.5710  0.3951
+  296SOL     OW  886   2.195   2.406   0.683 -0.0410  0.3986 -0.1189
+  296SOL    HW1  887   2.143   2.461   0.741  2.5766  1.6355  1.1088
+  296SOL    HW2  888   2.229   2.337   0.740 -0.4930 -0.5428 -0.9676
+  297SOL     OW  889   0.568   1.440   1.719 -0.0974  0.5686  0.6329
+  297SOL    HW1  890   0.602   1.519   1.762  1.1021 -0.0219  0.7971
+  297SOL    HW2  891   0.631   1.421   1.650  0.1987 -0.8356  1.2595
+  298SOL     OW  892   0.889   0.314   0.556 -0.7661 -0.2519 -0.3060
+  298SOL    HW1  893   0.830   0.254   0.602 -0.4720  0.1504  0.6100
+  298SOL    HW2  894   0.847   0.329   0.472 -0.6469 -2.0706 -0.7134
+  299SOL     OW  895   2.628   2.471   1.642 -0.0812  0.5001  0.6419
+  299SOL    HW1  896   2.639   2.499   1.551 -1.4093  0.9780  0.6231
+  299SOL    HW2  897   2.716   2.443   1.669  0.0856 -0.8217 -1.1683
+  300SOL     OW  898   1.709   0.367   2.365  0.4358  0.1039 -0.2714
+  300SOL    HW1  899   1.770   0.390   2.295  1.1134  2.1088  0.9156
+  300SOL    HW2  900   1.622   0.377   2.326  0.8283 -2.1349 -1.7793
+  301SOL     OW  901   1.288   1.226   2.624 -0.1522  0.4852  0.2815
+  301SOL    HW1  902   1.249   1.309   2.653 -1.2932 -0.8642  2.8400
+  301SOL    HW2  903   1.231   1.196   2.554 -0.4276  1.2829  0.1598
+  302SOL     OW  904   0.048   0.533   2.508  0.0097 -0.2154  0.3945
+  302SOL    HW1  905   0.140   0.539   2.534  0.0375 -0.1183  0.2751
+  302SOL    HW2  906   0.004   0.595   2.566 -0.1042 -0.8632  1.0123
+  303SOL     OW  907   1.806   1.573   1.085 -0.0592  0.6939 -0.0096
+  303SOL    HW1  908   1.788   1.537   1.172  1.8267  0.8623  0.4676
+  303SOL    HW2  909   1.725   1.619   1.061 -0.9529 -0.2037  1.2119
+  304SOL     OW  910   2.220   0.905   2.771  0.5879  0.1989  0.4610
+  304SOL    HW1  911   2.205   0.951   2.853 -1.3551 -0.0366  0.2573
+  304SOL    HW2  912   2.204   0.813   2.791 -0.5623  0.2166 -0.3279
+  305SOL     OW  913   1.122   0.159   0.686 -0.1566 -0.7068 -0.1785
+  305SOL    HW1  914   1.074   0.235   0.653  0.9628  0.0049 -0.1735
+  305SOL    HW2  915   1.057   0.089   0.686 -1.3074  0.3378  0.1982
+  306SOL     OW  916   1.160   1.011   0.758  1.0151  0.2849  0.6350
+  306SOL    HW1  917   1.181   0.965   0.839  0.8993  0.2893  0.6677
+  306SOL    HW2  918   1.245   1.037   0.722  1.0595  0.3824  0.8120
+  307SOL     OW  919   0.674   2.232   1.654 -0.7420 -0.3711 -0.8243
+  307SOL    HW1  920   0.703   2.183   1.731  0.4678  2.3694  0.5442
+  307SOL    HW2  921   0.613   2.297   1.690 -0.1764  0.9264 -2.1820
+  308SOL     OW  922   1.592   2.099   2.046 -0.1318  0.1321 -0.1991
+  308SOL    HW1  923   1.683   2.085   2.070 -0.2327 -1.5887 -0.7318
+  308SOL    HW2  924   1.583   2.061   1.958 -1.8880 -1.8905  0.8011
+  309SOL     OW  925   2.640   0.078   0.825 -0.4771  0.0161 -0.1904
+  309SOL    HW1  926   2.712   0.105   0.768 -0.4209 -0.3100 -0.2720
+  309SOL    HW2  927   2.597   0.006   0.778  0.2446 -1.0040  0.6832
+  310SOL     OW  928   0.653   1.695   1.461 -0.3591  0.0465  0.3008
+  310SOL    HW1  929   0.742   1.675   1.492 -0.0831  1.4952  0.4954
+  310SOL    HW2  930   0.626   1.771   1.513 -1.2559  0.3513 -0.5852
+  311SOL     OW  931   0.029   1.188   2.433  0.8653  0.0385  0.8610
+  311SOL    HW1  932   0.022   1.151   2.521  0.0890 -1.1567  0.3171
+  311SOL    HW2  933   0.007   1.280   2.444 -1.3792 -0.5376  1.6161
+  312SOL     OW  934   1.085   0.502   1.124 -0.2437 -0.2226 -0.7020
+  312SOL    HW1  935   1.148   0.562   1.164 -0.2820 -0.1459 -0.7550
+  312SOL    HW2  936   1.058   0.547   1.043  0.4752 -0.7646 -1.2478
+  313SOL     OW  937   0.103   0.673   0.944 -0.1475  0.7359 -0.2880
+  313SOL    HW1  938   0.145   0.593   0.911  0.0965  1.0363 -0.6993
+  313SOL    HW2  939   0.174   0.738   0.947 -1.0338  1.8545 -3.0074
+  314SOL     OW  940   1.639   2.094   1.463 -0.3810  0.6029  0.4429
+  314SOL    HW1  941   1.723   2.094   1.417  0.0828  2.9827  1.2308
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+  315SOL     OW  943   1.391   2.856   0.192  0.2159 -0.0831  0.3665
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+  315SOL    HW2  945   1.437   2.799   0.253 -0.8803  0.0661  1.3448
+  316SOL     OW  946   0.902   2.145   1.817 -0.3773  0.2030 -0.1518
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+  316SOL    HW2  948   0.881   2.184   1.902  0.3819  0.5373 -0.1111
+  317SOL     OW  949   1.696   1.938   2.639  0.3642  0.3335 -0.4848
+  317SOL    HW1  950   1.672   2.027   2.666  0.0409 -0.1184  0.7446
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+  318SOL    HW1  953   2.060   0.187   2.311 -1.5236 -0.4473  0.5727
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+  322SOL    HW1  965   0.628   0.701   1.657 -1.1752  1.2620 -1.2919
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+  333SOL     OW  997   0.591   0.332   1.894 -0.1939  0.3698  0.2560
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+  337SOL     OW 1009   0.546   0.721   2.743 -0.5708 -0.3673  0.6427
+  337SOL    HW1 1010   0.596   0.647   2.777  0.7471  1.0458  1.8591
+  337SOL    HW2 1011   0.598   0.798   2.767 -1.7745  0.9354 -0.8429
+  338SOL     OW 1012   2.575   0.600   1.428  0.6431 -0.0819 -0.2669
+  338SOL    HW1 1013   2.498   0.549   1.404  0.1643  0.0927  0.8328
+  338SOL    HW2 1014   2.605   0.560   1.510  1.4241  0.1673 -0.4276
+  339SOL     OW 1015   1.955   0.272   1.948  0.1575 -0.1953  0.2389
+  339SOL    HW1 1016   1.990   0.185   1.965 -0.1905 -0.5911 -0.9812
+  339SOL    HW2 1017   1.866   0.269   1.982 -0.4051 -0.8557 -1.2371
+  340SOL     OW 1018   0.338   2.603   2.773  0.1045  0.3994  0.3622
+  340SOL    HW1 1019   0.370   2.565   2.856 -0.0921  0.6058  0.5315
+  340SOL    HW2 1020   0.334   2.697   2.790  0.9648  0.5372 -0.1835
+  341SOL     OW 1021   0.368   0.227   2.946 -0.3203 -0.0404  0.0467
+  341SOL    HW1 1022   0.277   0.253   2.932 -0.4566  0.7645  2.1987
+  341SOL    HW2 1023   0.370   0.197   3.037  1.6251  0.2659  0.1236
+  342SOL     OW 1024   2.081   2.015   2.722 -0.1192  0.3889 -0.0054
+  342SOL    HW1 1025   2.053   2.053   2.805 -0.4309 -0.4820  0.2824
+  342SOL    HW2 1026   2.152   2.073   2.693 -0.6341  1.2281  0.4061
+  343SOL     OW 1027   2.050   0.157   2.911 -0.6227 -0.2418 -0.3909
+  343SOL    HW1 1028   2.122   0.094   2.906  0.0024  0.4316  0.0212
+  343SOL    HW2 1029   2.039   0.173   3.005 -0.0787  1.0624 -0.5534
+  344SOL     OW 1030   1.919   0.418   2.547  0.2471 -0.0290 -0.8477
+  344SOL    HW1 1031   1.859   0.389   2.479  1.6724 -0.9199 -1.7528
+  344SOL    HW2 1032   1.939   0.339   2.597  1.5737  0.0119 -1.2846
+  345SOL     OW 1033   1.658   1.968   0.176 -0.1608 -0.0820  0.8179
+  345SOL    HW1 1034   1.722   1.985   0.108 -1.9105  0.6592 -0.6858
+  345SOL    HW2 1035   1.628   1.879   0.159 -1.4218  0.4957 -0.1288
+  346SOL     OW 1036   0.628   2.231   0.452 -0.0578  0.1637  0.2460
+  346SOL    HW1 1037   0.680   2.224   0.532 -0.7667  0.2391  0.7172
+  346SOL    HW2 1038   0.557   2.169   0.464 -0.3099  0.3591 -0.2165
+  347SOL     OW 1039   1.929   0.044   0.544 -0.2444 -0.6298  0.8118
+  347SOL    HW1 1040   1.955  -0.036   0.590  1.4206 -0.2805  0.4912
+  347SOL    HW2 1041   1.876   0.013   0.470 -1.8708 -1.2643  2.2126
+  348SOL     OW 1042   1.201   2.422   2.293  0.1201 -0.3881 -0.9077
+  348SOL    HW1 1043   1.182   2.360   2.363  1.3156 -1.5702 -1.6160
+  348SOL    HW2 1044   1.116   2.438   2.251 -0.9255  1.6360  1.8294
+  349SOL     OW 1045   1.075   2.627   1.791  1.0083 -0.1272 -0.1154
+  349SOL    HW1 1046   1.018   2.702   1.779  1.3801  0.2307  0.3294
+  349SOL    HW2 1047   1.100   2.630   1.884  0.1789 -1.4011  0.1543
+  350SOL     OW 1048   2.487   2.866   0.679 -0.0686  0.5297 -0.4854
+  350SOL    HW1 1049   2.436   2.789   0.703  0.4375  0.3611  0.0733
+  350SOL    HW2 1050   2.551   2.833   0.616 -0.5215  0.7038 -1.0415
+  351SOL     OW 1051   1.309   0.497   0.599 -0.6331  0.3383 -0.6212
+  351SOL    HW1 1052   1.369   0.459   0.664 -1.5344  0.0721  0.0540
+  351SOL    HW2 1053   1.271   0.422   0.555 -0.9736  0.4964 -0.5927
+  352SOL     OW 1054   0.724   2.566   2.082 -0.0705 -0.5771 -0.5478
+  352SOL    HW1 1055   0.663   2.595   2.149 -0.8983 -1.7853 -0.7673
+  352SOL    HW2 1056   0.685   2.595   1.999 -0.4083 -1.4675 -0.6976
+  353SOL     OW 1057   0.484   0.642   0.836  0.3113  0.4327 -0.7892
+  353SOL    HW1 1058   0.576   0.659   0.857  0.1787  1.3712 -0.9618
+  353SOL    HW2 1059   0.447   0.728   0.817 -0.7031  0.1002 -0.3564
+  354SOL     OW 1060   1.062   2.979   0.424  0.6559 -0.5283  0.8487
+  354SOL    HW1 1061   0.992   2.920   0.453  0.2939 -0.2110  0.6327
+  354SOL    HW2 1062   1.034   3.065   0.455  1.1195 -0.4492  1.0532
+  355SOL     OW 1063   2.685   1.450   1.166  0.2518  0.5464 -0.4363
+  355SOL    HW1 1064   2.695   1.542   1.193  0.3472  0.2999  0.3839
+  355SOL    HW2 1065   2.696   1.400   1.247 -2.1260 -0.0741 -0.4476
+  356SOL     OW 1066  -0.009   1.479   2.434 -0.2570  0.0350 -0.1496
+  356SOL    HW1 1067  -0.041   1.568   2.424 -0.1889  0.0584 -0.1611
+  356SOL    HW2 1068   0.077   1.489   2.475  0.1620  0.0275 -1.0194
+  357SOL     OW 1069   2.920   1.852   0.682 -0.0048  0.1910 -0.4398
+  357SOL    HW1 1070   2.931   1.757   0.676  2.4890  0.4080  0.1299
+  357SOL    HW2 1071   2.957   1.875   0.768  0.3876  1.8119 -1.0203
+  358SOL     OW 1072   2.705   0.510   0.589 -0.3110  0.2363  0.4645
+  358SOL    HW1 1073   2.707   0.461   0.671 -0.4527  0.9999  0.9321
+  358SOL    HW2 1074   2.736   0.448   0.523 -0.2891 -0.4136  1.0770
+  359SOL     OW 1075   0.320   2.081   1.030  0.2488  0.2610  0.8736
+  359SOL    HW1 1076   0.414   2.068   1.030  0.1733 -0.3691 -0.3480
+  359SOL    HW2 1077   0.308   2.176   1.033  0.9523  0.4401 -1.5064
+  360SOL     OW 1078   0.596   2.589   2.660  0.1501 -0.1412  0.0434
+  360SOL    HW1 1079   0.607   2.681   2.683  0.1009 -0.2324  0.4367
+  360SOL    HW2 1080   0.522   2.560   2.712 -0.6933 -0.0601 -1.0871
+  361SOL     OW 1081   1.800   2.692   1.326 -0.2481  0.8245  0.0776
+  361SOL    HW1 1082   1.833   2.772   1.365  2.8223  0.4792 -1.6266
+  361SOL    HW2 1083   1.758   2.720   1.245  0.8454  0.7327 -0.5293
+  362SOL     OW 1084   0.216   2.336   2.531  0.2181  0.1966 -0.1470
+  362SOL    HW1 1085   0.237   2.257   2.483 -0.2671 -0.1996  0.2917
+  362SOL    HW2 1086   0.168   2.306   2.608 -0.3337  0.9480 -0.1938
+  363SOL     OW 1087   2.781   1.310   0.086  0.6516 -0.2010  0.3921
+  363SOL    HW1 1088   2.779   1.233   0.143 -0.6968  1.4789  2.6551
+  363SOL    HW2 1089   2.703   1.301   0.031 -0.4442  0.3750  1.8155
+  364SOL     OW 1090   1.893   2.259   0.301 -0.3144 -0.2915 -0.0036
+  364SOL    HW1 1091   1.879   2.281   0.393  1.9905  1.2897  0.0001
+  364SOL    HW2 1092   1.949   2.182   0.303 -1.3567 -1.0701 -0.1020
+  365SOL     OW 1093   0.064   1.146   2.750 -0.0792  0.6109 -0.3497
+  365SOL    HW1 1094   0.115   1.226   2.733  0.8193  0.0350 -0.3682
+  365SOL    HW2 1095   0.034   1.156   2.840  1.9712 -0.0706  0.4491
+  366SOL     OW 1096   1.975   2.769   1.824  0.2004 -0.4728 -0.5547
+  366SOL    HW1 1097   2.028   2.761   1.745  1.1759 -0.2073  0.0755
+  366SOL    HW2 1098   1.889   2.797   1.791  0.8247  0.4387 -1.4566
+  367SOL     OW 1099   1.418   1.542   0.518  0.1447 -0.6300  0.4158
+  367SOL    HW1 1100   1.356   1.598   0.470  0.6550 -0.2294  0.2195
+  367SOL    HW2 1101   1.501   1.589   0.513  0.3968 -1.0172  0.9468
+  368SOL     OW 1102   0.396   2.835   1.923 -0.2537 -0.2390 -0.9354
+  368SOL    HW1 1103   0.401   2.904   1.990  1.0921  0.1657 -1.4405
+  368SOL    HW2 1104   0.373   2.756   1.972  3.0301 -0.4392  0.3928
+  369SOL     OW 1105   1.604   2.344   1.046 -0.0706 -0.0454  0.1792
+  369SOL    HW1 1106   1.509   2.329   1.049  0.0329 -0.5386  1.0348
+  369SOL    HW2 1107   1.630   2.355   1.137  0.7832 -0.4203 -0.0125
+  370SOL     OW 1108   0.138   1.124   1.817 -0.9466 -1.3135 -0.4567
+  370SOL    HW1 1109   0.164   1.043   1.860 -0.4300 -1.1521 -0.4684
+  370SOL    HW2 1110   0.219   1.161   1.783 -1.3346 -1.4034 -1.5063
+  371SOL     OW 1111   2.624   1.943   2.989 -1.0083  0.4425  0.0334
+  371SOL    HW1 1112   2.546   1.898   2.957 -0.7354 -0.5951  0.7895
+  371SOL    HW2 1113   2.683   1.873   3.017 -0.0809  1.2331  0.1102
+  372SOL     OW 1114   1.318   2.609   2.090  0.2900 -0.1484  0.0386
+  372SOL    HW1 1115   1.342   2.534   2.145  1.1445 -0.2768 -0.4928
+  372SOL    HW2 1116   1.383   2.608   2.020 -0.3531  0.4476 -0.5727
+  373SOL     OW 1117   0.995   1.415   0.248 -0.1781 -0.0672 -0.0420
+  373SOL    HW1 1118   1.049   1.445   0.174  0.4974 -2.8730 -0.7245
+  373SOL    HW2 1119   0.957   1.333   0.218 -2.1671  0.1695  1.7195
+  374SOL     OW 1120   0.495   1.657   2.492 -0.1345  0.0849  0.4033
+  374SOL    HW1 1121   0.400   1.664   2.495 -0.1470  0.1205 -0.0691
+  374SOL    HW2 1122   0.512   1.585   2.431  0.1847  1.3773 -1.0636
+  375SOL     OW 1123   1.418   2.439   2.693  0.1779  0.0003  0.4865
+  375SOL    HW1 1124   1.339   2.396   2.724  0.3923  0.9876  2.5321
+  375SOL    HW2 1125   1.417   2.428   2.598 -0.9893 -2.3660  0.7511
+  376SOL     OW 1126   1.775   0.913   1.530  0.3726 -0.4554  0.3491
+  376SOL    HW1 1127   1.792   0.985   1.591 -0.2109  1.1242 -1.2786
+  376SOL    HW2 1128   1.853   0.858   1.536 -0.5282 -1.4370  3.9376
+  377SOL     OW 1129   0.960   2.158   0.922 -0.5064  0.2666 -0.3349
+  377SOL    HW1 1130   0.994   2.240   0.958  0.0087 -0.0009 -0.2119
+  377SOL    HW2 1131   0.946   2.102   0.998  2.0845 -0.8705 -0.6566
+  378SOL     OW 1132   2.258   2.145   2.579  0.2964  0.2800  0.3225
+  378SOL    HW1 1133   2.351   2.123   2.574 -0.1254 -1.3978 -0.7452
+  378SOL    HW2 1134   2.240   2.190   2.496  0.0302 -0.0290  0.2069
+  379SOL     OW 1135   2.026   1.449   0.956 -0.2468  0.6164  0.6071
+  379SOL    HW1 1136   2.087   1.521   0.943 -0.0259  0.2898 -0.2050
+  379SOL    HW2 1137   1.956   1.486   1.009  0.5815  1.0293  1.4298
+  380SOL     OW 1138   1.980   1.092   2.653 -0.2472 -0.1266 -0.1142
+  380SOL    HW1 1139   2.010   1.014   2.606 -0.7022 -0.8694  0.8086
+  380SOL    HW2 1140   2.041   1.160   2.628  1.0240 -1.1345  0.1980
+  381SOL     OW 1141   2.612   2.163   0.147 -1.0373  0.1473  0.0537
+  381SOL    HW1 1142   2.609   2.085   0.093 -1.2398 -1.2139  1.9892
+  381SOL    HW2 1143   2.533   2.212   0.122 -0.8270 -0.1713 -1.2728
+  382SOL     OW 1144   0.015   2.963   0.822  0.4468  0.2936  0.5003
+  382SOL    HW1 1145   0.002   2.974   0.917  2.2304  0.5084  0.7360
+  382SOL    HW2 1146   0.016   2.868   0.810  0.4172  0.2613  0.7379
+  383SOL     OW 1147   1.278   1.790   0.483 -0.1004 -0.3480 -0.3574
+  383SOL    HW1 1148   1.236   1.836   0.555 -0.4699 -1.1578 -0.0431
+  383SOL    HW2 1149   1.317   1.859   0.429 -1.3452  0.3765 -0.3397
+  384SOL     OW 1150   1.052   0.802   0.076  0.2980 -0.2170  0.0913
+  384SOL    HW1 1151   1.137   0.837   0.103  0.2907  0.7576 -1.1068
+  384SOL    HW2 1152   1.072   0.742   0.005 -0.2555  2.6129 -2.5805
+  385SOL     OW 1153   2.366   2.968   1.809 -0.1987  0.5780  0.7134
+  385SOL    HW1 1154   2.405   2.901   1.865 -0.2474  1.0196  1.2758
+  385SOL    HW2 1155   2.293   3.003   1.860 -1.3005 -0.1910 -0.3077
+  386SOL     OW 1156   1.428   0.771   0.976  0.3594  0.0032  0.1418
+  386SOL    HW1 1157   1.504   0.749   0.922  1.1810  0.6235  1.0309
+  386SOL    HW2 1158   1.355   0.774   0.915  1.4746  1.8344 -1.1325
+  387SOL     OW 1159   2.625   1.946   2.207 -0.0887 -0.4355  0.6355
+  387SOL    HW1 1160   2.544   1.934   2.158 -0.1928 -0.6902  0.8705
+  387SOL    HW2 1161   2.683   1.878   2.174  0.6339  0.8376 -0.7928
+  388SOL     OW 1162   2.440   1.712   2.399  0.2507  1.1845 -0.2671
+  388SOL    HW1 1163   2.367   1.771   2.380 -0.3610  0.3570 -0.5168
+  388SOL    HW2 1164   2.496   1.761   2.459 -0.0962  2.1307 -0.7164
+  389SOL     OW 1165   0.307   1.638   0.164  0.2566  0.5287  0.0178
+  389SOL    HW1 1166   0.289   1.731   0.150 -1.0968  0.5601  1.7759
+  389SOL    HW2 1167   0.240   1.610   0.226  0.4830 -1.7000 -0.7098
+  390SOL     OW 1168   1.963   0.986   1.261 -0.1132 -0.2060  0.5134
+  390SOL    HW1 1169   1.974   0.941   1.345  2.9070  1.5262  1.1154
+  390SOL    HW2 1170   1.924   1.070   1.283  0.8879  0.3412  0.2398
+  391SOL     OW 1171   0.113   2.689   0.759  0.0585 -0.7470 -0.8959
+  391SOL    HW1 1172   0.122   2.687   0.854 -1.5693  0.2151 -0.7071
+  391SOL    HW2 1173   0.202   2.706   0.727  0.5788 -0.8624  0.4568
+  392SOL     OW 1174   1.401   0.779   1.806 -0.0532 -0.6003 -0.0147
+  392SOL    HW1 1175   1.325   0.752   1.858  0.0852  0.0743  0.5477
+  392SOL    HW2 1176   1.442   0.849   1.857  0.5157 -0.4376 -0.6767
+  393SOL     OW 1177   1.915   2.236   2.369  0.1442  0.0659  0.2608
+  393SOL    HW1 1178   1.886   2.177   2.299 -1.1681 -0.0590  0.9160
+  393SOL    HW2 1179   2.009   2.248   2.351  0.0562 -0.8183 -0.8950
+  394SOL     OW 1180   1.405   1.166   1.596  0.6030  0.3179  0.1958
+  394SOL    HW1 1181   1.427   1.073   1.598  1.7847  0.5810  0.0485
+  394SOL    HW2 1182   1.429   1.194   1.507  0.4697  0.8038  0.3138
+  395SOL     OW 1183   2.055   1.353   0.212 -0.0474 -0.2624 -0.2007
+  395SOL    HW1 1184   2.107   1.342   0.291  0.0255 -1.1014 -0.3541
+  395SOL    HW2 1185   2.058   1.446   0.193  0.4185 -0.1432  0.4547
+  396SOL     OW 1186   0.962   2.061   0.421 -0.0681 -0.4118  0.4035
+  396SOL    HW1 1187   1.019   2.096   0.490  1.4860 -0.9185 -0.5980
+  396SOL    HW2 1188   0.928   1.980   0.458 -0.3293  0.0104  1.1032
+  397SOL     OW 1189   2.636   0.193   1.571 -0.0887  0.0486 -0.0304
+  397SOL    HW1 1190   2.594   0.180   1.486 -0.0611 -1.7597  0.2065
+  397SOL    HW2 1191   2.692   0.270   1.558 -1.8286  1.1925 -0.9556
+  398SOL     OW 1192   2.136   0.077   1.119 -0.2813 -0.0953  0.5509
+  398SOL    HW1 1193   2.162   0.105   1.031 -0.6749 -2.3399 -0.3109
+  398SOL    HW2 1194   2.072   0.143   1.147 -2.1216 -0.7419 -1.9147
+  399SOL     OW 1195   2.685   2.620   2.040 -0.1944  0.3378 -0.3182
+  399SOL    HW1 1196   2.761   2.643   2.095 -1.3272  1.9993  0.5738
+  399SOL    HW2 1197   2.641   2.550   2.089  0.3003 -0.0532 -0.4297
+  400SOL     OW 1198   2.521   0.159   2.565 -0.4253 -0.2835 -0.0920
+  400SOL    HW1 1199   2.556   0.070   2.570  0.0840 -0.0569  0.3467
+  400SOL    HW2 1200   2.517   0.178   2.471  0.1581 -0.4960 -0.1632
+  401SOL     OW 1201   1.034   2.340   0.385  0.3083 -0.4015 -0.3403
+  401SOL    HW1 1202   1.010   2.248   0.374  0.5239 -0.3700 -1.0917
+  401SOL    HW2 1203   1.001   2.383   0.306 -0.4465  0.3034  0.3353
+  402SOL     OW 1204   0.187   0.734   0.356  0.1468  0.8829  0.1495
+  402SOL    HW1 1205   0.253   0.754   0.423 -1.9524 -0.4894  2.7426
+  402SOL    HW2 1206   0.112   0.790   0.380 -0.4251  0.7986 -1.4253
+  403SOL     OW 1207   2.235  -0.004   0.214 -0.0845  0.0440  0.1253
+  403SOL    HW1 1208   2.158   0.053   0.218 -1.3177 -1.5839  0.0456
+  403SOL    HW2 1209   2.263  -0.002   0.123 -1.5908 -1.3459 -0.3934
+  404SOL     OW 1210   2.773   2.120   0.364  0.3087 -0.1123 -0.0781
+  404SOL    HW1 1211   2.724   2.137   0.283  0.5443 -0.1189 -0.2225
+  404SOL    HW2 1212   2.743   2.188   0.424 -0.5504 -0.6641  0.1303
+  405SOL     OW 1213   0.226   1.910   0.247  0.5591  0.1005  0.5419
+  405SOL    HW1 1214   0.301   1.969   0.236  0.7000 -0.2541 -0.4156
+  405SOL    HW2 1215   0.162   1.961   0.297  1.0271  0.7606  0.4646
+  406SOL     OW 1216   1.556   1.135   2.513  0.2592 -0.1590 -0.0327
+  406SOL    HW1 1217   1.496   1.204   2.542 -0.9108 -1.4459  0.6744
+  406SOL    HW2 1218   1.593   1.100   2.595  2.4806  1.0444 -0.4872
+  407SOL     OW 1219   0.507   1.230   2.217 -0.1850 -0.1558 -0.0524
+  407SOL    HW1 1220   0.418   1.266   2.215 -0.8305 -1.6698  0.6328
+  407SOL    HW2 1221   0.501   1.148   2.168  0.4819 -1.0186  1.2807
+  408SOL     OW 1222   1.298   0.413   2.029 -0.0002 -0.2088  0.7857
+  408SOL    HW1 1223   1.328   0.325   2.006 -1.6108 -0.3041 -1.1034
+  408SOL    HW2 1224   1.226   0.398   2.091 -0.7025 -0.2677 -0.0324
+  409SOL     OW 1225   0.835   1.343   1.678 -0.0935  0.2435 -0.2802
+  409SOL    HW1 1226   0.890   1.370   1.752 -0.1136  1.4190 -0.6873
+  409SOL    HW2 1227   0.797   1.260   1.706  1.3465 -0.2449  0.2971
+  410SOL     OW 1228   1.303   0.134   0.885 -0.1223  0.7477 -0.0388
+  410SOL    HW1 1229   1.246   0.107   0.813 -1.8206 -0.0336  1.5527
+  410SOL    HW2 1230   1.392   0.131   0.848 -0.9134 -0.1399 -1.9250
+  411SOL     OW 1231   1.235   0.753   0.515 -0.3088  0.1723  0.6840
+  411SOL    HW1 1232   1.255   0.659   0.517 -0.3240  0.1904  2.3712
+  411SOL    HW2 1233   1.318   0.796   0.533  0.1543  0.5851 -2.1603
+  412SOL     OW 1234   1.929   1.761   0.839 -0.1776  0.0906 -0.6478
+  412SOL    HW1 1235   1.854   1.734   0.892  0.3881 -0.5668 -0.1753
+  412SOL    HW2 1236   2.005   1.725   0.885  0.5190  1.6460 -0.5437
+  413SOL     OW 1237   0.358   2.730   0.660 -0.2615 -0.2549 -0.1198
+  413SOL    HW1 1238   0.378   2.657   0.601 -2.8794  0.4865 -2.0028
+  413SOL    HW2 1239   0.377   2.808   0.609  1.4453  0.4444  1.5024
+  414SOL     OW 1240   2.052   1.446   2.123  0.7959 -0.0163  0.2708
+  414SOL    HW1 1241   2.106   1.525   2.120 -0.0403  0.5358 -0.6731
+  414SOL    HW2 1242   2.094   1.391   2.189  2.8269  0.1716 -0.8091
+  415SOL     OW 1243   0.202   1.303   0.824  0.2637  0.1261 -0.0168
+  415SOL    HW1 1244   0.155   1.385   0.810 -1.5817 -0.7589  0.8353
+  415SOL    HW2 1245   0.250   1.317   0.906  0.0705  0.3964  0.0500
+  416SOL     OW 1246   0.016   0.821   1.211 -0.3179 -0.0919  0.0382
+  416SOL    HW1 1247   0.013   0.756   1.141 -1.4466  1.7569 -1.6871
+  416SOL    HW2 1248   0.045   0.901   1.168  2.2155  0.3145  2.3494
+  417SOL     OW 1249   0.290   1.793   2.697  0.4073 -0.0845  0.0529
+  417SOL    HW1 1250   0.317   1.827   2.612 -2.0673 -0.3955 -0.8791
+  417SOL    HW2 1251   0.336   1.849   2.761  1.9160  0.4384 -1.4567
+  418SOL     OW 1252   0.133   2.821   2.202  0.1755 -0.0483 -0.2895
+  418SOL    HW1 1253   0.150   2.878   2.127  1.7531  1.1724  0.9525
+  418SOL    HW2 1254   0.214   2.771   2.213  0.2350  0.3319  1.0574
+  419SOL     OW 1255   2.855   2.761   2.777  0.6267  0.4209 -1.1808
+  419SOL    HW1 1256   2.931   2.752   2.834 -2.4236 -0.5735  2.9923
+  419SOL    HW2 1257   2.829   2.853   2.785  0.8196  0.5274 -1.7919
+  420SOL     OW 1258   0.344   2.624   1.167 -0.1692 -0.7057 -0.8836
+  420SOL    HW1 1259   0.390   2.660   1.243 -4.0333  2.0155  0.2802
+  420SOL    HW2 1260   0.376   2.677   1.093  1.0830 -1.1179 -0.6521
+  421SOL     OW 1261   2.794   1.412   1.751  0.3003 -0.0232  0.4439
+  421SOL    HW1 1262   2.769   1.327   1.714 -1.8232  0.3408  1.0277
+  421SOL    HW2 1263   2.713   1.450   1.783  1.1565  2.4435 -0.1847
+  422SOL     OW 1264   0.686   2.467   0.827  0.0354 -0.9123  0.2026
+  422SOL    HW1 1265   0.725   2.542   0.873 -0.8272  0.6041 -1.5202
+  422SOL    HW2 1266   0.714   2.477   0.736 -1.4867 -1.7533 -0.3745
+  423SOL     OW 1267   2.846   2.183   1.961  0.1793  0.1054  0.2064
+  423SOL    HW1 1268   2.866   2.272   1.934  3.8407 -0.9875 -1.0165
+  423SOL    HW2 1269   2.902   2.167   2.037  1.0234 -1.7462 -0.7587
+  424SOL     OW 1270   0.658   0.368   1.330 -0.0677  0.4485 -0.3949
+  424SOL    HW1 1271   0.622   0.280   1.339  0.9449  0.1290  0.7714
+  424SOL    HW2 1272   0.668   0.399   1.421  1.3667  1.0032 -0.7275
+  425SOL     OW 1273   1.810   1.233   1.271 -0.5239  0.3668  0.0055
+  425SOL    HW1 1274   1.724   1.196   1.290 -0.6253  0.6613  0.1174
+  425SOL    HW2 1275   1.812   1.240   1.175  0.6834 -2.8018 -0.2642
+  426SOL     OW 1276   2.536   1.396   1.828 -0.0224  0.1004  0.1078
+  426SOL    HW1 1277   2.491   1.313   1.814 -2.5825  0.8705  3.2819
+  426SOL    HW2 1278   2.501   1.454   1.760 -2.7213  0.2347  1.5492
+  427SOL     OW 1279   0.326   2.952   1.375 -0.7061 -0.3663  0.1408
+  427SOL    HW1 1280   0.248   2.927   1.424  0.6209 -3.6992  0.7142
+  427SOL    HW2 1281   0.299   2.950   1.283 -1.7235  0.2152  0.4269
+  428SOL     OW 1282   1.462   1.232   0.457  0.2455 -0.3243  0.1691
+  428SOL    HW1 1283   1.541   1.229   0.403  0.6195 -0.3027  0.7206
+  428SOL    HW2 1284   1.463   1.318   0.497 -0.5040  0.0021 -0.4894
+  429SOL     OW 1285   0.345   2.124   0.436  0.3471  0.0409  0.1820
+  429SOL    HW1 1286   0.316   2.046   0.484 -0.0857  0.5816  0.8160
+  429SOL    HW2 1287   0.308   2.197   0.485 -1.1023  0.5683 -1.6703
+  430SOL     OW 1288   0.218   1.686   2.422  0.0807  0.1954 -0.5318
+  430SOL    HW1 1289   0.207   1.624   2.350 -1.2673  0.1237 -0.2844
+  430SOL    HW2 1290   0.133   1.730   2.428  0.4110  0.6865  0.5607
+  431SOL     OW 1291   1.031   0.815   2.156  0.1745  0.1332  0.0790
+  431SOL    HW1 1292   1.028   0.831   2.061 -0.4795  0.4827  0.1513
+  431SOL    HW2 1293   1.124   0.809   2.177  0.3359  0.4964 -0.5164
+  432SOL     OW 1294   1.356   0.051   2.578  0.5916 -0.3972 -0.0752
+  432SOL    HW1 1295   1.374   0.054   2.673  0.2622  0.8313 -0.0423
+  432SOL    HW2 1296   1.393  -0.032   2.550  0.8612 -0.6959  1.1077
+  433SOL     OW 1297   2.643   2.572   0.909 -0.0465  0.4557  0.0762
+  433SOL    HW1 1298   2.570   2.551   0.852  0.3398 -1.4428  0.2425
+  433SOL    HW2 1299   2.712   2.601   0.849  0.3386 -1.4675 -0.4494
+  434SOL     OW 1300   1.396   2.187   0.018 -0.1999 -0.2746  0.0467
+  434SOL    HW1 1301   1.441   2.110  -0.017  0.7791 -0.0277  0.7322
+  434SOL    HW2 1302   1.327   2.152   0.074  0.1616 -0.6606  0.2541
+  435SOL     OW 1303   1.454   1.008   2.919 -0.1251  0.3188 -0.0619
+  435SOL    HW1 1304   1.491   1.011   3.007 -1.9449 -0.5217  0.7486
+  435SOL    HW2 1305   1.497   1.080   2.873 -0.7567  2.1712  2.1506
+  436SOL     OW 1306   2.513   1.639   0.621  0.4216 -0.3588 -0.1671
+  436SOL    HW1 1307   2.475   1.552   0.637  1.4685 -1.0419 -1.3069
+  436SOL    HW2 1308   2.454   1.679   0.557 -0.7702  0.2748  1.3156
+  437SOL     OW 1309   1.927   2.058   2.070 -0.4284  0.2671 -0.1335
+  437SOL    HW1 1310   1.962   1.976   2.036 -0.0885  1.5366 -2.9870
+  437SOL    HW2 1311   1.988   2.125   2.039 -1.2607  1.7208  1.2805
+  438SOL     OW 1312   2.215   0.371   1.550 -0.7152  0.8896  0.4850
+  438SOL    HW1 1313   2.196   0.301   1.488  0.6663  2.6539 -2.0411
+  438SOL    HW2 1314   2.293   0.341   1.597 -0.7197  0.2804  0.1102
+  439SOL     OW 1315   2.924   2.147   0.132 -0.6430  0.1332  0.0397
+  439SOL    HW1 1316   2.863   2.185   0.069 -0.6598 -1.0444 -0.6850
+  439SOL    HW2 1317   2.879   2.152   0.216 -1.2282  0.3983 -0.2886
+  440SOL     OW 1318   1.222   0.742   0.813 -0.4389  0.3055  0.0959
+  440SOL    HW1 1319   1.152   0.678   0.822  0.6297 -0.9317 -0.2518
+  440SOL    HW2 1320   1.242   0.742   0.719  1.0800 -0.5152  0.4001
+  441SOL     OW 1321   1.622   0.214   2.593  0.3631 -0.5320  0.3421
+  441SOL    HW1 1322   1.564   0.162   2.537 -1.8849  1.1845  0.9923
+  441SOL    HW2 1323   1.665   0.274   2.533 -0.2145 -0.3200  0.1401
+  442SOL     OW 1324   2.394   2.705   0.149 -0.6168 -0.2603  0.0267
+  442SOL    HW1 1325   2.370   2.787   0.193 -1.7273 -1.0616  0.9637
+  442SOL    HW2 1326   2.312   2.675   0.110 -0.5260 -1.6372  0.8908
+  443SOL     OW 1327   0.849   2.479   2.846 -0.7865 -0.7004 -0.0328
+  443SOL    HW1 1328   0.890   2.480   2.759 -1.2516  0.2374 -0.2494
+  443SOL    HW2 1329   0.782   2.411   2.840  0.6352 -2.1812  0.2907
+  444SOL     OW 1330   2.090   1.364   1.808 -0.3956  0.2021 -0.0299
+  444SOL    HW1 1331   2.119   1.415   1.883  0.2174 -1.4522  0.8944
+  444SOL    HW2 1332   2.171   1.336   1.765 -0.7221  0.2117 -0.6620
+  445SOL     OW 1333   0.585   1.449   0.925 -0.5811 -0.0743 -0.0199
+  445SOL    HW1 1334   0.668   1.421   0.964 -1.2658 -1.1889  0.6416
+  445SOL    HW2 1335   0.576   1.394   0.846 -1.0003 -0.4019  0.2557
+  446SOL     OW 1336   0.274   2.102   2.384 -0.3666 -0.2738 -0.4197
+  446SOL    HW1 1337   0.350   2.046   2.401 -0.1756  0.5138  1.4131
+  446SOL    HW2 1338   0.200   2.052   2.419 -0.4550 -0.2028 -0.5066
+  447SOL     OW 1339   1.553   3.007   1.322 -0.1534 -0.6087  0.0079
+  447SOL    HW1 1340   1.553   2.958   1.404  0.9944 -1.7626 -0.6725
+  447SOL    HW2 1341   1.476   2.975   1.275 -1.4799  0.8930  1.1064
+  448SOL     OW 1342   0.198   0.539   1.622 -0.0401  0.1345 -0.9996
+  448SOL    HW1 1343   0.170   0.535   1.530 -3.2128 -0.7564 -0.0285
+  448SOL    HW2 1344   0.141   0.605   1.661 -0.8922 -1.8049  1.0703
+  449SOL     OW 1345   2.532   2.854   2.891  0.1101  0.4302 -0.3902
+  449SOL    HW1 1346   2.564   2.912   2.822 -0.3612  0.4279 -0.6132
+  449SOL    HW2 1347   2.611   2.814   2.928  0.5458  2.2171  0.6695
+  450SOL     OW 1348   0.944   0.901   1.531 -0.0301  0.1832  0.1701
+  450SOL    HW1 1349   0.915   0.880   1.620 -2.8541 -0.2817 -0.7940
+  450SOL    HW2 1350   1.037   0.880   1.530  0.1551  0.7317  3.1675
+  451SOL     OW 1351   1.653   2.687   2.605 -0.1909 -0.2656 -0.2791
+  451SOL    HW1 1352   1.624   2.667   2.695 -0.1515  0.7794 -0.0308
+  451SOL    HW2 1353   1.726   2.747   2.616 -1.6073  1.6429 -1.0617
+  452SOL     OW 1354   1.961   0.648   2.330 -0.6505 -0.0238 -0.4350
+  452SOL    HW1 1355   1.989   0.634   2.421 -1.0724  0.7416 -0.1802
+  452SOL    HW2 1356   1.872   0.684   2.338 -0.7439 -0.0939 -1.1541
+  453SOL     OW 1357   1.425   2.379   0.424 -0.1789  0.0982 -0.0417
+  453SOL    HW1 1358   1.485   2.358   0.496 -0.2680  0.0888  0.0301
+  453SOL    HW2 1359   1.470   2.347   0.346 -1.2029 -2.1830  0.2778
+  454SOL     OW 1360   0.147   0.456   1.253  0.2059  0.1193  0.4047
+  454SOL    HW1 1361   0.220   0.402   1.284  0.1138 -0.4453 -0.3553
+  454SOL    HW2 1362   0.177   0.546   1.267  1.3997 -0.0833 -0.6685
+  455SOL     OW 1363   2.871   0.128   0.664  0.3672  0.2489 -0.8793
+  455SOL    HW1 1364   2.911   0.072   0.730 -0.4132  0.9779  0.2283
+  455SOL    HW2 1365   2.891   0.217   0.692  0.2129  0.5672 -1.7462
+  456SOL     OW 1366   0.801   0.036   0.210  0.0036  0.0812  0.4219
+  456SOL    HW1 1367   0.883  -0.003   0.180 -0.4117  0.0127 -0.6718
+  456SOL    HW2 1368   0.771   0.088   0.136 -0.3670  1.0243  1.2260
+  457SOL     OW 1369   0.877   0.293   1.571 -0.2317  0.3174  0.3091
+  457SOL    HW1 1370   0.872   0.235   1.495  3.8322  1.0867 -0.6844
+  457SOL    HW2 1371   0.875   0.382   1.533 -0.5260  0.7287  1.2836
+  458SOL     OW 1372   0.126   2.124   1.250 -0.3307 -0.5179  0.6206
+  458SOL    HW1 1373   0.094   2.044   1.210 -0.0798 -1.4829  2.2951
+  458SOL    HW2 1374   0.222   2.118   1.242 -0.2662 -0.8262  1.5332
+  459SOL     OW 1375   0.092   2.868   1.528  0.2474 -0.8354 -0.5335
+  459SOL    HW1 1376   0.116   2.931   1.596  0.8948 -1.4956 -0.1410
+  459SOL    HW2 1377   0.016   2.822   1.563 -0.2273 -0.2740 -0.8217
+  460SOL     OW 1378   0.879   0.544   1.460  0.1493 -0.2135  0.2956
+  460SOL    HW1 1379   0.937   0.595   1.403  0.3159 -0.7300  0.0069
+  460SOL    HW2 1380   0.823   0.610   1.502  1.5162  0.3693  1.2456
+  461SOL     OW 1381   1.743   2.754   1.053  0.7832  0.0423  0.5997
+  461SOL    HW1 1382   1.833   2.782   1.035 -0.0812  2.1034 -0.6525
+  461SOL    HW2 1383   1.724   2.689   0.986  0.6300  1.1890 -0.4976
+  462SOL     OW 1384  -0.008   2.539   1.559  0.2991 -0.1693  0.6488
+  462SOL    HW1 1385  -0.064   2.464   1.575 -1.1480  0.8526  0.5126
+  462SOL    HW2 1386   0.074   2.502   1.527  0.4537 -1.7911  2.8509
+  463SOL     OW 1387   2.257   2.117   1.959  0.0788  0.2925 -0.3226
+  463SOL    HW1 1388   2.339   2.070   1.946  0.8544  1.5460 -0.0617
+  463SOL    HW2 1389   2.281   2.209   1.951 -0.9339  0.7700  1.6452
+  464SOL     OW 1390   0.584   1.229   1.387 -0.0514 -0.1385 -0.4737
+  464SOL    HW1 1391   0.588   1.320   1.355 -0.4361  0.0723  0.0809
+  464SOL    HW2 1392   0.671   1.194   1.366  0.0087  0.2701 -0.9433
+  465SOL     OW 1393   1.947   1.357   1.580  0.3567 -0.4088 -0.4165
+  465SOL    HW1 1394   2.010   1.373   1.650  0.6011 -0.7038 -0.5683
+  465SOL    HW2 1395   1.958   1.431   1.520  2.0494 -1.5403 -1.5298
+  466SOL     OW 1396   0.323   1.800   0.518 -0.0058 -0.2642  0.2559
+  466SOL    HW1 1397   0.262   1.733   0.550  1.0806 -2.2435 -1.6881
+  466SOL    HW2 1398   0.294   1.818   0.428  0.2122  1.2989  0.4853
+  467SOL     OW 1399   0.108   1.579   2.716 -0.9527 -0.1757  0.5326
+  467SOL    HW1 1400   0.164   1.651   2.689 -0.1551 -1.3250 -0.9510
+  467SOL    HW2 1401   0.025   1.620   2.738 -1.0857  1.0285 -2.0268
+  468SOL     OW 1402   2.332   2.375   1.970  0.2653 -0.0510  0.1624
+  468SOL    HW1 1403   2.261   2.429   2.005 -0.7209 -0.4650 -1.1664
+  468SOL    HW2 1404   2.361   2.421   1.892  4.3981  2.3986  2.9362
+  469SOL     OW 1405   2.466   0.129   0.375  0.4670 -0.1450 -0.4312
+  469SOL    HW1 1406   2.390   0.119   0.318 -0.0819 -0.6190  0.3733
+  469SOL    HW2 1407   2.432   0.170   0.454  1.0986 -0.1102 -0.1718
+  470SOL     OW 1408   0.576   2.015   2.759 -0.6751  0.3555 -0.1244
+  470SOL    HW1 1409   0.497   1.998   2.811 -0.6018  0.0930 -0.0997
+  470SOL    HW2 1410   0.642   1.956   2.794  0.0288  1.7639  0.9722
+  471SOL     OW 1411   0.664   0.522   2.200 -0.5353  0.3858 -0.0761
+  471SOL    HW1 1412   0.754   0.499   2.176 -0.9947 -0.9987 -0.5059
+  471SOL    HW2 1413   0.630   0.568   2.123 -0.3513  0.4894 -0.0969
+  472SOL     OW 1414   2.620   0.817   1.583 -0.7424 -0.0841  0.3134
+  472SOL    HW1 1415   2.611   0.741   1.526 -0.0635 -0.9910  1.3795
+  472SOL    HW2 1416   2.694   0.866   1.547 -1.7431  0.5676 -0.9035
+  473SOL     OW 1417   1.246   1.887   1.150  0.0524  0.6006 -0.0208
+  473SOL    HW1 1418   1.249   1.832   1.071 -2.2216  0.6309 -0.1739
+  473SOL    HW2 1419   1.281   1.831   1.219 -0.1155 -0.2597 -0.6227
+  474SOL     OW 1420   2.408   0.136   0.963 -0.0951 -0.3866 -0.6248
+  474SOL    HW1 1421   2.489   0.098   0.930  0.9880 -0.0386  1.6135
+  474SOL    HW2 1422   2.402   0.221   0.918 -0.3748 -1.3135 -2.4177
+  475SOL     OW 1423   2.346   2.653   1.229  0.0354  0.1506  0.1864
+  475SOL    HW1 1424   2.290   2.592   1.180  0.4251 -0.2203  0.2065
+  475SOL    HW2 1425   2.420   2.671   1.171  0.9984 -1.0538  1.0214
+  476SOL     OW 1426   2.449   2.962   1.196 -0.3325 -0.3162  0.1329
+  476SOL    HW1 1427   2.485   2.881   1.160  1.3349  0.5927 -0.2992
+  476SOL    HW2 1428   2.394   2.998   1.126  0.8450  0.1309 -0.5740
+  477SOL     OW 1429   2.892   1.739   2.734  0.0509 -0.1493  1.0553
+  477SOL    HW1 1430   2.827   1.669   2.728 -0.6596  0.5299  0.5724
+  477SOL    HW2 1431   2.840   1.820   2.725  0.9347  0.4070  0.9206
+  478SOL     OW 1432   2.522   1.482   2.324  0.3348 -0.1723  0.5510
+  478SOL    HW1 1433   2.556   1.431   2.398  0.5106 -0.1650  0.4749
+  478SOL    HW2 1434   2.481   1.559   2.366 -1.2359 -1.1028  0.7508
+  479SOL     OW 1435   1.316   0.106   1.594  0.3853  1.2669 -0.4661
+  479SOL    HW1 1436   1.240   0.102   1.652  0.3718  1.1957 -0.4887
+  479SOL    HW2 1437   1.284   0.151   1.515  0.3298  1.1095 -0.5331
+  480SOL     OW 1438   2.240   1.630   2.161 -0.3805 -0.0073  0.3580
+  480SOL    HW1 1439   2.274   1.578   2.234  0.8742 -0.0611 -0.2383
+  480SOL    HW2 1440   2.240   1.720   2.193  0.4671  0.0084  0.3320
+  481SOL     OW 1441   0.353   2.403   0.610 -0.1100 -0.1283 -0.0159
+  481SOL    HW1 1442   0.265   2.365   0.608  0.1965 -0.7663 -2.0436
+  481SOL    HW2 1443   0.378   2.400   0.702 -1.2998 -2.0527  0.2774
+  482SOL     OW 1444   1.762   0.695   0.210  0.0597  0.0333 -0.0037
+  482SOL    HW1 1445   1.804   0.718   0.128  0.9673 -1.2945  0.0852
+  482SOL    HW2 1446   1.787   0.604   0.226 -0.8613 -0.0116  1.2709
+  483SOL     OW 1447   2.633   2.080   1.827 -0.1033 -0.3210  0.2879
+  483SOL    HW1 1448   2.686   2.019   1.777  0.3893  2.5438 -2.8464
+  483SOL    HW2 1449   2.694   2.124   1.886 -0.0796 -1.2617  0.9699
+  484SOL     OW 1450   2.850   2.533   0.199  0.1288 -0.3212 -0.0279
+  484SOL    HW1 1451   2.840   2.509   0.291 -1.0752 -0.0318 -0.0711
+  484SOL    HW2 1452   2.797   2.612   0.189 -0.3700 -0.7811 -1.1492
+  485SOL     OW 1453   1.937   0.252   0.769 -0.2881  0.2928 -0.0874
+  485SOL    HW1 1454   1.888   0.175   0.799 -0.3892  0.8429  1.2361
+  485SOL    HW2 1455   1.870   0.320   0.761 -0.3661 -0.0150 -2.2760
+  486SOL     OW 1456   0.521   0.380   0.243 -0.3777  0.2411  0.4672
+  486SOL    HW1 1457   0.585   0.436   0.287 -2.1694  1.2753  1.8020
+  486SOL    HW2 1458   0.499   0.426   0.162 -2.3649  1.8704  1.8874
+  487SOL     OW 1459   0.443   0.220   0.466  0.4690  0.3822  0.5018
+  487SOL    HW1 1460   0.468   0.280   0.395  1.3393 -0.9022 -0.2911
+  487SOL    HW2 1461   0.349   0.234   0.477  0.6413  1.8104  0.2506
+  488SOL     OW 1462   2.021   1.511   2.453  0.5069 -0.4053 -0.0344
+  488SOL    HW1 1463   2.061   1.589   2.491  1.9577 -1.3940  0.5240
+  488SOL    HW2 1464   2.089   1.443   2.460 -0.1368 -1.2927 -1.9838
+  489SOL     OW 1465   1.385   2.144   2.417 -0.0642 -0.0832 -0.2265
+  489SOL    HW1 1466   1.455   2.086   2.387  0.3168  0.3263 -0.1527
+  489SOL    HW2 1467   1.423   2.232   2.410 -0.2128  0.0676  0.7796
+  490SOL     OW 1468   1.776   1.453   2.101  0.3816  0.1222 -0.2516
+  490SOL    HW1 1469   1.756   1.429   2.192 -1.4431  0.7577 -0.4741
+  490SOL    HW2 1470   1.864   1.419   2.087  0.0639 -1.3998  1.2405
+  491SOL     OW 1471   1.254   1.775   0.904 -0.7761  0.0374 -0.3614
+  491SOL    HW1 1472   1.209   1.821   0.833 -1.6545  0.0840  0.2179
+  491SOL    HW2 1473   1.269   1.687   0.869  3.5081  1.5252 -2.5712
+  492SOL     OW 1474   0.982   1.749   2.619  0.2352 -0.1456  0.6718
+  492SOL    HW1 1475   0.971   1.772   2.712 -0.4901 -0.1562  0.5940
+  492SOL    HW2 1476   0.894   1.759   2.582  0.4512 -0.5031  0.0655
+  493SOL     OW 1477   1.440   1.687   2.756 -0.5892 -0.6995  0.0665
+  493SOL    HW1 1478   1.430   1.730   2.671 -0.7738 -0.3129  0.2836
+  493SOL    HW2 1479   1.353   1.652   2.775 -0.0597 -2.6048 -0.8748
+  494SOL     OW 1480   2.225   0.457   2.245  0.5469 -0.4079 -0.2954
+  494SOL    HW1 1481   2.309   0.469   2.290  0.1773 -1.2413  0.6476
+  494SOL    HW2 1482   2.180   0.391   2.297 -0.5330 -0.2599 -1.0328
+  495SOL     OW 1483   2.565   2.028   2.486 -0.1400  0.6539 -0.3168
+  495SOL    HW1 1484   2.571   1.990   2.398 -1.0112  1.4719 -0.7490
+  495SOL    HW2 1485   2.573   1.954   2.545 -0.4836 -0.0311 -1.1192
+  496SOL     OW 1486   2.532   0.719   1.848  0.3771 -0.2075 -0.0667
+  496SOL    HW1 1487   2.458   0.662   1.829 -0.9309  1.1292  0.9005
+  496SOL    HW2 1488   2.546   0.768   1.767  0.2431 -0.5017 -0.2686
+  497SOL     OW 1489   0.637   0.919   1.456 -0.6350 -0.1080 -0.5500
+  497SOL    HW1 1490   0.609   0.996   1.506  1.0204  0.5794 -0.6492
+  497SOL    HW2 1491   0.732   0.929   1.447 -0.5588 -1.5572 -1.5927
+  498SOL     OW 1492   2.592   2.494   2.293 -0.5828  0.1330 -0.1103
+  498SOL    HW1 1493   2.677   2.489   2.336 -0.6894  1.1400  0.2450
+  498SOL    HW2 1494   2.563   2.403   2.284 -0.6483 -0.0916  2.1404
+  499SOL     OW 1495   0.726   2.965   0.879  0.7501 -0.0986  0.4439
+  499SOL    HW1 1496   0.743   2.979   0.972  0.4520  1.5984  0.2655
+  499SOL    HW2 1497   0.694   3.050   0.848 -0.2437 -0.9739 -0.9606
+  500SOL     OW 1498   0.186   1.528   2.208 -0.3478 -0.4315  0.3667
+  500SOL    HW1 1499   0.161   1.441   2.175 -0.4392 -0.0845 -0.4852
+  500SOL    HW2 1500   0.158   1.588   2.139 -0.8402  0.3315  1.2326
+  501SOL     OW 1501   2.030   2.831   1.139  0.0879 -0.5211  0.2545
+  501SOL    HW1 1502   2.081   2.911   1.151 -1.9401  1.3099 -2.6733
+  501SOL    HW2 1503   2.025   2.792   1.226 -0.1276  3.3456  2.0892
+  502SOL     OW 1504   2.411   0.618   2.759 -0.1062  0.3939 -0.6632
+  502SOL    HW1 1505   2.469   0.560   2.710 -1.1254 -1.9160  0.8066
+  502SOL    HW2 1506   2.323   0.589   2.736 -0.6710  2.3946 -1.1024
+  503SOL     OW 1507   2.636   0.333   2.975 -0.5026 -0.6047  0.0396
+  503SOL    HW1 1508   2.596   0.348   2.890 -2.0259 -0.6934  0.7323
+  503SOL    HW2 1509   2.662   0.420   3.005  0.7664 -0.6638 -0.8595
+  504SOL     OW 1510   2.559   0.658   0.410 -0.5274  0.4309  0.3443
+  504SOL    HW1 1511   2.621   0.671   0.482 -1.3709 -0.5944  1.2851
+  504SOL    HW2 1512   2.588   0.577   0.368 -2.5181 -1.3239  2.2107
+  505SOL     OW 1513   0.100   2.250   0.594  0.2032 -0.5287  0.0863
+  505SOL    HW1 1514   0.040   2.307   0.545  1.9550  0.8639 -0.4932
+  505SOL    HW2 1515   0.047   2.215   0.665 -1.5767 -0.1539 -1.0212
+  506SOL     OW 1516   1.767   0.855   2.410 -0.0332 -0.2229  0.1287
+  506SOL    HW1 1517   1.856   0.880   2.438  1.4637 -0.2791 -4.1898
+  506SOL    HW2 1518   1.732   0.935   2.370 -0.5807 -1.1340 -1.2448
+  507SOL     OW 1519   2.204   2.850   2.270  0.5859  0.4003  0.1482
+  507SOL    HW1 1520   2.260   2.777   2.244  1.1145  1.1226 -0.7880
+  507SOL    HW2 1521   2.121   2.833   2.224 -0.1008 -0.8507  1.8087
+  508SOL     OW 1522   0.726   2.082   1.430 -0.2101  0.0422 -0.0646
+  508SOL    HW1 1523   0.701   2.146   1.497  0.3671  0.0474  0.1486
+  508SOL    HW2 1524   0.821   2.090   1.423 -0.0864 -1.0321  0.2182
+  509SOL     OW 1525   2.338   1.075   2.594 -0.3976 -0.4265 -0.1310
+  509SOL    HW1 1526   2.300   1.035   2.672 -1.1022 -0.1230 -0.3181
+  509SOL    HW2 1527   2.371   1.000   2.543 -1.0959 -0.7199 -0.1568
+  510SOL     OW 1528   0.075   0.903   2.658  0.1010 -0.1290 -0.5291
+  510SOL    HW1 1529   0.155   0.893   2.711  0.4416 -0.9523 -1.1732
+  510SOL    HW2 1530   0.052   0.995   2.666  0.4447 -0.1355  0.6306
+  511SOL     OW 1531   2.166   1.708   0.996  0.7363 -0.5152 -0.0745
+  511SOL    HW1 1532   2.249   1.691   0.951 -0.9177  0.2069 -3.5462
+  511SOL    HW2 1533   2.166   1.803   1.011  0.3279 -0.4354 -0.5594
+  512SOL     OW 1534   2.772   2.290   2.697 -0.0959 -0.4903  0.3448
+  512SOL    HW1 1535   2.773   2.365   2.756  0.4466 -0.8295  0.7714
+  512SOL    HW2 1536   2.814   2.322   2.617 -1.0102  0.0262  0.0694
+  513SOL     OW 1537   2.737   0.442   0.881 -0.2773 -0.1188 -0.0532
+  513SOL    HW1 1538   2.798   0.514   0.897  2.0431 -1.7394 -1.2038
+  513SOL    HW2 1539   2.715   0.410   0.968  2.4894 -1.0415  0.3683
+  514SOL     OW 1540   2.762   0.446   2.345  0.0007 -0.2921 -0.3770
+  514SOL    HW1 1541   2.835   0.450   2.407 -0.6358 -0.1242  0.3720
+  514SOL    HW2 1542   2.763   0.356   2.312 -0.3285 -0.6962  0.6993
+  515SOL     OW 1543   2.861   0.321   2.656  0.0987  0.0376 -0.7083
+  515SOL    HW1 1544   2.910   0.390   2.700 -0.2231 -1.6316  2.4190
+  515SOL    HW2 1545   2.919   0.245   2.658 -0.7768 -0.6584 -1.1863
+  516SOL     OW 1546   0.963   2.512   2.215  0.3204  0.3445  0.0152
+  516SOL    HW1 1547   0.910   2.544   2.142  0.4886  2.6012  0.8226
+  516SOL    HW2 1548   0.909   2.530   2.293  1.3711  0.7435  0.6700
+  517SOL     OW 1549   2.732   1.723   1.256  0.6168 -0.4456 -0.0906
+  517SOL    HW1 1550   2.708   1.815   1.248  0.8634 -0.3564  0.1982
+  517SOL    HW2 1551   2.753   1.710   1.348 -2.1928 -1.4996  0.4559
+  518SOL     OW 1552   1.446   2.182   1.270  0.4191 -0.7179 -0.2172
+  518SOL    HW1 1553   1.390   2.119   1.314 -1.9011  0.4131 -1.4251
+  518SOL    HW2 1554   1.432   2.264   1.317 -0.6660  0.0703 -1.8651
+  519SOL     OW 1555   1.892   1.788   3.010  1.3512 -0.1610  0.1086
+  519SOL    HW1 1556   1.909   1.882   3.012  0.9496 -0.0209 -1.8437
+  519SOL    HW2 1557   1.823   1.777   2.945  1.3110 -1.7903  0.3967
+  520SOL     OW 1558   0.827   1.659   0.330 -0.5256  0.4149  0.1328
+  520SOL    HW1 1559   0.821   1.576   0.282  1.4375  1.5387 -2.1249
+  520SOL    HW2 1560   0.920   1.669   0.349 -0.7328  2.1774  0.2824
+  521SOL     OW 1561   1.481   1.543   2.287 -0.5143  0.7088  0.3487
+  521SOL    HW1 1562   1.566   1.535   2.331 -0.3622  2.6295  0.4474
+  521SOL    HW2 1563   1.446   1.454   2.286  0.8677  0.1278  1.5866
+  522SOL     OW 1564   1.798   2.807   0.712 -0.2357 -0.1392 -0.2616
+  522SOL    HW1 1565   1.703   2.802   0.718 -0.1672 -0.0752  1.1001
+  522SOL    HW2 1566   1.822   2.877   0.773  0.6859 -0.1408 -0.6119
+  523SOL     OW 1567   0.371   0.885   1.441  0.0538 -0.5426  0.6011
+  523SOL    HW1 1568   0.466   0.894   1.451  0.3945 -1.2670 -1.6766
+  523SOL    HW2 1569   0.341   0.973   1.418  0.6492 -0.9511 -1.8966
+  524SOL     OW 1570   2.857   1.203   1.376  0.1486 -0.1512  0.1382
+  524SOL    HW1 1571   2.900   1.289   1.375 -0.0255 -0.0351  1.9107
+  524SOL    HW2 1572   2.896   1.158   1.451  0.1223 -1.5719 -0.6876
+  525SOL     OW 1573   1.640   0.731   0.452  0.3262 -0.1874 -0.1921
+  525SOL    HW1 1574   1.554   0.706   0.419  0.5047 -0.0871 -0.7493
+  525SOL    HW2 1575   1.700   0.711   0.379  0.9850 -1.7244  0.7465
+  526SOL     OW 1576   2.934   1.983   1.567 -0.3570  0.4482 -0.0717
+  526SOL    HW1 1577   3.004   2.038   1.532 -1.0291  1.3510 -0.0018
+  526SOL    HW2 1578   2.979   1.920   1.623  0.4294  0.8211 -0.2749
+  527SOL     OW 1579   1.172   0.371   2.294 -0.5135 -0.4838  0.0479
+  527SOL    HW1 1580   1.153   0.465   2.304  1.2444  0.0415 -1.3705
+  527SOL    HW2 1581   1.245   0.356   2.353  1.7194 -0.0964 -2.5518
+  528SOL     OW 1582   2.455   1.923   1.973 -0.0821 -0.3738 -0.3552
+  528SOL    HW1 1583   2.438   1.835   1.938  0.8982 -0.5020 -0.5228
+  528SOL    HW2 1584   2.525   1.958   1.918  0.0400  0.2229  0.1732
+  529SOL     OW 1585   0.631   1.473   1.287 -0.1103  0.4172 -0.5823
+  529SOL    HW1 1586   0.658   1.558   1.322  1.6740 -0.6323  0.7058
+  529SOL    HW2 1587   0.685   1.461   1.209  1.2203 -0.4302  0.4249
+  530SOL     OW 1588   1.522   1.817   1.843 -0.9918  0.2679 -0.1985
+  530SOL    HW1 1589   1.555   1.728   1.831 -2.2468 -0.2023 -0.3229
+  530SOL    HW2 1590   1.505   1.824   1.937 -0.3887  0.5670 -0.1085
+  531SOL     OW 1591   2.712   2.245   1.247 -0.0023  0.1080 -0.1166
+  531SOL    HW1 1592   2.644   2.306   1.218  0.4044  0.5926 -0.0588
+  531SOL    HW2 1593   2.768   2.297   1.303  1.1950  0.0701 -1.2482
+  532SOL     OW 1594   0.592   2.677   2.311  0.1246 -0.2837 -0.1788
+  532SOL    HW1 1595   0.579   2.758   2.360 -1.2058 -0.6783  0.1483
+  532SOL    HW2 1596   0.659   2.629   2.360  0.8975  0.5999 -0.3629
+  533SOL     OW 1597   2.785   1.715   0.018  0.3979 -0.1788 -0.8064
+  533SOL    HW1 1598   2.870   1.755   0.033 -0.3449  1.3772 -0.6070
+  533SOL    HW2 1599   2.803   1.621   0.006  2.1411  0.1772 -1.0101
+  534SOL     OW 1600   1.014   1.952   0.177 -0.1355  0.2268  0.6614
+  534SOL    HW1 1601   1.033   1.861   0.199  2.0845  0.7077  0.8803
+  534SOL    HW2 1602   0.967   1.986   0.254 -1.0092 -0.7379  0.5590
+  535SOL     OW 1603   1.162   2.186   1.155  0.3791  0.4495 -0.0622
+  535SOL    HW1 1604   1.199   2.109   1.199  1.0281  0.1303 -1.1406
+  535SOL    HW2 1605   1.218   2.199   1.078 -1.3785  0.3520 -1.3845
+  536SOL     OW 1606   0.505   2.504   1.470  0.1327  0.0672  0.1175
+  536SOL    HW1 1607   0.509   2.584   1.418  0.3043  2.2230  3.3051
+  536SOL    HW2 1608   0.565   2.519   1.543 -0.1102 -2.8362  0.9931
+  537SOL     OW 1609   1.430   2.421   1.386  0.1863  0.7721 -1.0886
+  537SOL    HW1 1610   1.497   2.449   1.449  0.7326 -2.6876 -0.0054
+  537SOL    HW2 1611   1.347   2.448   1.426  0.6651  0.5948  0.0492
+  538SOL     OW 1612   0.690   1.414   0.097 -0.4506 -0.0930  0.1051
+  538SOL    HW1 1613   0.707   1.326   0.131 -0.2511  0.1853  0.7238
+  538SOL    HW2 1614   0.771   1.439   0.054 -0.5547 -0.2641 -0.1970
+  539SOL     OW 1615   0.089   2.201   1.509  0.6397  0.1879  0.3958
+  539SOL    HW1 1616   0.117   2.162   1.426  0.8560 -0.5124  0.7983
+  539SOL    HW2 1617   0.151   2.273   1.523  1.8761 -0.9634  0.9606
+  540SOL     OW 1618   1.857   1.727   1.703 -0.1991 -0.0673 -0.1961
+  540SOL    HW1 1619   1.886   1.683   1.623  0.8140  0.4509 -0.1103
+  540SOL    HW2 1620   1.777   1.680   1.727  0.4970 -1.4455 -0.4820
+  541SOL     OW 1621   0.843   2.035   2.361  0.0329 -0.4030 -0.0670
+  541SOL    HW1 1622   0.938   2.036   2.371 -0.0091 -0.1464  0.3092
+  541SOL    HW2 1623   0.810   2.084   2.436 -0.3812 -0.1809 -0.3934
+  542SOL     OW 1624   1.613   1.172   0.233  0.5696  0.4998  0.1094
+  542SOL    HW1 1625   1.582   1.081   0.243 -0.0028  0.5789 -0.8070
+  542SOL    HW2 1626   1.708   1.164   0.224  0.6891  0.1305  1.6296
+  543SOL     OW 1627   0.642   2.329   2.250  0.1307 -0.1753 -0.3050
+  543SOL    HW1 1628   0.661   2.408   2.199  1.8702 -0.1087  0.4249
+  543SOL    HW2 1629   0.611   2.362   2.334 -1.5384 -0.2844 -0.8683
+  544SOL     OW 1630   1.986   0.989   1.753  0.6143 -0.2658 -0.2227
+  544SOL    HW1 1631   2.031   1.021   1.674 -1.9614 -0.0580 -1.6607
+  544SOL    HW2 1632   1.975   1.068   1.807  0.4702  0.0068 -0.6418
+  545SOL     OW 1633   2.542   1.209   2.954  0.6583 -0.7272 -0.6192
+  545SOL    HW1 1634   2.537   1.139   3.018  1.4325  0.8581  1.2404
+  545SOL    HW2 1635   2.452   1.223   2.926 -0.0751  0.2442  2.0611
+  546SOL     OW 1636   1.247   1.189   0.310  0.3256  0.6672  0.9056
+  546SOL    HW1 1637   1.327   1.181   0.363  0.4242  1.6929  0.9212
+  546SOL    HW2 1638   1.187   1.238   0.365  0.1926  1.1620  0.3246
+  547SOL     OW 1639   1.913   0.962   0.425  0.3856  0.3071  0.1143
+  547SOL    HW1 1640   1.914   1.028   0.355  1.1887 -0.2236 -0.3906
+  547SOL    HW2 1641   1.823   0.963   0.458 -0.3410 -0.3401 -1.7974
+  548SOL     OW 1642   2.434   1.419   0.173 -0.0110 -0.3205 -0.3425
+  548SOL    HW1 1643   2.511   1.473   0.157 -1.4273  1.2696 -2.0311
+  548SOL    HW2 1644   2.372   1.478   0.217 -1.0127 -0.9949 -0.8149
+  549SOL     OW 1645   1.365   1.310   2.232  1.0051 -0.3464 -0.0531
+  549SOL    HW1 1646   1.410   1.278   2.153  1.1549  0.1034 -0.1531
+  549SOL    HW2 1647   1.297   1.245   2.249  0.5715 -0.1239 -0.9158
+  550SOL     OW 1648   2.500   0.827   2.929  0.1332 -0.1350 -0.2040
+  550SOL    HW1 1649   2.470   0.744   2.892 -2.6752  1.1644 -0.9827
+  550SOL    HW2 1650   2.547   0.802   3.009  0.6132 -2.5501 -1.2070
+  551SOL     OW 1651   1.314   0.844   2.192 -0.2933 -0.4410 -0.2233
+  551SOL    HW1 1652   1.337   0.886   2.275 -3.8021 -0.2859  0.7529
+  551SOL    HW2 1653   1.395   0.803   2.163  1.6130  1.5139  2.0714
+  552SOL     OW 1654   0.167   1.583   0.865  0.4086  0.4575  0.0493
+  552SOL    HW1 1655   0.216   1.664   0.881  1.9159 -0.4160 -0.0296
+  552SOL    HW2 1656   0.106   1.605   0.795  1.8888  1.1028 -1.0570
+  553SOL     OW 1657   1.165   1.930   2.199  0.0762  0.2541  0.3556
+  553SOL    HW1 1658   1.163   1.988   2.275  0.8172 -0.6371  1.0724
+  553SOL    HW2 1659   1.141   1.844   2.234 -0.6293  0.0506 -0.6190
+  554SOL     OW 1660   2.322   2.240   1.410  0.1687  0.4718 -0.1195
+  554SOL    HW1 1661   2.389   2.245   1.342  0.0238  1.2814 -0.2083
+  554SOL    HW2 1662   2.370   2.216   1.489  0.7391  2.1123  0.0549
+  555SOL     OW 1663   1.022   0.263   0.976  0.1359 -0.3515  0.7125
+  555SOL    HW1 1664   1.111   0.235   0.958 -0.0274 -0.3953 -0.0764
+  555SOL    HW2 1665   1.031   0.338   1.035  0.6706 -0.6387  0.9938
+  556SOL     OW 1666   2.521   0.879   2.667 -0.4155 -0.4463  0.1987
+  556SOL    HW1 1667   2.616   0.870   2.663 -0.3960  0.0588 -0.7933
+  556SOL    HW2 1668   2.500   0.886   2.760  0.4115 -1.6897  0.4728
+  557SOL     OW 1669   1.890   2.323   0.584  0.0709  0.2647 -0.4795
+  557SOL    HW1 1670   1.833   2.297   0.657  1.6160  0.1339  0.7232
+  557SOL    HW2 1671   1.891   2.419   0.587 -2.0016  0.3580 -2.0427
+  558SOL     OW 1672   2.315   2.040   0.601 -0.0022 -0.1694 -0.2495
+  558SOL    HW1 1673   2.383   2.008   0.661 -1.1530 -1.9126  0.1725
+  558SOL    HW2 1674   2.241   2.060   0.658  0.4151  2.5327 -0.6204
+  559SOL     OW 1675   2.201   0.984   2.285 -0.1684 -0.7678 -0.5853
+  559SOL    HW1 1676   2.200   0.899   2.240  1.3724 -0.3443 -1.4858
+  559SOL    HW2 1677   2.288   1.019   2.267 -0.5832  0.7577  0.2685
+  560SOL     OW 1678   1.938   1.976   1.369  0.1127 -0.4965  0.6958
+  560SOL    HW1 1679   2.012   1.916   1.358  1.4647  0.8759  2.1381
+  560SOL    HW2 1680   1.912   1.966   1.460  0.2859  1.0102  0.9226
+  561SOL     OW 1681   1.963   2.535   0.323  0.1445  0.3982 -0.0410
+  561SOL    HW1 1682   2.045   2.577   0.347  1.2420 -0.7099 -1.7026
+  561SOL    HW2 1683   1.980   2.441   0.332 -0.5810  0.1085 -1.4143
+  562SOL     OW 1684   2.557   0.197   2.262  0.2980 -0.1170  0.3265
+  562SOL    HW1 1685   2.645   0.165   2.277 -0.1431 -1.0553  0.9580
+  562SOL    HW2 1686   2.563   0.246   2.180  1.5990  0.6511  0.8609
+  563SOL     OW 1687   2.708   0.676   1.176  0.2779  0.1598 -0.1788
+  563SOL    HW1 1688   2.692   0.637   1.262  0.9440 -0.5091 -0.3553
+  563SOL    HW2 1689   2.648   0.751   1.172 -0.7257 -0.6008  0.3210
+  564SOL     OW 1690   1.465   0.497   2.296 -0.8623 -0.1910 -0.5235
+  564SOL    HW1 1691   1.421   0.466   2.375 -1.6820  1.4287 -0.3396
+  564SOL    HW2 1692   1.400   0.486   2.226 -0.5430 -0.5060 -0.7768
+  565SOL     OW 1693   0.547   2.961   0.261  0.2597  0.1987 -0.0327
+  565SOL    HW1 1694   0.549   2.875   0.218 -0.8508 -0.8948  1.9870
+  565SOL    HW2 1695   0.637   2.993   0.256  0.0563  0.3307 -3.5234
+  566SOL     OW 1696   2.235   1.244   0.420 -0.2131 -0.4982 -0.2464
+  566SOL    HW1 1697   2.193   1.301   0.485 -2.0401 -2.7121  0.5720
+  566SOL    HW2 1698   2.313   1.211   0.465 -0.7199 -0.9185  0.3457
+  567SOL     OW 1699   2.948   1.378   0.370  0.4529 -0.5965  0.2790
+  567SOL    HW1 1700   2.912   1.464   0.347 -1.1751 -1.1048  0.8497
+  567SOL    HW2 1701   2.915   1.320   0.301 -0.4314 -1.2078  1.2109
+  568SOL     OW 1702   1.699   1.740   2.834 -0.0886 -0.2478 -0.5335
+  568SOL    HW1 1703   1.700   1.823   2.786 -0.6481 -0.6122 -1.1825
+  568SOL    HW2 1704   1.611   1.705   2.820  0.7864 -1.9456 -1.9885
+  569SOL     OW 1705   1.911   0.684   0.755  0.1503  0.2315  0.1708
+  569SOL    HW1 1706   1.993   0.717   0.717  0.7005 -1.4751 -0.1890
+  569SOL    HW2 1707   1.934   0.662   0.845 -0.6761  2.4847  0.9682
+  570SOL     OW 1708   2.203   0.493   0.083 -0.3250 -0.0056 -0.3113
+  570SOL    HW1 1709   2.232   0.548   0.156  0.1765 -0.6530 -0.0236
+  570SOL    HW2 1710   2.274   0.429   0.071 -0.9989 -0.7155 -0.5163
+  571SOL     OW 1711   0.374   1.549   2.914 -0.4528 -0.1723 -0.4331
+  571SOL    HW1 1712   0.354   1.578   3.003  0.1988 -0.6538 -0.1287
+  571SOL    HW2 1713   0.360   1.626   2.860  0.9101  0.6273  0.3193
+  572SOL     OW 1714   1.575   2.247   0.233  0.1986  0.1819 -0.4563
+  572SOL    HW1 1715   1.649   2.190   0.214 -0.2854 -0.3525 -0.7674
+  572SOL    HW2 1716   1.520   2.243   0.155 -1.0055 -0.7765  0.4095
+  573SOL     OW 1717   0.500   2.753   1.362 -0.1623  0.3835 -0.4420
+  573SOL    HW1 1718   0.581   2.799   1.383  0.8014 -0.8790 -1.2549
+  573SOL    HW2 1719   0.431   2.816   1.380  1.1369  2.4476 -2.3167
+  574SOL     OW 1720   2.121   1.716   1.272  0.6183  0.5478 -0.0374
+  574SOL    HW1 1721   2.190   1.776   1.243  1.0454  0.0842  0.0183
+  574SOL    HW2 1722   2.094   1.669   1.194 -0.3509  1.4461 -0.2563
+  575SOL     OW 1723   1.523   0.401   2.804 -0.0833  0.5520  0.3967
+  575SOL    HW1 1724   1.561   0.321   2.767 -0.2743  0.4001  0.5247
+  575SOL    HW2 1725   1.437   0.407   2.763  0.7398  1.8254 -1.1985
+  576SOL     OW 1726   1.110   1.598   2.426 -0.1037 -0.3846 -0.0842
+  576SOL    HW1 1727   1.083   1.516   2.466 -0.9600  0.1624  0.4835
+  576SOL    HW2 1728   1.078   1.665   2.487 -0.0911  0.3890 -0.9266
+  577SOL     OW 1729   1.364   1.214   0.707 -0.1265  0.3101 -0.0461
+  577SOL    HW1 1730   1.432   1.274   0.738  0.4349  0.5707 -1.7499
+  577SOL    HW2 1731   1.378   1.208   0.613  0.9941 -3.9910  0.2862
+  578SOL     OW 1732   0.198   0.257   2.597 -0.1211  0.3901  0.9675
+  578SOL    HW1 1733   0.178   0.350   2.585  0.0951  0.5314  1.6974
+  578SOL    HW2 1734   0.275   0.242   2.543 -1.3797  0.1507 -0.7998
+  579SOL     OW 1735   0.226   0.643   2.254  0.1026 -0.0523  0.8284
+  579SOL    HW1 1736   0.192   0.589   2.326 -2.1526  0.5428  0.2639
+  579SOL    HW2 1737   0.274   0.713   2.298  0.4762 -0.8195  1.6700
+  580SOL     OW 1738   2.565   2.297   0.802  0.1673 -0.4036 -0.1713
+  580SOL    HW1 1739   2.654   2.310   0.835  0.0451  1.6057 -0.5589
+  580SOL    HW2 1740   2.552   2.202   0.803  1.3664 -0.5692  2.3505
+  581SOL     OW 1741   2.229   0.739   1.272 -0.0464 -0.2596 -0.0038
+  581SOL    HW1 1742   2.263   0.815   1.225 -0.1633 -0.8079 -0.9811
+  581SOL    HW2 1743   2.242   0.760   1.365 -0.9376  1.3547 -0.2387
+  582SOL     OW 1744   0.806   2.751   2.866  0.3651 -0.6017  0.4379
+  582SOL    HW1 1745   0.876   2.817   2.866 -0.0729 -0.0950 -1.4173
+  582SOL    HW2 1746   0.852   2.667   2.860  0.8305 -0.2474 -1.3044
+  583SOL     OW 1747   0.861   2.180   2.092  0.1850 -0.5154 -0.1468
+  583SOL    HW1 1748   0.899   2.143   2.172  0.1071 -0.4999 -0.1035
+  583SOL    HW2 1749   0.822   2.263   2.119 -1.2249 -1.2603  0.1041
+  584SOL     OW 1750   1.208   1.608   2.178 -0.3894  0.3091 -0.5068
+  584SOL    HW1 1751   1.172   1.584   2.264 -0.0863  1.3994 -0.0695
+  584SOL    HW2 1752   1.298   1.575   2.180  0.1939  1.9182  0.2951
+  585SOL     OW 1753   2.205   0.173   0.629  0.0159 -0.0705  0.0468
+  585SOL    HW1 1754   2.122   0.151   0.587 -0.4738  1.4752  0.1648
+  585SOL    HW2 1755   2.246   0.236   0.570 -1.2046  3.0331  2.3396
+  586SOL     OW 1756   0.793   0.704   0.576 -0.0665  0.2600  0.0395
+  586SOL    HW1 1757   0.876   0.721   0.531  0.4653 -1.4191  0.3491
+  586SOL    HW2 1758   0.813   0.718   0.669 -0.2367  0.2722  0.0733
+  587SOL     OW 1759   0.711   1.304   2.368 -0.1867  0.5370  0.0539
+  587SOL    HW1 1760   0.712   1.238   2.437 -1.7206  1.0151  0.5472
+  587SOL    HW2 1761   0.628   1.290   2.322  0.1410  1.1894 -0.7595
+  588SOL     OW 1762   2.380   2.541   1.754 -0.0360 -0.3991  0.3424
+  588SOL    HW1 1763   2.328   2.553   1.675 -0.3987 -0.8043  0.5175
+  588SOL    HW2 1764   2.466   2.515   1.722 -0.2279 -0.7271  0.0841
+  589SOL     OW 1765   0.946   2.392   1.096  0.0651  0.6304  0.0753
+  589SOL    HW1 1766   0.933   2.476   1.140  1.3219  0.2738  1.1672
+  589SOL    HW2 1767   1.041   2.378   1.098 -0.1333 -0.8321 -0.0536
+  590SOL     OW 1768   1.990   0.762   1.475 -0.0647  0.5250  0.0421
+  590SOL    HW1 1769   1.968   0.689   1.532 -0.7078  0.4417 -0.3086
+  590SOL    HW2 1770   2.085   0.760   1.469 -0.1326 -1.0651 -0.9689
+  591SOL     OW 1771   2.395   1.673   1.940 -0.9223  0.1149 -0.0936
+  591SOL    HW1 1772   2.326   1.645   2.000 -1.2971 -0.7956 -0.9440
+  591SOL    HW2 1773   2.467   1.611   1.956 -0.7628  0.3001 -0.0933
+  592SOL     OW 1774   2.886   0.777   2.075  0.5737  0.4036 -0.1285
+  592SOL    HW1 1775   2.837   0.833   2.135 -0.5644  0.8657 -1.4641
+  592SOL    HW2 1776   2.841   0.692   2.079  0.5508  0.4090 -0.2603
+  593SOL     OW 1777   0.639   0.184   2.408  0.4329  0.1543  0.4046
+  593SOL    HW1 1778   0.668   0.117   2.470  0.2229  1.1946  1.6454
+  593SOL    HW2 1779   0.714   0.242   2.398  0.3337  0.2159  0.0064
+  594SOL     OW 1780   0.670   1.786   2.929  1.1594 -0.0626 -0.4459
+  594SOL    HW1 1781   0.644   1.704   2.886 -1.5831  0.3202  0.3770
+  594SOL    HW2 1782   0.645   1.773   3.021  1.3538  1.4205 -0.1749
+  595SOL     OW 1783   0.080   0.934   0.535  0.2183 -0.1023 -0.1103
+  595SOL    HW1 1784   0.145   1.003   0.517 -0.5834  0.8783  0.6394
+  595SOL    HW2 1785   0.054   0.950   0.626 -1.2519 -0.3271 -0.4805
+  596SOL     OW 1786   2.609   2.478   0.581 -0.2095 -0.1130 -0.2746
+  596SOL    HW1 1787   2.591   2.571   0.597  1.0363  0.3335 -1.3926
+  596SOL    HW2 1788   2.579   2.434   0.660 -0.3299  1.3011  0.4812
+  597SOL     OW 1789   2.475   1.138   2.267 -0.2606  0.0695 -0.5001
+  597SOL    HW1 1790   2.554   1.090   2.244  0.6420  2.1303 -1.8271
+  597SOL    HW2 1791   2.505   1.204   2.330 -1.3463 -0.5902  0.7365
+  598SOL     OW 1792   0.477   0.941   0.119  0.3725  0.8179 -0.1176
+  598SOL    HW1 1793   0.465   1.024   0.165  1.0662  0.7028  0.2852
+  598SOL    HW2 1794   0.571   0.924   0.126 -0.2249 -1.6609  2.6866
+  599SOL     OW 1795   1.081   1.716   0.317  0.2331  0.0352  0.2335
+  599SOL    HW1 1796   1.130   1.669   0.249 -1.9551 -3.0846  0.6869
+  599SOL    HW2 1797   1.141   1.723   0.390  0.8284 -1.5601 -0.0813
+  600SOL     OW 1798   0.092   1.850   1.184 -0.3471 -0.2445  0.1612
+  600SOL    HW1 1799   0.068   1.795   1.258 -1.2895  1.5944  1.2583
+  600SOL    HW2 1800   0.187   1.840   1.176 -0.4236 -1.5176  0.7293
+  601SOL     OW 1801   2.634   2.594   1.379  0.5501 -0.6284  0.2773
+  601SOL    HW1 1802   2.593   2.678   1.400  1.7682 -0.4145  1.9142
+  601SOL    HW2 1803   2.710   2.617   1.326  0.5202 -0.7642  0.1754
+  602SOL     OW 1804   2.173   2.338   2.303  0.4351  0.2748  0.3912
+  602SOL    HW1 1805   2.241   2.386   2.350 -0.4376  0.9493  0.9692
+  602SOL    HW2 1806   2.132   2.403   2.246 -1.5760  0.5367  2.0716
+  603SOL     OW 1807   1.220   1.238   0.051 -0.4896 -0.1475  0.2904
+  603SOL    HW1 1808   1.226   1.217   0.144  0.5824 -0.2526  0.2087
+  603SOL    HW2 1809   1.299   1.289   0.033 -0.4486 -0.5295 -0.6666
+  604SOL     OW 1810   2.919   1.360   2.186 -0.0270  0.3397 -0.4969
+  604SOL    HW1 1811   2.954   1.366   2.276  1.5538  0.2416 -1.0812
+  604SOL    HW2 1812   2.839   1.412   2.188  0.5699  1.2449  0.7065
+  605SOL     OW 1813   0.832   1.391   1.095  0.0925  0.2874  0.1733
+  605SOL    HW1 1814   0.885   1.313   1.080 -0.9228 -0.2940 -0.4628
+  605SOL    HW2 1815   0.887   1.463   1.067  0.6963 -0.2800 -0.1130
+  606SOL     OW 1816   0.299   0.128   0.201  0.4989  0.0658  0.0047
+  606SOL    HW1 1817   0.365   0.059   0.203  0.3681 -0.0613 -0.1155
+  606SOL    HW2 1818   0.297   0.163   0.290 -2.0498 -2.5304  1.0360
+  607SOL     OW 1819   0.462   2.313   0.877  0.4378  0.0711  0.1577
+  607SOL    HW1 1820   0.527   2.371   0.836  0.4191 -0.2596 -0.3501
+  607SOL    HW2 1821   0.500   2.226   0.869  0.1272 -0.0720  0.2546
+  608SOL     OW 1822   1.732   0.498   0.616  0.0843 -0.4359 -0.3353
+  608SOL    HW1 1823   1.817   0.531   0.647  0.1193 -0.5128 -0.3487
+  608SOL    HW2 1824   1.687   0.575   0.583  0.1734 -0.4042 -0.3841
+  609SOL     OW 1825   2.740   1.275   0.577 -0.2663 -0.1368 -0.2121
+  609SOL    HW1 1826   2.802   1.294   0.507 -0.0901  0.7468  0.1626
+  609SOL    HW2 1827   2.705   1.361   0.602 -0.4966 -0.4599  0.6229
+  610SOL     OW 1828   0.629   2.690   1.873 -0.6123  0.0260  0.0283
+  610SOL    HW1 1829   0.569   2.758   1.903 -2.3411 -1.5226  0.1428
+  610SOL    HW2 1830   0.636   2.703   1.779 -0.9360  0.3631  0.0499
+  611SOL     OW 1831   0.498   1.913   2.321 -0.4389 -0.3376 -0.6189
+  611SOL    HW1 1832   0.556   1.954   2.257  1.5498  0.4111  1.5975
+  611SOL    HW2 1833   0.519   1.820   2.316 -0.6361 -0.3444 -1.3843
+  612SOL     OW 1834   0.480   2.498  -0.008  0.0790 -0.1114  0.4328
+  612SOL    HW1 1835   0.444   2.467   0.075 -0.3076  0.3864  0.4532
+  612SOL    HW2 1836   0.541   2.430  -0.035 -0.9166 -0.9850  0.3753
+  613SOL     OW 1837   0.714   2.535   1.220 -0.0934  0.3417 -0.4389
+  613SOL    HW1 1838   0.660   2.456   1.225 -0.3801  0.5215 -0.7173
+  613SOL    HW2 1839   0.691   2.575   1.136 -0.0535  0.7978 -0.2323
+  614SOL     OW 1840   0.052   1.099   1.538  0.4510  0.5551  0.4410
+  614SOL    HW1 1841   0.081   1.091   1.629  0.1004  0.6948  0.5672
+  614SOL    HW2 1842   0.133   1.098   1.487  0.6201 -0.0625  0.7154
+  615SOL     OW 1843   0.325   0.031   2.121 -0.0159  0.5118  0.5192
+  615SOL    HW1 1844   0.331   0.115   2.076 -0.0278 -0.3598 -1.1395
+  615SOL    HW2 1845   0.310   0.055   2.213 -0.8705  2.3078 -0.0474
+  616SOL     OW 1846   2.083   0.878   0.639  0.4767  0.2733 -0.5109
+  616SOL    HW1 1847   2.174   0.850   0.624 -0.2660 -2.4735 -0.1771
+  616SOL    HW2 1848   2.040   0.864   0.554  0.1443  0.6860 -0.4110
+  617SOL     OW 1849   0.183   0.466   0.264  0.1125  0.2843 -0.2362
+  617SOL    HW1 1850   0.154   0.544   0.312  0.0718 -0.4564  0.9414
+  617SOL    HW2 1851   0.253   0.498   0.207  0.6528  1.0257  0.8353
+  618SOL     OW 1852   2.264   0.772   1.533  0.1801 -0.1079  0.1343
+  618SOL    HW1 1853   2.227   0.723   1.607 -1.1654  1.3676  0.4768
+  618SOL    HW2 1854   2.337   0.821   1.571 -1.1739  1.4794  0.7562
+  619SOL     OW 1855   1.553   2.834   1.984 -0.2469 -0.2634  0.5265
+  619SOL    HW1 1856   1.531   2.741   1.985 -0.0909 -0.2971  1.2854
+  619SOL    HW2 1857   1.478   2.876   1.941 -1.2216 -0.5266  1.9286
+  620SOL     OW 1858   1.840   0.860   1.052  0.9123 -0.0078  0.1342
+  620SOL    HW1 1859   1.881   0.909   1.123  1.3463 -0.7469  0.3993
+  620SOL    HW2 1860   1.824   0.773   1.088  1.3275 -0.4524 -0.7266
+  621SOL     OW 1861   0.791   1.365   2.094 -0.1760  0.2218 -0.1105
+  621SOL    HW1 1862   0.736   1.428   2.047  0.7483  0.6288 -0.6552
+  621SOL    HW2 1863   0.752   1.360   2.181 -1.4599  0.0255 -0.6739
+  622SOL     OW 1864   1.537   1.549   1.552  0.1777  0.3128  0.1333
+  622SOL    HW1 1865   1.516   1.639   1.526 -2.2693 -0.9773 -2.5519
+  622SOL    HW2 1866   1.471   1.527   1.617  0.9131  0.5192  0.9543
+  623SOL     OW 1867   0.260   0.348   2.216 -0.5398  0.0514  0.3176
+  623SOL    HW1 1868   0.245   0.442   2.220  1.3372  0.3935 -0.2413
+  623SOL    HW2 1869   0.298   0.333   2.130  0.3822 -1.0366  0.9026
+  624SOL     OW 1870   1.055   2.939   0.113 -0.3456  0.4390 -0.1168
+  624SOL    HW1 1871   1.070   2.848   0.139 -0.2759  0.3926 -0.3218
+  624SOL    HW2 1872   1.119   2.988   0.165 -0.1644  0.3391 -0.2420
+  625SOL     OW 1873   1.202   1.110   1.915  0.4328 -0.1714 -0.0729
+  625SOL    HW1 1874   1.189   1.127   2.009 -0.1123 -0.5866 -0.0681
+  625SOL    HW2 1875   1.296   1.123   1.901  0.5875 -0.4818  0.6146
+  626SOL     OW 1876   2.508   1.503   2.698 -0.3741 -0.4025 -0.4365
+  626SOL    HW1 1877   2.429   1.483   2.750  1.2651 -1.0573  1.8936
+  626SOL    HW2 1878   2.522   1.424   2.645  0.0537 -1.2447  0.9058
+  627SOL     OW 1879   2.286   1.747   1.539  0.1481  0.4400 -0.2504
+  627SOL    HW1 1880   2.207   1.722   1.490  1.2705 -0.9446 -1.4084
+  627SOL    HW2 1881   2.266   1.726   1.630 -1.6069  2.1327 -0.2085
+  628SOL     OW 1882  -0.000   1.741   1.416 -0.4155 -0.2300 -0.6245
+  628SOL    HW1 1883  -0.019   1.834   1.427 -0.4742 -0.1885 -1.0568
+  628SOL    HW2 1884   0.051   1.717   1.493 -1.4397 -0.1259  0.0950
+  629SOL     OW 1885   1.369   2.582   0.766  0.0319 -0.2125 -0.1558
+  629SOL    HW1 1886   1.423   2.513   0.730  3.3390  1.0133  2.1373
+  629SOL    HW2 1887   1.384   2.658   0.709 -0.9629 -0.4248 -0.7215
+  630SOL     OW 1888   0.628   1.518   2.800  0.0610  0.0246  0.3544
+  630SOL    HW1 1889   0.609   1.534   2.708  0.0692  2.0920  0.6830
+  630SOL    HW2 1890   0.542   1.504   2.840 -0.0780  0.6947  0.2999
+  631SOL     OW 1891   1.544   1.944   2.326  0.0078  0.2458  0.1634
+  631SOL    HW1 1892   1.495   1.932   2.245 -0.0733 -0.7657  0.3560
+  631SOL    HW2 1893   1.635   1.957   2.298  0.1295 -0.9886 -0.0639
+  632SOL     OW 1894   2.609   2.755   1.114 -0.2558 -0.0396 -0.1412
+  632SOL    HW1 1895   2.616   2.712   1.029  0.3282  0.7436 -0.4958
+  632SOL    HW2 1896   2.698   2.753   1.149 -0.9238 -2.6564  1.6092
+  633SOL     OW 1897   0.665   1.596   2.061  0.3548 -0.2560 -0.1159
+  633SOL    HW1 1898   0.684   1.650   2.138 -1.4372 -1.2463  1.0282
+  633SOL    HW2 1899   0.669   1.658   1.988  2.2027  0.6652  0.7121
+  634SOL     OW 1900   1.734   0.549   2.018  0.0925  0.8101 -0.2877
+  634SOL    HW1 1901   1.794   0.482   2.052  1.0084  1.5609 -0.3827
+  634SOL    HW2 1902   1.713   0.603   2.094 -0.3732  0.6144 -0.2785
+  635SOL     OW 1903   2.879   0.416   1.307  0.2094 -0.8890 -0.6234
+  635SOL    HW1 1904   2.964   0.436   1.268  0.2873  0.9771  0.4593
+  635SOL    HW2 1905   2.886   0.449   1.396 -0.5092 -3.7247  0.5139
+  636SOL     OW 1906   0.578   1.449   0.580  0.3701  0.2285 -0.4530
+  636SOL    HW1 1907   0.576   1.458   0.485 -0.7937 -0.7415 -0.5315
+  636SOL    HW2 1908   0.589   1.355   0.596 -0.7726  0.2154  0.3558
+  637SOL     OW 1909   1.693   2.486   0.093 -0.2554 -0.3547  0.0549
+  637SOL    HW1 1910   1.689   2.443   0.179 -1.2658  0.5047  0.4461
+  637SOL    HW2 1911   1.670   2.417   0.031  1.5413 -1.2678  0.3571
+  638SOL     OW 1912   2.100   1.108   1.528 -0.0393 -0.2126  0.1852
+  638SOL    HW1 1913   2.183   1.124   1.484 -1.1650 -0.8696 -2.2908
+  638SOL    HW2 1914   2.066   1.195   1.548  0.3637  0.1014 -0.5022
+  639SOL     OW 1915   2.778   0.820   2.715  0.1278 -0.9905 -0.5264
+  639SOL    HW1 1916   2.766   0.758   2.786  1.2384  1.8272  2.2477
+  639SOL    HW2 1917   2.872   0.822   2.700 -0.0630 -1.2527 -1.8054
+  640SOL     OW 1918   3.004   1.604   0.635 -0.1055  0.3466  0.0553
+  640SOL    HW1 1919   3.065   1.594   0.562  0.6594 -1.1621  0.8752
+  640SOL    HW2 1920   2.925   1.558   0.607  0.3106 -0.5275  0.3179
+  641SOL     OW 1921   1.827   1.218   0.988  0.5786 -0.0283  0.6370
+  641SOL    HW1 1922   1.869   1.293   0.945 -1.3639  0.1077 -1.1500
+  641SOL    HW2 1923   1.839   1.146   0.926 -1.0525 -0.1904  0.4994
+  642SOL     OW 1924   2.108   2.980   2.495 -0.0882  0.3335  0.2281
+  642SOL    HW1 1925   2.075   2.903   2.540  0.6085  0.7576  1.4876
+  642SOL    HW2 1926   2.146   2.947   2.414  0.6797 -0.7111  1.0103
+  643SOL     OW 1927   0.596   2.736   0.082  0.4764 -0.9604  0.0015
+  643SOL    HW1 1928   0.542   2.659   0.065 -0.8911  0.1232 -0.6844
+  643SOL    HW2 1929   0.624   2.765  -0.005  1.3749 -0.9407  0.2874
+  644SOL     OW 1930   2.841   2.726   1.268 -0.0227  0.0818  0.4262
+  644SOL    HW1 1931   2.930   2.694   1.282  0.8952  0.8534 -3.0645
+  644SOL    HW2 1932   2.844   2.818   1.294  1.2705  1.1228 -3.1601
+  645SOL     OW 1933   2.085   2.278   2.863 -0.3703  0.1861 -0.1978
+  645SOL    HW1 1934   2.073   2.315   2.950 -0.2323 -0.7495  0.2305
+  645SOL    HW2 1935   2.180   2.275   2.850 -0.2003 -3.1122  1.1761
+  646SOL     OW 1936   2.166   2.487   1.112 -0.2522 -0.2332  0.0711
+  646SOL    HW1 1937   2.120   2.408   1.141 -1.3834  1.2015  2.3560
+  646SOL    HW2 1938   2.106   2.529   1.051 -0.0875 -0.6047 -0.3491
+  647SOL     OW 1939   1.692   2.566   0.882 -0.0794  0.8088  0.5562
+  647SOL    HW1 1940   1.661   2.585   0.793  2.2913 -1.3245 -0.8204
+  647SOL    HW2 1941   1.635   2.495   0.912  0.5901 -0.0891 -0.2372
+  648SOL     OW 1942   0.423   2.076   1.459  0.2162  0.5268 -0.0788
+  648SOL    HW1 1943   0.436   2.017   1.385 -2.8517  1.7108 -1.6369
+  648SOL    HW2 1944   0.449   2.163   1.426 -1.7294  1.1616  0.0154
+  649SOL     OW 1945   2.781   0.541   2.065 -0.1422  0.5575 -0.0108
+  649SOL    HW1 1946   2.699   0.527   2.017 -0.4996  0.8101  0.5119
+  649SOL    HW2 1947   2.765   0.503   2.152  0.9983 -1.1735 -0.5278
+  650SOL     OW 1948   0.707   2.913   1.496 -0.1625 -0.5834  0.1426
+  650SOL    HW1 1949   0.653   2.970   1.551 -0.1917  0.2740 -0.7660
+  650SOL    HW2 1950   0.792   2.956   1.493  0.9436 -2.4940  2.4784
+  651SOL     OW 1951   2.667   2.741   0.509  0.3129  0.0613 -0.0013
+  651SOL    HW1 1952   2.689   2.826   0.469 -0.0354 -0.1414 -0.6227
+  651SOL    HW2 1953   2.658   2.681   0.436  1.1949 -0.6720  0.4780
+  652SOL     OW 1954   0.769   1.882   1.252 -0.3526 -0.2092 -0.1713
+  652SOL    HW1 1955   0.758   1.964   1.301  0.3037 -0.7474  0.9060
+  652SOL    HW2 1956   0.727   1.816   1.307 -1.7799 -0.4479 -1.5209
+  653SOL     OW 1957   2.829   0.027   1.323 -0.1292 -0.1495  0.1319
+  653SOL    HW1 1958   2.902   0.072   1.367  0.0432 -1.7781  1.5511
+  653SOL    HW2 1959   2.820   0.073   1.240  1.3009  1.2789  0.7321
+  654SOL     OW 1960   0.355   0.128   2.386 -0.3015  0.2305  0.0242
+  654SOL    HW1 1961   0.411   0.199   2.354 -0.0124  0.4587  1.0114
+  654SOL    HW2 1962   0.410   0.050   2.383 -0.3829  0.1883 -0.3575
+  655SOL     OW 1963   2.686  -0.026   0.344 -0.3710 -0.4499 -0.4592
+  655SOL    HW1 1964   2.617   0.040   0.349  1.2970  1.3018  0.0570
+  655SOL    HW2 1965   2.761   0.014   0.389  0.5933 -2.8137  0.1482
+  656SOL     OW 1966   2.537   1.260   2.526  0.3054 -0.1612 -0.3116
+  656SOL    HW1 1967   2.465   1.218   2.574 -1.0815 -0.3780 -2.4948
+  656SOL    HW2 1968   2.612   1.203   2.542  0.0507  0.1368  2.1133
+  657SOL     OW 1969   1.288   2.079   1.992 -0.5391 -0.2615 -0.4600
+  657SOL    HW1 1970   1.232   2.022   2.046 -0.9347  2.2606  1.9062
+  657SOL    HW2 1971   1.376   2.068   2.031 -0.2579 -0.6708 -1.2055
+  658SOL     OW 1972   0.272   2.076   1.686  0.2596 -0.3011 -0.1119
+  658SOL    HW1 1973   0.349   2.088   1.630 -0.0706 -1.8185 -0.9268
+  658SOL    HW2 1974   0.199   2.107   1.632  0.3080  1.4540  0.7858
+  659SOL     OW 1975   2.567   1.776   2.634  0.1742 -0.4802  0.3554
+  659SOL    HW1 1976   2.501   1.807   2.696  0.4872 -1.1470  1.0314
+  659SOL    HW2 1977   2.577   1.683   2.654  0.4833 -0.6415 -0.5144
+  660SOL     OW 1978   0.490   2.406   1.782 -0.1592 -0.0490 -0.2448
+  660SOL    HW1 1979   0.416   2.466   1.779 -0.0158  0.2261  1.4463
+  660SOL    HW2 1980   0.546   2.439   1.853  0.2674 -1.7609  0.2459
+  661SOL     OW 1981   0.339   2.639   2.158  0.2375  0.1590 -0.0433
+  661SOL    HW1 1982   0.407   2.646   2.226  0.1288 -0.2245  0.1089
+  661SOL    HW2 1983   0.328   2.545   2.146  0.6007  0.2274 -0.9425
+  662SOL     OW 1984   1.885   2.983   0.894 -0.2529  0.2326 -0.2306
+  662SOL    HW1 1985   1.980   2.967   0.893 -0.1662  0.6169  1.2543
+  662SOL    HW2 1986   1.865   3.006   0.984 -2.0005 -1.1581 -0.2330
+  663SOL     OW 1987   1.030   1.058   0.514 -0.3592  0.5315 -0.1436
+  663SOL    HW1 1988   1.014   1.148   0.541  0.1047  0.9369 -1.2274
+  663SOL    HW2 1989   1.078   1.019   0.588  0.7036  1.5782 -0.2696
+  664SOL     OW 1990   1.137   1.897   0.680 -0.4445 -0.3860 -0.6966
+  664SOL    HW1 1991   1.055   1.856   0.708 -0.8821  0.6462 -0.4158
+  664SOL    HW2 1992   1.114   1.990   0.670  0.6527 -0.1218 -0.7667
+  665SOL     OW 1993   2.847   0.716   0.222 -0.3542 -0.3293 -0.4072
+  665SOL    HW1 1994   2.926   0.768   0.211  0.8282 -1.8793  0.5528
+  665SOL    HW2 1995   2.790   0.770   0.277  2.0695 -1.2611  3.1462
+  666SOL     OW 1996   1.891   1.124   0.208  0.4964 -0.0243  0.9390
+  666SOL    HW1 1997   1.946   1.202   0.216 -0.0411  0.5178 -0.3704
+  666SOL    HW2 1998   1.895   1.102   0.114  1.2692 -2.0326  1.4204
+  667SOL     OW 1999   0.897   1.093   2.130  0.1292 -0.2672 -0.0119
+  667SOL    HW1 2000   0.855   1.031   2.190  1.2266 -0.9488  0.0626
+  667SOL    HW2 2001   0.825   1.145   2.095 -0.5269  0.2001  1.9622
+  668SOL     OW 2002   1.072   0.539   1.700 -0.3308 -0.3180  0.0142
+  668SOL    HW1 2003   1.047   0.457   1.743  2.8516 -1.2568  0.2003
+  668SOL    HW2 2004   1.052   0.525   1.608  1.2073 -1.7765 -0.1251
+  669SOL     OW 2005   2.149   2.640   2.987  0.5312  0.5151  0.1848
+  669SOL    HW1 2006   2.060   2.643   2.953  0.1671 -1.1369  0.9218
+  669SOL    HW2 2007   2.203   2.620   2.911  0.6013  3.8756 -0.7319
+  670SOL     OW 2008   0.569   1.011   1.911  0.4038  0.2719  0.0087
+  670SOL    HW1 2009   0.516   0.998   1.989  1.0135  1.6270  0.6632
+  670SOL    HW2 2010   0.552   0.934   1.858  0.4821 -1.0004  1.7722
+  671SOL     OW 2011   1.472   0.066   0.356 -0.0722 -0.0042  0.6486
+  671SOL    HW1 2012   1.453   0.006   0.284  0.0462 -1.1088  1.5169
+  671SOL    HW2 2013   1.518   0.139   0.316 -1.5723  0.2327 -0.6662
+  672SOL     OW 2014   0.479   2.881   2.476 -0.1046  0.7830  0.2234
+  672SOL    HW1 2015   0.525   2.892   2.559 -0.8517  1.5315  0.5423
+  672SOL    HW2 2016   0.386   2.883   2.498 -0.3574  3.2321 -0.8569
+  673SOL     OW 2017   0.626   1.781   0.202 -0.0404  0.2131 -0.4696
+  673SOL    HW1 2018   0.711   1.805   0.237 -0.3135  0.5171 -0.0109
+  673SOL    HW2 2019   0.610   1.693   0.236 -0.2597  0.4671  0.0894
+  674SOL     OW 2020   2.592   2.858   1.399 -0.2295  0.3675  0.0556
+  674SOL    HW1 2021   2.648   2.931   1.423  0.3902 -0.3575  0.8571
+  674SOL    HW2 2022   2.569   2.874   1.307  1.8923  0.2916 -0.5134
+  675SOL     OW 2023   0.258   2.535   1.828  0.2060 -0.0846 -0.0327
+  675SOL    HW1 2024   0.220   2.454   1.861 -1.1612 -0.1780 -1.7490
+  675SOL    HW2 2025   0.194   2.603   1.850 -0.2406  0.0041 -1.5396
+  676SOL     OW 2026   0.746   0.925   0.162  0.2256  0.6830  0.0631
+  676SOL    HW1 2027   0.709   0.858   0.220  0.6784  1.0788  0.8115
+  676SOL    HW2 2028   0.840   0.917   0.174  0.2531  2.1727  0.9752
+  677SOL     OW 2029   0.146   0.271   0.475 -0.2123 -0.0044 -0.1091
+  677SOL    HW1 2030   0.150   0.346   0.416  0.7538  0.5631  0.6769
+  677SOL    HW2 2031   0.106   0.305   0.555 -1.4048 -0.7455 -0.3650
+  678SOL     OW 2032   0.436   0.824   2.335  0.1367 -0.2968 -0.3067
+  678SOL    HW1 2033   0.400   0.893   2.390 -1.7522 -1.1616 -0.4097
+  678SOL    HW2 2034   0.498   0.778   2.393  0.7534  0.9205  0.0202
+  679SOL     OW 2035   2.014   2.734   2.090  0.6437  0.0419 -0.0089
+  679SOL    HW1 2036   2.001   2.759   1.998  0.7759 -0.7764 -0.2541
+  679SOL    HW2 2037   1.931   2.754   2.132  0.5775  0.4102 -0.3097
+  680SOL     OW 2038   0.014   0.228   1.508  0.4993  0.1380  0.5508
+  680SOL    HW1 2039  -0.053   0.295   1.499  1.0503  0.4568 -1.6407
+  680SOL    HW2 2040   0.095   0.271   1.479  1.3229 -0.7527  1.4706
+  681SOL     OW 2041   1.250   2.886   2.894  0.2800  0.2929  0.0583
+  681SOL    HW1 2042   1.325   2.902   2.837  0.3937 -0.3898  0.0113
+  681SOL    HW2 2043   1.259   2.795   2.921  0.6063  0.8173  1.7483
+  682SOL     OW 2044   1.191   2.684   2.404  0.3030  0.0382  1.1697
+  682SOL    HW1 2045   1.273   2.719   2.367  0.1304  0.2609  0.9957
+  682SOL    HW2 2046   1.196   2.590   2.388  0.6194  0.0259  1.3415
+  683SOL     OW 2047   1.331   0.380   2.512 -0.4529  0.1459 -0.5370
+  683SOL    HW1 2048   1.302   0.299   2.554 -5.5467  2.4065  0.7608
+  683SOL    HW2 2049   1.344   0.441   2.584  1.5092  1.0521 -1.6170
+  684SOL     OW 2050   0.069   1.086   1.128 -0.3752 -0.6344 -0.5030
+  684SOL    HW1 2051   0.013   1.141   1.073 -0.1174 -1.3607 -1.5123
+  684SOL    HW2 2052   0.158   1.108   1.102 -0.2547 -1.1208 -0.5054
+  685SOL     OW 2053   0.127   0.931   2.026  0.2586  0.1030 -0.2944
+  685SOL    HW1 2054   0.071   1.009   2.014  1.0338  0.8483  0.8622
+  685SOL    HW2 2055   0.068   0.864   2.060 -0.3628  0.2618 -1.0445
+  686SOL     OW 2056   1.719   1.490   1.351 -0.6058  0.0403 -0.1408
+  686SOL    HW1 2057   1.641   1.495   1.405 -0.8217 -0.0766 -0.4395
+  686SOL    HW2 2058   1.738   1.396   1.345 -1.9046 -0.1339 -2.1376
+  687SOL     OW 2059   2.848   2.739   1.633  0.0973 -0.0809 -0.4986
+  687SOL    HW1 2060   2.768   2.743   1.579  0.1923 -1.6023 -0.7518
+  687SOL    HW2 2061   2.906   2.679   1.586  0.6825 -0.4222  0.6426
+  688SOL     OW 2062   1.233   0.344   2.757 -0.3542 -0.4244  0.1406
+  688SOL    HW1 2063   1.224   0.413   2.822  1.2846  0.9775 -1.1007
+  688SOL    HW2 2064   1.254   0.265   2.808  1.3812  0.7511  1.2614
+  689SOL     OW 2065   0.168   2.621   2.532  0.2290 -0.3173 -0.2100
+  689SOL    HW1 2066   0.195   2.542   2.485  0.5868 -0.2009 -0.2005
+  689SOL    HW2 2067   0.218   2.619   2.613  1.2763  0.6429 -0.8252
+  690SOL     OW 2068   1.937   0.500   0.125  0.0760  0.3349 -0.2340
+  690SOL    HW1 2069   1.898   0.430   0.072 -0.4280  0.8946 -0.6020
+  690SOL    HW2 2070   2.031   0.482   0.122  0.0553  0.3759 -1.3452
+  691SOL     OW 2071   0.790   2.560   2.449  0.9551 -0.3598 -0.4635
+  691SOL    HW1 2072   0.719   2.561   2.514 -0.6790 -0.2457 -2.2140
+  691SOL    HW2 2073   0.870   2.558   2.502 -0.3169  0.1505  1.5598
+  692SOL     OW 2074   2.887   1.788   0.978  0.0041  0.3531 -0.2375
+  692SOL    HW1 2075   2.827   1.736   1.031  0.8833 -1.0520 -0.5922
+  692SOL    HW2 2076   2.968   1.789   1.028 -1.0101  4.4898  1.5445
+  693SOL     OW 2077   0.724   1.679   1.780 -0.3316 -0.3236 -0.0944
+  693SOL    HW1 2078   0.682   1.763   1.762 -1.0069 -0.6590 -0.1247
+  693SOL    HW2 2079   0.815   1.701   1.799 -0.8466  0.5787  1.4496
+  694SOL     OW 2080   1.930   2.891   1.457  0.1343  0.3996 -0.7925
+  694SOL    HW1 2081   2.018   2.877   1.423  0.3543  0.2347 -0.1596
+  694SOL    HW2 2082   1.932   2.979   1.494 -0.7226  1.4197 -3.1267
+  695SOL     OW 2083   1.838   2.561   0.597 -0.4953  0.1398  0.0966
+  695SOL    HW1 2084   1.833   2.631   0.662 -1.5830  0.4218 -0.2839
+  695SOL    HW2 2085   1.858   2.606   0.515  0.2924 -0.1547  0.1243
+  696SOL     OW 2086   1.120   2.134   2.393  0.2165  0.0644 -0.2352
+  696SOL    HW1 2087   1.216   2.135   2.401  0.1214  1.2811  1.1078
+  696SOL    HW2 2088   1.089   2.121   2.483 -0.8815  0.7400 -0.5052
+  697SOL     OW 2089   2.343   2.943   1.556 -0.2015  0.0702  0.0863
+  697SOL    HW1 2090   2.431   2.911   1.537 -0.1213  0.0874  0.4276
+  697SOL    HW2 2091   2.346   2.968   1.648 -0.1930  1.3233 -0.2509
+  698SOL     OW 2092   2.022   1.994   0.304 -0.0615  0.1073  0.0719
+  698SOL    HW1 2093   1.990   1.936   0.373  0.3315  0.2660  0.3910
+  698SOL    HW2 2094   2.112   2.012   0.328  0.9464 -1.9888 -1.9194
+  699SOL     OW 2095   1.603   2.374   2.151  0.1158 -0.7830  0.5460
+  699SOL    HW1 2096   1.569   2.287   2.132  0.6785 -1.1154  1.0512
+  699SOL    HW2 2097   1.678   2.385   2.092  0.0757 -0.6601  0.5165
+  700SOL     OW 2098   2.154   0.315   0.932 -0.4724 -0.6488  0.1503
+  700SOL    HW1 2099   2.076   0.296   0.881 -0.2767 -4.4538  1.0898
+  700SOL    HW2 2100   2.227   0.308   0.870 -0.6003 -0.7756  0.0153
+  701SOL     OW 2101   1.917   1.010   0.810  0.6414  0.2533  0.3184
+  701SOL    HW1 2102   1.907   0.967   0.895  0.2528  1.0819  0.6973
+  701SOL    HW2 2103   1.988   0.962   0.767  1.8545  0.7661  1.7130
+  702SOL     OW 2104   2.788   0.919   0.456  0.1007  0.4651 -0.0492
+  702SOL    HW1 2105   2.881   0.925   0.481 -0.2691 -0.8992  1.7488
+  702SOL    HW2 2106   2.748   0.867   0.525 -1.5762 -0.9092 -2.0096
+  703SOL     OW 2107   2.974   2.252   1.028 -0.1029 -0.3194 -0.1526
+  703SOL    HW1 2108   2.923   2.270   1.106 -0.5527  2.9116 -1.1278
+  703SOL    HW2 2109   3.061   2.228   1.061 -1.3003 -2.7847  1.3954
+  704SOL     OW 2110   1.577   0.746   2.575  0.0548 -0.2534  0.8582
+  704SOL    HW1 2111   1.647   0.796   2.532 -1.0778  0.1532 -0.5244
+  704SOL    HW2 2112   1.623   0.690   2.637  1.6171 -0.0340 -0.0760
+  705SOL     OW 2113   0.981   2.988   2.833 -0.1016  0.2171  0.2276
+  705SOL    HW1 2114   1.006   2.925   2.766 -0.2324  0.9484 -0.5137
+  705SOL    HW2 2115   1.017   2.952   2.914 -0.7047 -1.1220 -0.0841
+  706SOL     OW 2116   0.247   1.358   0.095 -0.9934 -0.3613  0.1020
+  706SOL    HW1 2117   0.236   1.432   0.155 -0.2285 -1.4104  1.5778
+  706SOL    HW2 2118   0.266   1.398   0.010  0.6893  1.1301  1.1386
+  707SOL     OW 2119   2.684   2.765   0.155 -0.0860 -0.4626  0.2056
+  707SOL    HW1 2120   2.591   2.767   0.137  0.1042 -0.3100 -0.7692
+  707SOL    HW2 2121   2.701   2.847   0.203 -0.3829 -0.3030  0.0398
+  708SOL     OW 2122   1.488   0.873   0.644 -0.0947  0.3864 -0.4167
+  708SOL    HW1 2123   1.545   0.850   0.571 -1.4371  1.0152 -1.6897
+  708SOL    HW2 2124   1.539   0.852   0.722  1.5725  0.2244 -1.5279
+  709SOL     OW 2125   2.459   0.383   0.789 -0.4913  0.1089 -0.0302
+  709SOL    HW1 2126   2.539   0.380   0.842  0.4181 -0.9817 -1.4276
+  709SOL    HW2 2127   2.436   0.476   0.785  1.9717  0.6807 -1.4536
+  710SOL     OW 2128   1.203   2.598   1.533 -0.1053 -0.4803  0.1783
+  710SOL    HW1 2129   1.167   2.599   1.622 -0.6952 -0.9435 -0.0555
+  710SOL    HW2 2130   1.244   2.684   1.523 -3.0320  0.9084 -0.3417
+  711SOL     OW 2131   0.288   0.471   0.863  0.0811 -0.3571 -0.3789
+  711SOL    HW1 2132   0.367   0.525   0.864 -0.1625 -0.0185  0.2037
+  711SOL    HW2 2133   0.320   0.383   0.884  0.1940 -0.0724  0.6609
+  712SOL     OW 2134   1.557   1.396   0.815  0.3384 -0.4571 -0.0197
+  712SOL    HW1 2135   1.642   1.380   0.775  0.9701  1.1326  0.6600
+  712SOL    HW2 2136   1.560   1.487   0.842 -2.0187 -0.0299 -1.0471
+  713SOL     OW 2137   2.890   2.332   1.644  0.1462  0.3715  0.6031
+  713SOL    HW1 2138   2.895   2.319   1.739 -1.6677  1.0967  0.8240
+  713SOL    HW2 2139   2.927   2.252   1.607  0.5569 -0.0641  1.9247
+  714SOL     OW 2140   1.067   2.693   0.189  0.3570 -0.1023  0.0242
+  714SOL    HW1 2141   1.123   2.643   0.130 -0.6245  0.4796 -1.4308
+  714SOL    HW2 2142   1.010   2.628   0.229  1.2668 -0.5461  0.6371
+  715SOL     OW 2143   1.880   0.060   1.705  0.0779  0.4559  0.1069
+  715SOL    HW1 2144   1.800   0.015   1.731 -0.1414  0.4725 -0.5411
+  715SOL    HW2 2145   1.946   0.031   1.769  0.0887 -1.2441 -0.6560
+  716SOL     OW 2146   2.095   0.044   2.002  0.3107  0.3320 -0.5724
+  716SOL    HW1 2147   2.070  -0.037   2.046  1.7197 -0.4952 -1.2466
+  716SOL    HW2 2148   2.166   0.079   2.056 -0.1413  1.0052 -0.4082
+  717SOL     OW 2149   1.196   0.651   1.942  0.3273 -0.1233 -0.5319
+  717SOL    HW1 2150   1.135   0.629   1.872 -0.0983 -0.3353 -0.1034
+  717SOL    HW2 2151   1.223   0.566   1.977  2.0153 -0.0778 -1.6788
+  718SOL     OW 2152   1.430   0.192   1.923 -0.2658 -0.4387 -0.3286
+  718SOL    HW1 2153   1.406   0.100   1.936  1.5447 -0.7245  1.2967
+  718SOL    HW2 2154   1.489   0.190   1.847  2.9439 -1.2511  2.0511
+  719SOL     OW 2155   0.077   0.506   1.996  0.3478 -0.3929  0.6791
+  719SOL    HW1 2156   0.116   0.557   2.067  0.0107 -1.6937  1.8319
+  719SOL    HW2 2157  -0.017   0.518   2.007  0.2565 -1.3280  1.0447
+  720SOL     OW 2158   2.406   2.597   0.735  0.1128  0.7080 -0.2816
+  720SOL    HW1 2159   2.356   2.524   0.700  0.6353  0.2120 -0.0111
+  720SOL    HW2 2160   2.356   2.625   0.812 -0.3846  1.0023 -0.7128
+  721SOL     OW 2161   2.502   1.090   1.141 -0.4593  0.6025  0.8557
+  721SOL    HW1 2162   2.474   1.008   1.098 -0.6524 -0.6959  3.3867
+  721SOL    HW2 2163   2.587   1.069   1.178  0.3686  2.1735 -0.1042
+  722SOL     OW 2164   2.142   0.829   0.312 -0.1826 -0.1254 -0.0433
+  722SOL    HW1 2165   2.053   0.849   0.341 -0.1689 -0.8900  0.5578
+  722SOL    HW2 2166   2.143   0.852   0.219 -0.6003  1.1763  0.2634
+  723SOL     OW 2167   1.219   0.196   1.333 -0.0671  0.0205 -0.3260
+  723SOL    HW1 2168   1.130   0.179   1.302 -0.0508 -1.7841  0.5363
+  723SOL    HW2 2169   1.274   0.137   1.281  0.4929  0.3344 -0.0962
+  724SOL     OW 2170   0.307   0.891   0.821  0.7534 -0.2581  0.0615
+  724SOL    HW1 2171   0.354   0.948   0.881  1.0292  0.1035 -0.4914
+  724SOL    HW2 2172   0.219   0.928   0.816  1.1700  0.6458 -0.9588
+  725SOL     OW 2173   0.776   1.327   0.765 -0.0055 -0.4687 -0.7661
+  725SOL    HW1 2174   0.866   1.359   0.776 -0.4546  0.2892  0.7417
+  725SOL    HW2 2175   0.786   1.248   0.712  1.8279 -1.9849  1.7514
+  726SOL     OW 2176   0.622   0.788   0.379 -0.1096  0.5002  0.6308
+  726SOL    HW1 2177   0.692   0.761   0.438  0.4786  0.6033 -0.0149
+  726SOL    HW2 2178   0.542   0.761   0.423  0.4522 -2.4427 -0.0875
+  727SOL     OW 2179   0.717   0.508   1.094  0.1905  0.2898  0.2180
+  727SOL    HW1 2180   0.698   0.599   1.119  1.0552  0.6584 -0.4567
+  727SOL    HW2 2181   0.696   0.457   1.172  0.0252  1.1071  0.7144
+  728SOL     OW 2182   0.703   2.583   0.328 -0.4619 -0.0395 -0.6270
+  728SOL    HW1 2183   0.608   2.578   0.337 -0.4365  0.6779  0.0863
+  728SOL    HW2 2184   0.718   2.662   0.277 -0.2329  0.0278 -0.4562
+  729SOL     OW 2185   2.274   0.361   1.979 -0.0094  0.1263  0.3811
+  729SOL    HW1 2186   2.238   0.400   2.059  0.0614 -1.1431  1.0416
+  729SOL    HW2 2187   2.208   0.299   1.950 -0.5889  1.4848 -1.2676
+  730SOL     OW 2188   1.583   1.716   0.085  0.1085  0.1221  0.1424
+  730SOL    HW1 2189   1.641   1.707   0.009  2.0084 -0.0424  1.5710
+  730SOL    HW2 2190   1.591   1.632   0.131 -0.7754  0.3336  0.6995
+  731SOL     OW 2191   2.490   1.569   1.587  0.1889 -0.0757  0.2677
+  731SOL    HW1 2192   2.443   1.651   1.575  0.2315  0.1770  1.7196
+  731SOL    HW2 2193   2.574   1.583   1.544 -1.0379 -0.5536 -2.3902
+  732SOL     OW 2194   2.339   0.630   0.803 -0.0264  0.0161  0.4307
+  732SOL    HW1 2195   2.250   0.619   0.838 -0.7822 -1.5362 -1.8528
+  732SOL    HW2 2196   2.326   0.678   0.722  1.3691  0.8623  0.7089
+  733SOL     OW 2197   0.307   2.886   2.825  0.2417 -0.1686 -0.7597
+  733SOL    HW1 2198   0.212   2.881   2.831  0.3321  0.2326  1.4147
+  733SOL    HW2 2199   0.327   2.980   2.821  0.5447 -0.2591 -1.6441
+  734SOL     OW 2200   2.295   1.229   1.391 -0.1239 -0.1312 -0.1662
+  734SOL    HW1 2201   2.232   1.263   1.328 -0.1469  0.1568  0.0105
+  734SOL    HW2 2202   2.367   1.196   1.337 -0.3701 -0.3505 -0.3632
+  735SOL     OW 2203   2.317   2.484   2.464  0.5403 -0.5774  0.1768
+  735SOL    HW1 2204   2.331   2.502   2.557 -1.2086 -0.3139  0.4023
+  735SOL    HW2 2205   2.367   2.552   2.419 -1.4410  1.4425  0.9769
+  736SOL     OW 2206   2.825   2.678   0.719 -0.5057  0.0314 -1.0220
+  736SOL    HW1 2207   2.775   2.721   0.650 -1.4640 -1.7270 -1.4211
+  736SOL    HW2 2208   2.916   2.688   0.691 -0.7896  0.6495 -1.7566
+  737SOL     OW 2209   0.616   1.900   1.618 -0.0383  1.0473 -0.1753
+  737SOL    HW1 2210   0.687   1.942   1.572  0.9914 -0.9602 -0.4784
+  737SOL    HW2 2211   0.537   1.942   1.585  0.9097  2.2245 -0.9615
+  738SOL     OW 2212   1.450   0.158   0.646  0.0827 -0.8509 -0.2057
+  738SOL    HW1 2213   1.528   0.164   0.701  0.6246 -0.9010 -0.9605
+  738SOL    HW2 2214   1.482   0.122   0.563 -0.2966  1.5693 -1.4285
+  739SOL     OW 2215   2.651   0.937   2.192  0.4697 -0.5062  0.0042
+  739SOL    HW1 2216   2.602   0.875   2.138 -2.3886  2.2596 -0.6937
+  739SOL    HW2 2217   2.659   0.893   2.277 -1.8666 -1.6722 -0.3334
+  740SOL     OW 2218   0.388   1.176   0.246 -0.2001 -0.0866 -1.2924
+  740SOL    HW1 2219   0.332   1.148   0.318  0.1269 -1.3378 -1.5046
+  740SOL    HW2 2220   0.331   1.229   0.191 -0.6575  0.2440 -0.5087
+  741SOL     OW 2221   2.901   2.631   2.563  0.0205 -0.1879 -0.2862
+  741SOL    HW1 2222   2.888   2.691   2.637  1.4560  0.8110 -0.8174
+  741SOL    HW2 2223   2.995   2.636   2.545  0.0218 -2.0286 -0.8376
+  742SOL     OW 2224   0.949   1.883   1.759  0.0641 -0.1831  0.2837
+  742SOL    HW1 2225   0.936   1.971   1.795  0.9927  0.2002 -0.2771
+  742SOL    HW2 2226   0.989   1.834   1.830 -1.4171 -0.4596  0.9453
+  743SOL     OW 2227   0.941   1.230   3.008  0.4920 -0.1363  0.5291
+  743SOL    HW1 2228   0.964   1.278   2.929  2.8088 -0.8947  0.6873
+  743SOL    HW2 2229   1.019   1.178   3.027 -0.9246 -1.7856  1.9526
+  744SOL     OW 2230   1.960   2.473   0.934  0.4946 -0.4484  0.7685
+  744SOL    HW1 2231   1.916   2.414   0.872  2.3064  0.5533 -1.5753
+  744SOL    HW2 2232   1.892   2.533   0.963 -0.5254 -1.3070  0.2179
+  745SOL     OW 2233   1.659   0.943   1.985 -0.2715 -0.3155  0.1255
+  745SOL    HW1 2234   1.750   0.971   1.975  0.3844 -2.2064  0.5930
+  745SOL    HW2 2235   1.659   0.889   2.063 -1.9448  0.2146  0.4978
+  746SOL     OW 2236   0.073   0.254   0.033 -0.7531 -0.0275  0.1125
+  746SOL    HW1 2237   0.106   0.242   0.122  1.0686 -1.6953 -0.7557
+  746SOL    HW2 2238  -0.006   0.200   0.030  0.2989 -1.6017  0.1264
+  747SOL     OW 2239   1.595   2.338   2.869  0.3192 -0.3006  0.1641
+  747SOL    HW1 2240   1.623   2.329   2.778  1.0878  0.4639  0.3228
+  747SOL    HW2 2241   1.512   2.291   2.873  0.0646  0.0330 -1.0319
+  748SOL     OW 2242   1.876   1.201   1.885  0.3842  0.0229  0.2345
+  748SOL    HW1 2243   1.784   1.221   1.870  0.1586 -1.3602 -0.2810
+  748SOL    HW2 2244   1.923   1.273   1.843 -0.4844  1.8632  2.3606
+  749SOL     OW 2245   0.532   1.735   1.017  0.0296  0.7681 -0.0070
+  749SOL    HW1 2246   0.556   1.645   0.992 -0.6237  0.2792  1.0793
+  749SOL    HW2 2247   0.452   1.753   0.967  0.6710  1.1017 -0.9368
+  750SOL     OW 2248   0.918   0.576   0.206 -0.2996 -0.2964 -0.0535
+  750SOL    HW1 2249   0.958   0.590   0.120  0.5550  1.2532  0.5714
+  750SOL    HW2 2250   0.956   0.645   0.261 -1.2840 -0.9118  1.4125
+  751SOL     OW 2251   1.886   2.593   2.882 -0.2393  0.7495  0.1407
+  751SOL    HW1 2252   1.882   2.564   2.973  2.8864 -0.5979 -0.0919
+  751SOL    HW2 2253   1.867   2.514   2.831  1.3299  0.6767 -0.3792
+  752SOL     OW 2254   1.258   2.179   0.464 -0.3105  0.0948  0.4124
+  752SOL    HW1 2255   1.294   2.268   0.455 -0.6850  0.0905 -1.3071
+  752SOL    HW2 2256   1.192   2.187   0.532  1.7165  0.4750  2.3976
+  753SOL     OW 2257   1.514   2.366   2.421  0.0819  0.0828 -0.1864
+  753SOL    HW1 2258   1.595   2.372   2.472 -0.8512  0.0126  1.3603
+  753SOL    HW2 2259   1.537   2.399   2.334  1.8709 -0.3612  0.1014
+  754SOL     OW 2260   1.435   0.727   2.948  0.4456 -0.2344  0.2271
+  754SOL    HW1 2261   1.419   0.820   2.932  1.7990  0.1676  1.1124
+  754SOL    HW2 2262   1.530   0.721   2.958  0.3388 -1.6750  0.4415
+  755SOL     OW 2263   2.780   1.481   2.772 -0.0051 -0.0454 -0.2490
+  755SOL    HW1 2264   2.807   1.395   2.804  0.7822  0.1845 -0.3027
+  755SOL    HW2 2265   2.688   1.488   2.797 -0.1872 -1.0840 -0.6326
+  756SOL     OW 2266   2.075   1.650   2.818  0.0582 -0.5949 -0.2444
+  756SOL    HW1 2267   2.012   1.681   2.884  0.6208  1.6269 -0.7253
+  756SOL    HW2 2268   2.069   1.714   2.747  1.5099 -1.4168 -1.1188
+  757SOL     OW 2269   0.709   2.183   0.715  0.6398 -0.4830 -0.9412
+  757SOL    HW1 2270   0.735   2.092   0.728  2.2288  0.0314 -0.3458
+  757SOL    HW2 2271   0.753   2.231   0.786 -0.1311  0.7562 -1.2790
+  758SOL     OW 2272   1.620   0.123   0.865 -0.4578 -0.1820  0.4735
+  758SOL    HW1 2273   1.653   0.072   0.938 -0.1104  1.5774  1.5644
+  758SOL    HW2 2274   1.642   0.213   0.886 -1.1071  0.4450 -1.3973
+  759SOL     OW 2275   2.198   2.814   1.362 -0.2868  0.3502  0.0773
+  759SOL    HW1 2276   2.270   2.773   1.313 -0.4856 -0.5522  0.5311
+  759SOL    HW2 2277   2.242   2.860   1.434  0.0720  2.2858 -1.3122
+  760SOL     OW 2278   1.907   2.068   0.064 -0.3428 -0.1085 -0.1630
+  760SOL    HW1 2279   1.928   2.160   0.056 -2.0763  0.1794 -1.7754
+  760SOL    HW2 2280   1.949   2.040   0.145  0.2934  2.0602  0.2629
+  761SOL     OW 2281   1.279   1.034   1.014  0.2045  0.1159 -0.0273
+  761SOL    HW1 2282   1.273   0.953   1.065  1.7154 -1.2853 -1.9931
+  761SOL    HW2 2283   1.372   1.058   1.018  0.2767  0.2061 -1.7157
+  762SOL     OW 2284   1.693   0.733   1.360 -0.2830 -0.5827 -0.4435
+  762SOL    HW1 2285   1.667   0.689   1.441  0.5898 -0.1883  0.0543
+  762SOL    HW2 2286   1.765   0.790   1.385  1.4213 -2.0510 -1.9077
+  763SOL     OW 2287   2.812   0.154   2.310 -0.0601 -0.0885 -0.0292
+  763SOL    HW1 2288   2.809   0.119   2.221  0.9777  0.3002 -0.2286
+  763SOL    HW2 2289   2.902   0.187   2.319 -0.0225 -0.5526  1.3224
+  764SOL     OW 2290   0.320   1.138   1.365 -0.1636 -0.0533  0.1842
+  764SOL    HW1 2291   0.401   1.170   1.404  0.0067  0.6647 -0.7361
+  764SOL    HW2 2292   0.339   1.134   1.271  0.0491 -3.4803  0.2872
+  765SOL     OW 2293   0.009   0.968   0.184  0.3260  0.0645  0.5416
+  765SOL    HW1 2294   0.015   1.027   0.109 -1.3375 -0.1381  0.2266
+  765SOL    HW2 2295   0.094   0.925   0.188  0.7789  0.8382 -0.5910
+  766SOL     OW 2296   2.500   1.143   0.564 -0.5110  0.3930 -0.0529
+  766SOL    HW1 2297   2.590   1.175   0.553 -0.3538  0.1800  0.6185
+  766SOL    HW2 2298   2.504   1.086   0.641 -1.3391  0.8220  0.3070
+  767SOL     OW 2299   0.756   1.189   0.517 -0.0913  0.4553  0.3526
+  767SOL    HW1 2300   0.820   1.261   0.521  1.8661 -1.2487  0.3618
+  767SOL    HW2 2301   0.768   1.151   0.431  0.0378 -0.8878  0.9552
+  768SOL     OW 2302   0.085   2.901   2.476 -1.1234 -0.2760  0.3034
+  768SOL    HW1 2303   0.106   2.813   2.507  0.2976 -0.2233 -0.4873
+  768SOL    HW2 2304   0.087   2.893   2.381  0.5980  0.9771  0.2190
+  769SOL     OW 2305   0.384   1.579   1.371  0.1742 -0.5375 -0.5200
+  769SOL    HW1 2306   0.331   1.529   1.433  0.3932  0.1644  0.2583
+  769SOL    HW2 2307   0.473   1.546   1.383  0.2145 -0.4086 -0.4531
+  770SOL     OW 2308   0.931   2.742   0.507  1.1329 -0.0364 -0.3618
+  770SOL    HW1 2309   1.000   2.694   0.553  1.4303  0.4869 -0.2527
+  770SOL    HW2 2310   0.864   2.676   0.487  2.4901 -0.9085 -2.1099
+  771SOL     OW 2311   0.244   2.423   1.576  0.5635  0.2741  0.0469
+  771SOL    HW1 2312   0.234   2.466   1.661  1.4581  1.9548 -0.6701
+  771SOL    HW2 2313   0.336   2.437   1.552  0.3326 -0.2167 -1.1683
+  772SOL     OW 2314   1.920   1.681   2.222  0.0297 -0.2371  0.4737
+  772SOL    HW1 2315   1.986   1.647   2.282  0.3482 -1.5463 -0.6136
+  772SOL    HW2 2316   1.855   1.612   2.215 -0.2156  0.0735 -0.3824
+  773SOL     OW 2317   1.509   1.152   2.066  0.0842  0.1378 -0.0201
+  773SOL    HW1 2318   1.503   1.064   2.029 -1.1224 -0.3442  1.2805
+  773SOL    HW2 2319   1.499   1.210   1.991 -1.7176 -0.8314 -0.5563
+  774SOL     OW 2320   1.680   0.789   0.824 -0.3661 -0.2022  0.7781
+  774SOL    HW1 2321   1.756   0.751   0.780 -0.8690  0.0360 -0.3164
+  774SOL    HW2 2322   1.716   0.827   0.905  0.9304  1.1674 -0.4138
+  775SOL     OW 2323   1.534   2.749   1.620 -0.0426  0.2988 -0.4739
+  775SOL    HW1 2324   1.600   2.698   1.573 -0.0592 -0.0366 -0.1382
+  775SOL    HW2 2325   1.471   2.775   1.553  0.7171  1.0733 -0.8919
+  776SOL     OW 2326   1.004   2.379   1.719 -0.7075  0.0217  0.4157
+  776SOL    HW1 2327   0.961   2.408   1.639 -1.7594  0.6678  1.1965
+  776SOL    HW2 2328   1.046   2.457   1.754  0.7514 -0.5116 -0.1084
+  777SOL     OW 2329   0.084   2.708   1.031  0.2097 -0.7098  0.4387
+  777SOL    HW1 2330   0.129   2.792   1.043 -2.2571  0.6975  0.2088
+  777SOL    HW2 2331   0.075   2.673   1.120  1.2704 -0.7622  0.5347
+  778SOL     OW 2332   0.546   2.311   1.289  0.1801  0.2323 -0.2449
+  778SOL    HW1 2333   0.478   2.321   1.221  2.5355  1.9528 -2.4363
+  778SOL    HW2 2334   0.523   2.377   1.355  0.1927  1.4001 -1.3912
+  779SOL     OW 2335   0.014   1.840   0.057  0.0698 -0.6904 -0.1898
+  779SOL    HW1 2336   0.025   1.907  -0.010 -0.1558 -0.9835 -0.5177
+  779SOL    HW2 2337   0.076   1.865   0.126  0.7900 -0.7702 -0.8020
+  780SOL     OW 2338   1.139   2.385   0.083 -0.0225 -0.4669  0.1479
+  780SOL    HW1 2339   1.156   2.301   0.124 -0.5836 -0.1973  0.9489
+  780SOL    HW2 2340   1.044   2.396   0.091 -0.4416 -1.3640 -3.0660
+  781SOL     OW 2341   1.594   1.110   1.335  0.3377  0.1874  0.4151
+  781SOL    HW1 2342   1.619   1.095   1.426  2.7088 -1.1130 -0.4132
+  781SOL    HW2 2343   1.549   1.030   1.309 -0.0194  0.4131  0.3308
+  782SOL     OW 2344   2.911   2.642   2.195  0.2439 -0.5742 -0.7961
+  782SOL    HW1 2345   2.960   2.560   2.187  0.7632 -0.7176  2.9383
+  782SOL    HW2 2346   2.977   2.711   2.186  0.0544 -0.5775 -2.3381
+  783SOL     OW 2347   0.441   2.546   0.401 -0.1165  0.8244  0.2398
+  783SOL    HW1 2348   0.433   2.492   0.322 -0.1195  1.2553 -0.0584
+  783SOL    HW2 2349   0.434   2.484   0.473  0.1614  0.3848 -0.1015
+  784SOL     OW 2350   1.183   1.030   2.882  0.1592  0.9390  0.4661
+  784SOL    HW1 2351   1.276   1.012   2.897  0.5808 -0.2150 -3.1299
+  784SOL    HW2 2352   1.169   1.116   2.922  2.4174  0.5548  2.2253
+  785SOL     OW 2353   0.206   2.296   1.966  0.1765 -0.6382  0.4491
+  785SOL    HW1 2354   0.259   2.311   2.043 -1.4200 -1.1620  1.6821
+  785SOL    HW2 2355   0.255   2.233   1.914  0.6632 -1.2645  1.6598
+  786SOL     OW 2356   1.444   1.919   2.948  0.3623 -0.3187 -0.5836
+  786SOL    HW1 2357   1.443   1.841   2.893 -1.0236 -1.6869  1.3013
+  786SOL    HW2 2358   1.463   1.886   3.036  1.4070  1.6809 -0.0279
+  787SOL     OW 2359   1.321   1.490   1.669  0.1538  0.1124  0.3165
+  787SOL    HW1 2360   1.275   1.463   1.589  0.6858 -0.2551  0.1296
+  787SOL    HW2 2361   1.255   1.537   1.720  0.1411  1.4447 -0.8867
+  788SOL     OW 2362   1.053   2.770   2.094 -0.4370  0.0020  0.2183
+  788SOL    HW1 2363   1.013   2.806   2.173 -0.2645  0.4150  0.1213
+  788SOL    HW2 2364   1.129   2.721   2.126 -0.4691  0.0193  0.3218
+  789SOL     OW 2365   2.244   2.714   0.919 -0.7791  0.2732 -0.9511
+  789SOL    HW1 2366   2.189   2.680   0.990  1.6909  0.3746  1.0793
+  789SOL    HW2 2367   2.217   2.805   0.909 -1.2807  0.2028 -0.2694
+  790SOL     OW 2368   0.308   1.394   0.584  0.1454 -0.1431 -0.1979
+  790SOL    HW1 2369   0.267   1.362   0.665  1.7974  0.6414  0.9679
+  790SOL    HW2 2370   0.401   1.392   0.602  0.4638  1.5220 -1.5552
+  791SOL     OW 2371   2.237   2.539   0.400  0.5465 -0.7791  0.1603
+  791SOL    HW1 2372   2.218   2.494   0.482 -1.9289  1.3538  0.8563
+  791SOL    HW2 2373   2.277   2.622   0.427  0.2762 -0.3252 -0.7898
+  792SOL     OW 2374   1.748   2.254   0.836  0.3716 -0.6566 -0.5113
+  792SOL    HW1 2375   1.786   2.175   0.875 -3.1818 -3.0848 -1.7710
+  792SOL    HW2 2376   1.702   2.297   0.908  1.5928 -0.1460 -0.0181
+  793SOL     OW 2377   1.520   1.664   0.967  0.3192 -0.3700 -0.3258
+  793SOL    HW1 2378   1.518   1.754   0.934  0.6831 -0.4865 -0.6710
+  793SOL    HW2 2379   1.446   1.659   1.028  0.9164  0.4678  0.4890
+  794SOL     OW 2380   1.270   2.040   1.420  0.1165 -0.3586 -0.7402
+  794SOL    HW1 2381   1.235   1.962   1.463 -1.5025  1.1446  0.7746
+  794SOL    HW2 2382   1.310   2.090   1.491  0.8589  0.3527 -1.6457
+  795SOL     OW 2383   2.210   1.309   2.320 -0.1903 -0.1571 -0.3306
+  795SOL    HW1 2384   2.299   1.288   2.292  0.5724 -0.0301  1.8493
+  795SOL    HW2 2385   2.161   1.228   2.308  1.1306 -1.3573  1.8073
+  796SOL     OW 2386   2.210   0.962   1.101  0.2471  0.2934  0.3313
+  796SOL    HW1 2387   2.218   1.045   1.054  0.5426  0.5032  0.7489
+  796SOL    HW2 2388   2.118   0.958   1.127  0.2305  0.4841  0.3030
+  797SOL     OW 2389   2.349   0.459   1.321 -0.7193 -0.4927 -0.3531
+  797SOL    HW1 2390   2.284   0.475   1.390  0.9035  2.4591  0.5648
+  797SOL    HW2 2391   2.316   0.509   1.246 -0.1928 -0.0330 -0.2819
+  798SOL     OW 2392   2.284   2.991   2.940 -0.2105  0.0584  0.0388
+  798SOL    HW1 2393   2.363   2.937   2.943  0.6169  1.3117  1.5525
+  798SOL    HW2 2394   2.301   3.055   2.870 -0.1756 -0.1168 -0.1116
+  799SOL     OW 2395   2.300   2.300   0.905 -0.0243  0.3340  0.3313
+  799SOL    HW1 2396   2.392   2.307   0.878 -0.6354 -0.4989 -2.0917
+  799SOL    HW2 2397   2.296   2.348   0.987  2.1847  2.0692 -0.5153
+  800SOL     OW 2398   0.780   0.682   0.855 -0.2192  0.3736 -0.1346
+  800SOL    HW1 2399   0.812   0.718   0.938  1.7370 -1.4230 -0.0786
+  800SOL    HW2 2400   0.813   0.592   0.853 -0.8777  0.1476 -2.5216
+  801SOL     OW 2401   1.430   1.829   1.570  0.3030 -0.0501  0.2260
+  801SOL    HW1 2402   1.452   1.842   1.662 -1.4024 -0.8753  0.7666
+  801SOL    HW2 2403   1.335   1.834   1.567  0.3725  0.4832 -1.5884
+  802SOL     OW 2404   2.311   2.809   0.429 -0.9330 -0.1183  0.2407
+  802SOL    HW1 2405   2.324   2.881   0.490 -2.0590 -0.6515  1.1300
+  802SOL    HW2 2406   2.269   2.849   0.353  1.2207  0.6942 -0.5361
+  803SOL     OW 2407   0.511   2.035   0.135  0.2111 -0.3055 -0.2964
+  803SOL    HW1 2408   0.592   2.079   0.112  0.4849 -0.3862  0.5203
+  803SOL    HW2 2409   0.538   1.953   0.176 -0.2632  0.1786  1.0053
+  804SOL     OW 2410   1.516   2.330   0.674 -0.1761  0.5404  0.2592
+  804SOL    HW1 2411   1.607   2.323   0.704 -0.3146  0.7892  0.7472
+  804SOL    HW2 2412   1.484   2.240   0.674  0.8408  0.1162 -2.3963
+  805SOL     OW 2413   2.967   1.463   1.395  0.2632 -0.3908  0.5282
+  805SOL    HW1 2414   2.971   1.490   1.303  1.5748  2.3654  1.3512
+  805SOL    HW2 2415   3.057   1.445   1.419 -0.2578 -2.7241  0.8470
+  806SOL     OW 2416   2.856   2.386   0.805  0.0051  0.4343  0.4375
+  806SOL    HW1 2417   2.877   2.479   0.814  1.3145  0.2717 -0.7380
+  806SOL    HW2 2418   2.903   2.343   0.876 -0.8241  0.6869  1.1514
+  807SOL     OW 2419   2.817   0.072   2.040  0.3509  0.3738 -0.0388
+  807SOL    HW1 2420   2.755   0.062   1.968 -0.8549  2.4612  0.6565
+  807SOL    HW2 2421   2.902   0.053   2.001 -0.7318 -3.0987 -0.8846
+  808SOL     OW 2422   2.466   1.309   1.020  0.0868 -0.4346  0.2123
+  808SOL    HW1 2423   2.486   1.223   1.057 -0.8503 -0.3962  0.8073
+  808SOL    HW2 2424   2.539   1.364   1.047  0.8494 -1.1035 -0.4236
+  809SOL     OW 2425   0.963   1.605   1.017  0.0352 -0.1664 -0.4704
+  809SOL    HW1 2426   1.020   1.654   1.077  1.0602 -0.6881 -1.0062
+  809SOL    HW2 2427   0.937   1.669   0.951  1.4097 -0.3263 -1.1946
+  810SOL     OW 2428   0.115   2.933   1.938 -0.3265  0.1757  0.1521
+  810SOL    HW1 2429   0.209   2.917   1.943 -0.5595 -1.9009 -1.5720
+  810SOL    HW2 2430   0.104   2.991   1.863 -0.4530  0.1905  0.1817
+  811SOL     OW 2431   1.205   2.143   0.199 -0.1367 -0.4421  0.1101
+  811SOL    HW1 2432   1.204   2.171   0.291 -0.2784  2.2492 -0.6549
+  811SOL    HW2 2433   1.144   2.070   0.195 -3.6192  2.2544  1.3461
+  812SOL     OW 2434   0.529   0.447   1.650 -0.2655 -0.1012  0.0339
+  812SOL    HW1 2435   0.456   0.460   1.590 -0.6029  0.8385  0.6273
+  812SOL    HW2 2436   0.595   0.510   1.622 -0.4830  0.4439  0.7285
+  813SOL     OW 2437   1.000   2.576   1.341  0.3239 -0.2162 -0.2584
+  813SOL    HW1 2438   1.069   2.550   1.402  0.1531  1.4179  0.6474
+  813SOL    HW2 2439   0.925   2.522   1.366  0.7293 -0.6974 -0.0660
+  814SOL     OW 2440   2.274   0.930   0.079 -0.2978 -0.2447  0.1017
+  814SOL    HW1 2441   2.320   0.880   0.012 -0.1522  1.0550 -0.7933
+  814SOL    HW2 2442   2.343   0.979   0.124 -0.8285  2.5027 -1.9126
+  815SOL     OW 2443   1.798   1.342   0.709  0.3776 -0.1039 -0.1123
+  815SOL    HW1 2444   1.784   1.248   0.698  1.1667 -0.1959 -0.3733
+  815SOL    HW2 2445   1.892   1.353   0.701  0.2700  0.7356 -0.2585
+  816SOL     OW 2446   2.807   0.114   1.039  0.8542 -0.5984  0.0252
+  816SOL    HW1 2447   2.738   0.075   0.985  0.1241 -0.0015  0.5159
+  816SOL    HW2 2448   2.769   0.196   1.071  0.6966 -1.6874  2.7275
+  817SOL     OW 2449   0.547   0.103   1.250  0.6158 -0.0187  0.3447
+  817SOL    HW1 2450   0.602   0.034   1.213  1.9851  1.1698  0.0990
+  817SOL    HW2 2451   0.516   0.068   1.333  1.6856 -0.7507  0.4369
+  818SOL     OW 2452   1.969   2.485   1.494  0.3560  0.0292  0.6528
+  818SOL    HW1 2453   1.970   2.555   1.428  1.2978  1.4587  2.1392
+  818SOL    HW2 2454   2.062   2.469   1.512  0.1166 -0.9733  0.9968
+  819SOL     OW 2455   0.960   1.907   1.059 -0.5779  0.2990  0.0577
+  819SOL    HW1 2456   0.894   1.931   1.124 -2.5509 -0.4550 -1.6087
+  819SOL    HW2 2457   1.043   1.909   1.107 -1.8252  1.0794  2.2469
+  820SOL     OW 2458   2.613   1.960   1.331  0.2034 -0.1380 -0.3731
+  820SOL    HW1 2459   2.597   1.954   1.425  0.5378 -0.9900 -0.3647
+  820SOL    HW2 2460   2.646   2.049   1.318  1.1837 -0.3681  0.4738
+  821SOL     OW 2461   0.780   0.425   2.797 -0.1755 -0.1515 -0.4609
+  821SOL    HW1 2462   0.685   0.432   2.808 -0.1814 -1.7558  0.6976
+  821SOL    HW2 2463   0.803   0.341   2.836  1.3761 -1.0337 -3.1176
+  822SOL     OW 2464   2.478   0.853   1.009 -1.3742 -0.5598 -0.2150
+  822SOL    HW1 2465   2.494   0.779   0.950  0.8866 -1.9510  2.0531
+  822SOL    HW2 2466   2.388   0.839   1.040 -1.2184 -1.9515 -0.3547
+  823SOL     OW 2467   1.707   1.353   1.722 -0.4704  0.5288  0.3967
+  823SOL    HW1 2468   1.786   1.360   1.667 -0.7266  0.1395 -0.0320
+  823SOL    HW2 2469   1.636   1.380   1.664 -0.4529  2.6761  1.3418
+  824SOL     OW 2470   1.886   2.032   0.919 -0.0962 -0.4068  0.0661
+  824SOL    HW1 2471   1.843   2.000   0.998 -1.6872  1.1646 -0.1286
+  824SOL    HW2 2472   1.934   1.956   0.885  1.0935 -0.9488  2.8347
+  825SOL     OW 2473   1.108   1.581   1.300  0.7566 -0.4393 -0.2379
+  825SOL    HW1 2474   1.137   1.509   1.355  1.5842 -1.0299 -1.4138
+  825SOL    HW2 2475   1.013   1.569   1.294  0.7075 -0.5638  0.7803
+  826SOL     OW 2476   2.673   0.366   1.132  0.1870 -0.7451 -0.1774
+  826SOL    HW1 2477   2.616   0.323   1.196  1.0460 -0.2403  0.9578
+  826SOL    HW2 2478   2.735   0.416   1.186 -0.7504  1.8622 -1.4627
+  827SOL     OW 2479   0.038   0.061   2.679  0.1192 -0.1171 -0.1161
+  827SOL    HW1 2480   0.050   0.010   2.598 -1.5997  0.4140 -0.7419
+  827SOL    HW2 2481   0.096   0.136   2.669  1.1680 -0.9235 -0.0980
+  828SOL     OW 2482   2.740   2.499   2.936  0.4242  0.5208 -0.5368
+  828SOL    HW1 2483   2.789   2.466   3.011  0.0882 -1.0637 -1.0031
+  828SOL    HW2 2484   2.791   2.574   2.904  2.0833 -0.5804 -0.4867
+  829SOL     OW 2485   1.989   0.773   1.934  0.4174 -0.2452  0.2609
+  829SOL    HW1 2486   2.009   0.867   1.934  0.9170 -0.3487  0.6898
+  829SOL    HW2 2487   1.893   0.769   1.934  0.3902  0.2577 -0.7665
+  830SOL     OW 2488   0.840   0.369   2.468 -1.0031  0.4111 -0.1594
+  830SOL    HW1 2489   0.829   0.369   2.563 -0.5847 -2.3181 -0.0682
+  830SOL    HW2 2490   0.894   0.446   2.450 -0.9611  0.8746  1.8232
+  831SOL     OW 2491   0.650   0.691   2.440  0.3794 -0.1590 -0.2432
+  831SOL    HW1 2492   0.654   0.632   2.365  0.3936 -0.6756  0.1667
+  831SOL    HW2 2493   0.647   0.634   2.516 -0.9592  0.3331  0.0937
+  832SOL     OW 2494   0.169   2.245   0.129 -0.4037  0.3629  0.6569
+  832SOL    HW1 2495   0.139   2.331   0.100  0.6574 -0.0956 -1.9348
+  832SOL    HW2 2496   0.091   2.190   0.126 -0.0260 -0.1482 -3.4058
+  833SOL     OW 2497   0.546   2.992   1.722  0.6836 -0.0784 -0.4521
+  833SOL    HW1 2498   0.493   2.923   1.762 -1.8552  1.2884 -1.3710
+  833SOL    HW2 2499   0.603   3.021   1.793 -0.4897 -0.8960  0.8572
+  834SOL     OW 2500   2.927   1.752   2.387  0.2583  0.3472 -0.0054
+  834SOL    HW1 2501   2.838   1.764   2.419  0.3748 -0.3067  0.5869
+  834SOL    HW2 2502   2.920   1.754   2.292 -0.0196  2.9306  0.0383
+  835SOL     OW 2503   2.111   0.609   0.952 -0.3146 -0.0081  0.5236
+  835SOL    HW1 2504   2.114   0.515   0.967  1.3385  0.0914  0.8792
+  835SOL    HW2 2505   2.125   0.648   1.039  0.9706  0.5592  0.0752
+  836SOL     OW 2506   0.654   0.770   1.173  0.3871 -0.5646  0.5703
+  836SOL    HW1 2507   0.602   0.787   1.251  1.4311  0.9256  0.9711
+  836SOL    HW2 2508   0.741   0.805   1.194  0.7153 -0.2818 -1.1821
+  837SOL     OW 2509   1.862   2.306   2.681  0.4614  0.0913 -0.4662
+  837SOL    HW1 2510   1.942   2.291   2.731  0.4971  1.3253 -0.1418
+  837SOL    HW2 2511   1.860   2.235   2.616  0.8220 -1.0510  0.7585
+  838SOL     OW 2512   2.709   1.807   1.696 -0.6644  0.3727  0.0545
+  838SOL    HW1 2513   2.635   1.847   1.651  0.2463  2.5202  0.4262
+  838SOL    HW2 2514   2.744   1.744   1.633 -3.0060 -0.9622  0.0196
+  839SOL     OW 2515   2.798   0.997   0.913  0.6539 -0.2254  0.1540
+  839SOL    HW1 2516   2.844   0.913   0.922 -0.3506 -0.9600 -1.3966
+  839SOL    HW2 2517   2.793   1.030   1.003 -1.8528 -3.4257  1.3141
+  840SOL     OW 2518   1.221   0.302   0.432  0.1700 -0.2429 -0.1679
+  840SOL    HW1 2519   1.212   0.211   0.461 -1.1335  0.1662  0.7154
+  840SOL    HW2 2520   1.148   0.315   0.372 -0.8204  0.8292  1.2586
+  841SOL     OW 2521   1.723   2.849   1.762  0.3270 -0.1819 -0.2895
+  841SOL    HW1 2522   1.665   2.868   1.836  0.2886 -1.2293 -0.0390
+  841SOL    HW2 2523   1.668   2.803   1.700  0.2230  1.1686 -1.2205
+  842SOL     OW 2524   1.965   1.802   2.606  0.1562  0.5609 -0.0398
+  842SOL    HW1 2525   1.875   1.806   2.638  0.6833 -0.4052  1.6088
+  842SOL    HW2 2526   2.003   1.886   2.632  0.4557 -0.0465  1.5309
+  843SOL     OW 2527   1.744   2.346   1.918  0.3547  0.1115  0.6941
+  843SOL    HW1 2528   1.803   2.385   1.852 -0.3081  0.3824  0.2532
+  843SOL    HW2 2529   1.731   2.256   1.888  0.6999 -0.0119  0.9044
+  844SOL     OW 2530   1.067   1.758   1.990 -0.1041 -0.0165 -0.3334
+  844SOL    HW1 2531   1.085   1.847   2.022  0.5452 -0.4605  0.5665
+  844SOL    HW2 2532   1.093   1.701   2.063  0.1473 -0.9850 -1.1758
+  845SOL     OW 2533   0.839   0.199   2.931 -0.2228 -0.2854 -0.7083
+  845SOL    HW1 2534   0.910   0.254   2.965 -0.7140 -0.8450  1.2540
+  845SOL    HW2 2535   0.884   0.125   2.890  0.3623  0.1181 -0.8002
+  846SOL     OW 2536   2.506   2.180   2.715  0.2075  0.0553  0.7681
+  846SOL    HW1 2537   2.579   2.242   2.726 -0.4335  1.0703 -0.5370
+  846SOL    HW2 2538   2.523   2.139   2.630  0.0078 -0.7447  1.1100
+  847SOL     OW 2539   0.833   1.043   0.885 -0.0455  0.3398 -0.1811
+  847SOL    HW1 2540   0.884   0.994   0.820 -2.1142 -0.2622 -1.3916
+  847SOL    HW2 2541   0.899   1.079   0.945  1.7282 -1.2559 -1.1140
+  848SOL     OW 2542   1.600   1.469   2.618  0.4657  0.4270  0.6086
+  848SOL    HW1 2543   1.523   1.516   2.649  0.6775  1.4602 -0.3626
+  848SOL    HW2 2544   1.671   1.497   2.676  0.4138  0.6573  0.5623
+  849SOL     OW 2545   2.370   0.354   0.526  0.2520  0.2027  0.5175
+  849SOL    HW1 2546   2.432   0.349   0.598 -0.1869 -1.2672  0.8110
+  849SOL    HW2 2547   2.360   0.448   0.508  0.0767  0.5960  2.6187
+  850SOL     OW 2548   1.154   1.072   2.441 -0.0756  0.7363  1.0405
+  850SOL    HW1 2549   1.236   1.027   2.460  0.4591  0.6204 -1.4005
+  850SOL    HW2 2550   1.086   1.006   2.453  0.5048 -0.1203 -0.2685
+  851SOL     OW 2551   2.393   1.904   2.831 -0.1835 -0.1880 -0.6443
+  851SOL    HW1 2552   2.305   1.872   2.808 -1.4042 -0.5705  3.9254
+  851SOL    HW2 2553   2.377   1.983   2.883  2.0743 -0.7975  1.0695
+  852SOL     OW 2554   2.534   2.018   0.790 -0.5034 -0.2316 -0.6378
+  852SOL    HW1 2555   2.605   2.018   0.855  0.0647  0.3008 -1.2515
+  852SOL    HW2 2556   2.575   1.986   0.710 -0.7713  0.8295 -1.2004
+  853SOL     OW 2557   1.005   0.134   2.352  0.2962 -0.3075 -1.3491
+  853SOL    HW1 2558   0.977   0.139   2.443  1.1687 -1.1150 -1.0328
+  853SOL    HW2 2559   0.984   0.220   2.316 -0.6765 -0.2045 -0.5753
+  854SOL     OW 2560   2.845   2.418   0.455  0.5156  0.1589 -0.5781
+  854SOL    HW1 2561   2.767   2.432   0.508  0.9449 -2.2067  0.7527
+  854SOL    HW2 2562   2.917   2.456   0.505  0.3519  1.6117 -1.4241
+  855SOL     OW 2563   0.039   2.384   2.189  0.2938 -0.8637  0.1614
+  855SOL    HW1 2564   0.090   2.378   2.108 -0.6213  0.6590 -0.5623
+  855SOL    HW2 2565   0.004   2.296   2.203 -2.8203 -0.2803 -3.3063
+  856SOL     OW 2566   0.998   0.520   0.770  0.5145  0.0906 -0.5987
+  856SOL    HW1 2567   0.954   0.444   0.733  1.1175 -0.7419  0.3964
+  856SOL    HW2 2568   1.084   0.521   0.727  0.9535 -0.4759  0.2656
+  857SOL     OW 2569   0.201   1.535   1.824  0.0282  0.1543  0.1654
+  857SOL    HW1 2570   0.131   1.476   1.850  0.5625 -0.4232  0.2901
+  857SOL    HW2 2571   0.255   1.546   1.902  0.9661 -0.6491 -0.3547
+  858SOL     OW 2572   1.269   2.956   2.009 -0.0738  0.2822 -0.4992
+  858SOL    HW1 2573   1.287   2.877   2.060 -3.0341  0.4473  0.8853
+  858SOL    HW2 2574   1.255   3.025   2.075 -2.3462  0.8562 -1.5265
+  859SOL     OW 2575   2.992   2.706   1.878 -0.0053  0.1106 -0.1407
+  859SOL    HW1 2576   3.028   2.787   1.913 -0.4204  0.3194 -0.1924
+  859SOL    HW2 2577   2.921   2.734   1.820  0.8021 -0.2237 -1.3011
+  860SOL     OW 2578   2.578   0.393   2.670  0.5151 -0.6959 -0.3868
+  860SOL    HW1 2579   2.670   0.413   2.649  1.1198 -1.9465  0.9546
+  860SOL    HW2 2580   2.569   0.300   2.649 -0.4971 -0.5426 -0.6482
+  861SOL     OW 2581   1.040   1.420   0.811  0.8029  0.0942  0.6091
+  861SOL    HW1 2582   1.036   1.475   0.889 -0.2396  0.2785  0.4233
+  861SOL    HW2 2583   1.125   1.440   0.772  1.7946 -0.7584  2.2538
+  862SOL     OW 2584   1.023   0.171   2.619 -0.2238 -0.4521  0.4063
+  862SOL    HW1 2585   1.026   0.108   2.691  3.1419 -3.1414 -1.9279
+  862SOL    HW2 2586   1.072   0.247   2.650  2.3660 -2.1308  0.5744
+  863SOL     OW 2587   0.071   2.322   2.790  0.1860 -0.1120 -0.4755
+  863SOL    HW1 2588   0.095   2.248   2.846  1.5245 -0.8831 -2.0283
+  863SOL    HW2 2589   0.058   2.395   2.851 -0.4032 -1.4293  1.0034
+  864SOL     OW 2590   2.330   0.552   1.754  0.3453  0.0194  0.6299
+  864SOL    HW1 2591   2.300   0.487   1.817  0.5872 -0.5841  0.1284
+  864SOL    HW2 2592   2.263   0.553   1.686 -0.7266  1.8182  1.6679
+  865SOL     OW 2593   2.137   2.281   1.732  0.2282  0.2621  0.2028
+  865SOL    HW1 2594   2.209   2.321   1.684 -0.3825  1.4461  0.2688
+  865SOL    HW2 2595   2.179   2.212   1.784  0.9332 -0.9425 -1.8565
+  866SOL     OW 2596   1.616   0.258   0.221  0.2013  0.3173  0.4140
+  866SOL    HW1 2597   1.679   0.253   0.148  0.2751 -1.7489  0.6059
+  866SOL    HW2 2598   1.671   0.266   0.299  0.1273  2.2410  0.2912
+  867SOL     OW 2599   0.279   1.129   0.516  0.5775 -0.4646 -0.4348
+  867SOL    HW1 2600   0.265   1.223   0.506 -0.7601 -0.4158  1.5751
+  867SOL    HW2 2601   0.352   1.122   0.577 -0.9674 -0.6979  1.4254
+  868SOL     OW 2602   1.160   2.453   0.882 -0.1037 -0.6548 -0.3732
+  868SOL    HW1 2603   1.105   2.453   0.804  0.5705 -0.0857 -0.8601
+  868SOL    HW2 2604   1.229   2.517   0.862  0.7000 -1.3219  0.2466
+  869SOL     OW 2605   1.410   1.990   0.335 -0.3981 -0.3783 -0.2262
+  869SOL    HW1 2606   1.490   2.019   0.291 -0.9253 -1.4775 -1.9384
+  869SOL    HW2 2607   1.372   2.071   0.371 -0.5406  0.7132 -2.7527
+  870SOL     OW 2608   1.260   1.494   2.881  0.1996 -0.1498 -0.6239
+  870SOL    HW1 2609   1.312   1.423   2.918 -0.4896 -0.2966  0.0830
+  870SOL    HW2 2610   1.179   1.452   2.851 -0.5676  0.4437  0.5572
+  871SOL     OW 2611   2.079   0.614   2.846 -0.6338 -0.5306 -0.1649
+  871SOL    HW1 2612   2.127   0.552   2.901 -0.1638 -0.8272 -0.8954
+  871SOL    HW2 2613   2.105   0.592   2.757 -0.9590  0.3037 -0.4755
+  872SOL     OW 2614   1.140   1.828   1.542 -0.7040  0.0307 -0.5228
+  872SOL    HW1 2615   1.134   1.745   1.495 -1.9785  0.3291 -0.8922
+  872SOL    HW2 2616   1.060   1.832   1.594 -0.9604  1.3424 -1.0163
+  873SOL     OW 2617   2.751   1.536   0.539  0.2085 -0.0600  0.3554
+  873SOL    HW1 2618   2.751   1.566   0.448 -0.6179 -0.7760  0.1052
+  873SOL    HW2 2619   2.686   1.590   0.583  1.2196  0.8638  0.7278
+  874SOL     OW 2620   2.504   1.938   1.586  0.1203 -0.0543 -0.3454
+  874SOL    HW1 2621   2.447   1.863   1.570  0.6238 -0.8888  1.6575
+  874SOL    HW2 2622   2.449   2.002   1.631  0.0736  0.2322 -0.7966
+  875SOL     OW 2623   1.860   0.074   2.202 -0.4258 -0.0861 -0.0755
+  875SOL    HW1 2624   1.787   0.016   2.221 -0.8656  0.9100  1.3411
+  875SOL    HW2 2625   1.821   0.162   2.202  0.8484  0.4978  1.2241
+  876SOL     OW 2626   0.463   1.537   2.231 -0.0821 -0.1974 -0.3092
+  876SOL    HW1 2627   0.369   1.533   2.215  0.0993  0.5619 -1.7146
+  876SOL    HW2 2628   0.501   1.549   2.144  1.1826  1.3505  0.4218
+  877SOL     OW 2629   2.395   0.784   2.456 -0.0281  0.0453 -0.3874
+  877SOL    HW1 2630   2.364   0.693   2.462 -1.7580  0.5713 -1.2196
+  877SOL    HW2 2631   2.410   0.810   2.547 -0.6705 -0.6835 -0.0715
+  878SOL     OW 2632   0.385   0.988   2.111  0.8068 -0.3797  0.4820
+  878SOL    HW1 2633   0.386   0.957   2.202 -0.0572 -0.6122  0.4100
+  878SOL    HW2 2634   0.302   0.957   2.076  1.4954 -1.0005 -0.6369
+  879SOL     OW 2635   0.081   2.554   0.526  0.1634 -0.0388 -0.1714
+  879SOL    HW1 2636   0.107   2.605   0.448 -0.3453  0.4521 -0.0209
+  879SOL    HW2 2637   0.052   2.620   0.589  0.1538 -0.4716  0.2768
+  880SOL     OW 2638   1.677   0.382   0.865 -0.2434 -0.7854  0.2612
+  880SOL    HW1 2639   1.582   0.399   0.864 -0.0727  0.2628  0.5647
+  880SOL    HW2 2640   1.706   0.406   0.777 -0.0995 -0.0902  0.4946
+  881SOL     OW 2641   0.955   2.859   2.340 -0.3574  0.6026 -0.0418
+  881SOL    HW1 2642   0.974   2.950   2.362 -0.5246  0.4586  0.6921
+  881SOL    HW2 2643   1.020   2.809   2.389 -0.0909  0.3421 -0.6580
+  882SOL     OW 2644   2.671   2.810   2.297  0.3460 -0.0391 -0.4573
+  882SOL    HW1 2645   2.730   2.813   2.372  0.0605 -0.2927 -0.2268
+  882SOL    HW2 2646   2.727   2.785   2.224  0.5238 -0.2852 -0.2369
+  883SOL     OW 2647   2.253   2.749   2.724  0.4910 -0.0449  0.0617
+  883SOL    HW1 2648   2.287   2.820   2.778 -0.4529  0.7523 -0.3678
+  883SOL    HW2 2649   2.299   2.758   2.641  0.7764 -0.2883  0.1905
+  884SOL     OW 2650   0.153   0.340   1.796  0.1325 -0.3849  0.1979
+  884SOL    HW1 2651   0.167   0.407   1.729 -1.1449 -1.0934 -0.8050
+  884SOL    HW2 2652   0.116   0.387   1.870 -0.7817  0.0290 -0.5110
+   2.99986   2.99986   2.99986
diff --git a/gromacs-demos/vacf/demo.ipynb b/gromacs-demos/vacf/demo.ipynb
new file mode 100644
index 0000000..9e1e395
--- /dev/null
+++ b/gromacs-demos/vacf/demo.ipynb
@@ -0,0 +1,193 @@
+{
+ "cells": [
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "import docker\n",
+    "docker_client = docker.from_env()\n",
+    "img = docker_client.images.pull(\n",
+    "            \"ghcr.io/becksteinlab/streaming-md-docker:main-Common-CPU\"\n",
+    "        )\n",
+    "\n",
+    "container = docker_client.containers.run(\n",
+    "            img,\n",
+    "            f\"/bin/sh -c 'cd /tmp && ./run.sh'\",\n",
+    "            detach=True,\n",
+    "            volumes={\"/nfs/homes3/ljwoods2/workspace/imd-workshop-2024/gromacs-demos/distances\": {\"bind\": \"/tmp\", \"mode\": \"rw\"}},\n",
+    "            ports={\"8888/tcp\": 8888},\n",
+    "            name=\"sim\",\n",
+    "            remove=True,\n",
+    "        )"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 1,
+   "metadata": {},
+   "outputs": [
+    {
+     "name": "stderr",
+     "output_type": "stream",
+     "text": [
+      "/etc/python/sitecustomize.py:117: TqdmWarning: IProgress not found. Please update jupyter and ipywidgets. See https://ipywidgets.readthedocs.io/en/stable/user_install.html\n",
+      "  mod = _original_import(name, globals, locals, fromlist, level)\n"
+     ]
+    }
+   ],
+   "source": [
+    "import MDAnalysis as mda\n",
+    "#from MDAnalysis.lib.correlations import autocorrelation\n",
+    "import MDAnalysis.analysis.base as mda_base\n",
+    "\n",
+    "import numpy as np\n",
+    "\n",
+    "import vdos as vd\n",
+    "\n",
+    "import matplotlib.pyplot as plt\n",
+    "from IPython.display import display, clear_output"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 2,
+   "metadata": {},
+   "outputs": [
+    {
+     "data": {
+      "image/png": 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",
+      "text/plain": [
+       "<Figure size 1000x600 with 1 Axes>"
+      ]
+     },
+     "metadata": {},
+     "output_type": "display_data"
+    },
+    {
+     "data": {
+      "image/png": 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",
+      "text/plain": [
+       "<Figure size 1000x600 with 1 Axes>"
+      ]
+     },
+     "metadata": {},
+     "output_type": "display_data"
+    }
+   ],
+   "source": [
+    "plt.ion()\n",
+    "fig, ax = plt.subplots(figsize=(10, 6))\n",
+    "p_total, = ax.plot([], [], label='Total VACF')\n",
+    "p_single, = ax.plot([], [], label='Single VACF')\n",
+    "ax.set_xlabel('τ (ps)', fontsize=24, fontweight='bold',color='black')\n",
+    "ax.set_ylabel('VACF (Arb. unit)', fontsize=24, fontweight='bold',color='black')\n",
+    "ax.set_xticklabels([])\n",
+    "ax.set_yticklabels([])\n",
+    "#ax.set_xlim(0, 1000)\n",
+    "#ax.set_ylim(0, 12000)\n",
+    "plt.tight_layout()\n",
+    "ax.legend()\n",
+    "display(fig)  # Display the figure initially"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "metadata": {},
+   "outputs": [
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "Error during connection: Failed to construct topology from file imd/topol.tpr with parser <class 'MDAnalysis.topology.TPRParser.TPRParser'>.\n",
+      "Error: Your tpx version is 136, which this parser does not support, yet \n"
+     ]
+    },
+    {
+     "data": {
+      "text/plain": [
+       "<contextlib.ExitStack at 0x1554c115fe10>"
+      ]
+     },
+     "execution_count": 5,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "try:\n",
+    "    # Connect to IMD server\n",
+    "    u = mda.Universe(\"mda.tpr\", \"imd://localhost:8894\")\n",
+    "    sel = u.select_atoms(\"resname SOL\")\n",
+    "    vdos = vd.vdos(sel, 200)\n",
+    "    vd.vdosLib.omp_set_num_threads(4)\n",
+    "except Exception as e:\n",
+    "    print(f\"Error during connection: {e}\")\n",
+    "else:\n",
+    "    try:\n",
+    "        tStep = 0\n",
+    "        \n",
+    "        for ts in u.trajectory:            \n",
+    "            # Process frame using VDOS\n",
+    "            vdos.single_frame(tStep, ts.time)\n",
+    "            \n",
+    "            # Update plot every 200 steps\n",
+    "            if tStep % 200 == 0:\n",
+    "                vdos.copyResidueList()\n",
+    "                vdos.postProcess(vdos.residueListCopy, mode=\"total+single\")\n",
+    "\n",
+    "                \n",
+    "                time_axis = np.array(vdos.tau)\n",
+    "                vacf_total = np.array(vdos.totVACF[0])\n",
+    "                vacf_single = np.array(vdos.totVACF[1])\n",
+    "\n",
+    "                # update lines\n",
+    "                p_total.set_data(time_axis, vacf_total)\n",
+    "                p_single.set_data(time_axis, vacf_single)\n",
+    "                \n",
+    "                ax.relim()  # Recompute limits\n",
+    "                ax.autoscale_view()  # Autoscale the view\n",
+    "                \n",
+    "                clear_output(wait=True)\n",
+    "                display(fig)\n",
+    "            \n",
+    "            tStep += 1\n",
+    "            \n",
+    "    finally:\n",
+    "        u.trajectory.close()\n",
+    "\n",
+    "plt.ioff()  # Turn off interactive mode when done"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "metadata": {},
+   "outputs": [],
+   "source": []
+  }
+ ],
+ "metadata": {
+  "kernelspec": {
+   "display_name": "Python 3",
+   "language": "python",
+   "name": "python3"
+  },
+  "language_info": {
+   "codemirror_mode": {
+    "name": "ipython",
+    "version": 3
+   },
+   "file_extension": ".py",
+   "mimetype": "text/x-python",
+   "name": "python",
+   "nbconvert_exporter": "python",
+   "pygments_lexer": "ipython3",
+   "version": "3.13.7"
+  }
+ },
+ "nbformat": 4,
+ "nbformat_minor": 2
+}
diff --git a/gromacs-demos/vacf/demo.py b/gromacs-demos/vacf/demo.py
new file mode 100644
index 0000000..c0381f8
--- /dev/null
+++ b/gromacs-demos/vacf/demo.py
@@ -0,0 +1,40 @@
+from imdclient.IMDREADER import IMDReader
+import numpy as np
+import MDAnalysis as mda
+import logging
+import dynplot as dyn
+import vdos as vd
+import time as t
+
+# %%
+logger = logging.getLogger("imdclient.IMDClient")
+file_handler = logging.FileHandler("imdreader.log")
+formatter = logging.Formatter(
+    "%(asctime)s - %(name)s - %(levelname)s - %(message)s"
+)
+file_handler.setFormatter(formatter)
+logger.addHandler(file_handler)
+logger.setLevel(logging.INFO)
+
+# %%
+u = mda.Universe("mda.tpr", "imd://localhost:8888",buffersize = 10*1024*1024)
+sel = u.select_atoms("resname SOL")
+vdos = vd.vdos(sel,200)
+
+vd.vdosLib.omp_set_num_threads(2)
+tStep = 0
+for ts in u.trajectory:
+    vdos.single_frame(tStep,ts.time)
+    if tStep == 0:
+        d = dyn.dynamicPlot([0,1000],"wavenumber (cm^-1)",[0,12000],"VDoS (arb. u.)","")
+    elif tStep % 200 == 0:
+        vdos.copyResidueList()
+        vdos.postProcess(vdos.residueListCopy,mode = "total+single")
+        total = np.array(vdos.totVDoS[0])
+        single = np.array(vdos.totVDoS[1])
+        d.update(vdos.wavenumber, total, single)
+    tStep += 1
+# %%
+logger.info(f"Parsed {tStep} frames")
+
+
diff --git a/gromacs-demos/vacf/dynplot.py b/gromacs-demos/vacf/dynplot.py
new file mode 100644
index 0000000..54dc731
--- /dev/null
+++ b/gromacs-demos/vacf/dynplot.py
@@ -0,0 +1,35 @@
+import matplotlib.pyplot as plt
+import seaborn as sns
+sns.set_theme()
+plt.ion()
+
+class dynamicPlot:
+    def __init__(self,xRange,xLabel,yRange,yLabel,title):
+        self.xRange = xRange
+        self.xLabel = xLabel
+        self.yRange = yRange
+        self.yLabel = yLabel
+        self.title = title
+        self.prepare()
+
+    def prepare(self):
+        #Set up plot
+        self.figure, self.ax = plt.subplots()
+        self.l1, = self.ax.plot([],[], color = "red", linewidth = 2.0, label = "total")
+        self.l2, = self.ax.plot([],[], color = "blue", linewidth = 2.0, label = "single molecule")
+        self.ax.set_xlim(self.xRange[0], self.xRange[1])
+        self.ax.set_ylim(self.yRange[0], self.yRange[1])
+        self.ax.set_xlabel(self.xLabel)
+        self.ax.set_ylabel(self.yLabel)
+        self.ax.set_title(self.title)
+        self.ax.legend()
+
+    def update(self, xData, yData1, yData2):
+        #Update data (with the new _and_ the old points)
+        self.l1.set_xdata(xData)
+        self.l1.set_ydata(yData1)
+        self.l2.set_xdata(xData)
+        self.l2.set_ydata(yData2)
+        #We need to draw *and* flush
+        self.figure.canvas.draw()
+        self.figure.canvas.flush_events()
diff --git a/gromacs-demos/vacf/imd.mdp b/gromacs-demos/vacf/imd.mdp
new file mode 100644
index 0000000..655ebf0
--- /dev/null
+++ b/gromacs-demos/vacf/imd.mdp
@@ -0,0 +1,57 @@
+title                   = PRODUCTION IN NPT
+; Run parameters
+integrator              = md        ; leap-frog integrator
+nsteps                  = 25000     ; 1 * 25000 = 25 ps
+dt                      = 0.001     ; 1 fs
+; Output control
+nstxout                 = 0      ; save coordinates every 5 ps
+nstvout                 = 0      ; save velocities every 5 ps
+nstenergy               = 0      ; save energies every 5 ps
+nstlog                  = 0      ; update log file every 5 ps
+; Center of mass (COM) motion
+nstcomm                 = 10        ; remove COM motion every 10 steps
+comm-mode               = Linear    ; remove only COM translation (liquids in PBC) 
+; Bond parameters
+continuation            = yes       ; first dynamics run
+constraint_algorithm    = lincs     ; holonomic constraints
+constraints             = all-bonds ; all bonds lengths are constrained
+lincs_iter              = 1         ; accuracy of LINCS
+lincs_order             = 4         ; also related to accuracy
+; Nonbonded settings
+cutoff-scheme           = Verlet    ; Buffered neighbor searching
+ns_type                 = grid      ; search neighboring grid cells
+nstlist                 = 10        ; 10 fs, largely irrelevant with Verlet
+rcoulomb                = 1.0       ; short-range electrostatic cutoff (in nm)
+rvdw                    = 1.0       ; short-range van der Waals cutoff (in nm)
+DispCorr                = EnerPres  ; account for cut-off vdW scheme
+; Electrostatics
+coulombtype             = PME       ; Particle Mesh Ewald for long-range electrostatics
+pme_order               = 4         ; cubic interpolation
+fourierspacing          = 0.12      ; grid spacing for FFT
+; Temperature coupling is on
+tcoupl                  = Nose-Hoover       ; good for production, after equilibration
+; we define separate thermostats for the solute and solvent (need to adapt)
+; see default groups defined by Gromacs for your system or define your own (make_ndx)
+tc-grps                 = Protein  non-Protein  ; the separate groups for the thermostats
+tau-t                   = 1.0      1.0      ; time constants for thermostats (ps)
+ref-t                   = 300      300      ; reference temperature for thermostats (K)
+; Pressure coupling is off
+pcoupl                  = Parrinello-Rahman ; good for production, after equilibration
+tau-p                   = 2.0               ; time constant for barostat (ps)
+compressibility         = 4.5e-5            ; compressibility (1/bar) set to water at ~300K
+ref-p                   = 1.0               ; reference pressure for barostat (bar)
+; Periodic boundary conditions
+pbc                     = xyz       ; 3-D PBC
+; Velocity generation
+gen_vel                 = no
+; IMD group
+IMD-group               = System
+IMD-version             = 3
+IMD-nst                 = 8
+IMD-time                = yes
+IMD-box                 = yes
+IMD-coords              = no
+IMD-unwrap              = no
+IMD-forces              = no
+IMD-vels                = yes
+IMD-energies            = no
diff --git a/gromacs-demos/vacf/imdreader.log b/gromacs-demos/vacf/imdreader.log
new file mode 100644
index 0000000..5154a49
--- /dev/null
+++ b/gromacs-demos/vacf/imdreader.log
@@ -0,0 +1,139 @@
+2024-11-14 11:29:27,762 - imdclient.IMDClient - INFO - Parsed 63 frames
+2024-11-14 11:31:10,543 - imdclient.IMDClient - INFO - Parsed 200 frames
+2024-11-14 11:56:53,090 - imdclient.IMDClient - INFO - Parsed 1032 frames
+2024-11-14 11:56:53,090 - imdclient.IMDClient - INFO - Parsed 1032 frames
+2024-11-14 11:56:53,090 - imdclient.IMDClient - INFO - Parsed 1032 frames
+2024-11-14 12:14:45,608 - imdclient.IMDClient - INFO - Parsed 3126 frames
+2024-11-15 11:26:42,832 - imdclient.IMDClient - INFO - Parsed 242 frames
+2024-11-15 11:29:59,980 - imdclient.IMDClient - INFO - Parsed 368 frames
+2024-11-15 11:29:59,980 - imdclient.IMDClient - INFO - Parsed 368 frames
+2024-11-19 11:40:03,661 - imdclient.IMDClient - INFO - Parsed 3126 frames
+2024-11-20 11:23:33,248 - imdclient.IMDClient - INFO - Parsed 658 frames
+2024-11-20 17:47:37,419 - imdclient.IMDClient - INFO - Parsed 950 frames
+2024-11-20 17:49:17,983 - imdclient.IMDClient - INFO - Parsed 9 frames
+2024-11-20 17:49:17,983 - imdclient.IMDClient - INFO - Parsed 9 frames
+2024-11-20 17:50:29,314 - imdclient.IMDClient - INFO - Parsed 487 frames
+2024-11-20 17:50:29,314 - imdclient.IMDClient - INFO - Parsed 487 frames
+2024-11-20 17:50:29,314 - imdclient.IMDClient - INFO - Parsed 487 frames
+2024-11-20 17:51:10,677 - imdclient.IMDClient - INFO - Parsed 287 frames
+2024-11-20 17:51:10,677 - imdclient.IMDClient - INFO - Parsed 287 frames
+2024-11-20 17:51:10,677 - imdclient.IMDClient - INFO - Parsed 287 frames
+2024-11-20 17:51:10,677 - imdclient.IMDClient - INFO - Parsed 287 frames
+2024-11-20 17:51:47,083 - imdclient.IMDClient - INFO - Parsed 259 frames
+2024-11-20 17:51:47,083 - imdclient.IMDClient - INFO - Parsed 259 frames
+2024-11-20 17:51:47,083 - imdclient.IMDClient - INFO - Parsed 259 frames
+2024-11-20 17:51:47,083 - imdclient.IMDClient - INFO - Parsed 259 frames
+2024-11-20 17:51:47,083 - imdclient.IMDClient - INFO - Parsed 259 frames
+2024-11-20 17:58:52,086 - imdclient.IMDClient - INFO - Parsed 118 frames
+2024-11-20 18:00:27,665 - imdclient.IMDClient - INFO - Parsed 255 frames
+2024-11-20 18:00:27,665 - imdclient.IMDClient - INFO - Parsed 255 frames
+2024-11-20 18:09:20,440 - imdclient.IMDClient - INFO - Parsed 1 frames
+2024-11-20 18:09:47,407 - imdclient.IMDClient - INFO - Parsed 3 frames
+2024-11-20 18:09:47,407 - imdclient.IMDClient - INFO - Parsed 3 frames
+2024-11-20 18:39:34,249 - imdclient.IMDClient - INFO - Parsed 138 frames
+2024-11-20 18:41:00,368 - imdclient.IMDClient - INFO - Parsed 309 frames
+2024-11-20 18:41:00,368 - imdclient.IMDClient - INFO - Parsed 309 frames
+2024-11-20 18:41:53,435 - imdclient.IMDClient - INFO - Parsed 178 frames
+2024-11-20 18:41:53,435 - imdclient.IMDClient - INFO - Parsed 178 frames
+2024-11-20 18:41:53,435 - imdclient.IMDClient - INFO - Parsed 178 frames
+2024-11-20 18:43:04,857 - imdclient.IMDClient - INFO - Parsed 208 frames
+2024-11-20 18:43:04,857 - imdclient.IMDClient - INFO - Parsed 208 frames
+2024-11-20 18:43:04,857 - imdclient.IMDClient - INFO - Parsed 208 frames
+2024-11-20 18:43:04,857 - imdclient.IMDClient - INFO - Parsed 208 frames
+2024-11-20 18:54:00,943 - imdclient.IMDClient - INFO - Parsed 778 frames
+2024-11-20 18:56:25,123 - imdclient.IMDClient - INFO - Parsed 373 frames
+2024-11-20 18:56:25,123 - imdclient.IMDClient - INFO - Parsed 373 frames
+2024-11-20 18:57:46,316 - imdclient.IMDClient - INFO - Parsed 26 frames
+2024-11-20 18:57:46,316 - imdclient.IMDClient - INFO - Parsed 26 frames
+2024-11-20 18:57:46,316 - imdclient.IMDClient - INFO - Parsed 26 frames
+2024-11-20 18:58:58,910 - imdclient.IMDClient - INFO - Parsed 247 frames
+2024-11-20 18:58:58,910 - imdclient.IMDClient - INFO - Parsed 247 frames
+2024-11-20 18:58:58,910 - imdclient.IMDClient - INFO - Parsed 247 frames
+2024-11-20 18:58:58,910 - imdclient.IMDClient - INFO - Parsed 247 frames
+2024-11-20 19:10:17,605 - imdclient.IMDClient - INFO - Parsed 3126 frames
+2024-11-20 19:10:17,605 - imdclient.IMDClient - INFO - Parsed 3126 frames
+2024-11-20 19:10:17,605 - imdclient.IMDClient - INFO - Parsed 3126 frames
+2024-11-20 19:10:17,605 - imdclient.IMDClient - INFO - Parsed 3126 frames
+2024-11-20 19:10:17,605 - imdclient.IMDClient - INFO - Parsed 3126 frames
+2024-11-20 19:11:29,729 - imdclient.IMDClient - INFO - Parsed 44 frames
+2024-11-20 19:11:29,729 - imdclient.IMDClient - INFO - Parsed 44 frames
+2024-11-20 19:11:29,729 - imdclient.IMDClient - INFO - Parsed 44 frames
+2024-11-20 19:11:29,729 - imdclient.IMDClient - INFO - Parsed 44 frames
+2024-11-20 19:11:29,729 - imdclient.IMDClient - INFO - Parsed 44 frames
+2024-11-20 19:11:29,729 - imdclient.IMDClient - INFO - Parsed 44 frames
+2024-11-20 19:20:41,617 - imdclient.IMDClient - INFO - Parsed 3082 frames
+2024-11-20 19:20:41,617 - imdclient.IMDClient - INFO - Parsed 3082 frames
+2024-11-20 19:20:41,617 - imdclient.IMDClient - INFO - Parsed 3082 frames
+2024-11-20 19:20:41,617 - imdclient.IMDClient - INFO - Parsed 3082 frames
+2024-11-20 19:20:41,617 - imdclient.IMDClient - INFO - Parsed 3082 frames
+2024-11-20 19:20:41,617 - imdclient.IMDClient - INFO - Parsed 3082 frames
+2024-11-20 19:20:41,617 - imdclient.IMDClient - INFO - Parsed 3082 frames
+2024-11-20 20:14:15,389 - imdclient.IMDClient - INFO - Parsed 303 frames
+2024-11-20 20:14:15,389 - imdclient.IMDClient - INFO - Parsed 303 frames
+2024-11-20 20:14:15,389 - imdclient.IMDClient - INFO - Parsed 303 frames
+2024-11-20 20:14:15,389 - imdclient.IMDClient - INFO - Parsed 303 frames
+2024-11-20 20:14:15,389 - imdclient.IMDClient - INFO - Parsed 303 frames
+2024-11-20 20:20:25,324 - imdclient.IMDClient - INFO - Parsed 337 frames
+2024-11-20 20:23:04,235 - imdclient.IMDClient - INFO - Parsed 105 frames
+2024-11-20 20:23:04,235 - imdclient.IMDClient - INFO - Parsed 105 frames
+2024-11-20 20:25:14,369 - imdclient.IMDClient - INFO - Parsed 106 frames
+2024-11-20 20:25:14,369 - imdclient.IMDClient - INFO - Parsed 106 frames
+2024-11-20 20:25:14,369 - imdclient.IMDClient - INFO - Parsed 106 frames
+2024-11-20 20:26:32,546 - imdclient.IMDClient - INFO - Parsed 76 frames
+2024-11-20 20:26:32,546 - imdclient.IMDClient - INFO - Parsed 76 frames
+2024-11-20 20:26:32,546 - imdclient.IMDClient - INFO - Parsed 76 frames
+2024-11-20 20:26:32,546 - imdclient.IMDClient - INFO - Parsed 76 frames
+2024-11-20 20:32:05,845 - imdclient.IMDClient - INFO - Parsed 608 frames
+2024-11-20 20:32:43,482 - imdclient.IMDClient - INFO - Parsed 455 frames
+2024-11-20 20:32:43,482 - imdclient.IMDClient - INFO - Parsed 455 frames
+2024-11-20 20:33:42,577 - imdclient.IMDClient - INFO - Parsed 446 frames
+2024-11-20 20:33:42,577 - imdclient.IMDClient - INFO - Parsed 446 frames
+2024-11-20 20:33:42,577 - imdclient.IMDClient - INFO - Parsed 446 frames
+2024-11-20 20:39:16,276 - imdclient.IMDClient - INFO - Parsed 522 frames
+2024-11-20 20:39:42,412 - imdclient.IMDClient - INFO - Parsed 260 frames
+2024-11-20 20:39:42,412 - imdclient.IMDClient - INFO - Parsed 260 frames
+2024-11-21 06:49:48,501 - imdclient.IMDClient - INFO - Parsed 1913 frames
+2024-11-21 06:55:35,490 - imdclient.IMDClient - INFO - Parsed 844 frames
+2024-11-21 06:56:13,066 - imdclient.IMDClient - INFO - Parsed 103 frames
+2024-11-21 06:56:13,066 - imdclient.IMDClient - INFO - Parsed 103 frames
+2024-11-21 06:57:09,594 - imdclient.IMDClient - INFO - Parsed 604 frames
+2024-11-21 06:57:09,594 - imdclient.IMDClient - INFO - Parsed 604 frames
+2024-11-21 06:57:09,594 - imdclient.IMDClient - INFO - Parsed 604 frames
+2024-11-21 06:57:09,594 - imdclient.IMDClient - INFO - Parsed 604 frames
+2024-11-21 07:13:06,546 - imdclient.IMDClient - INFO - Parsed 171 frames
+2024-11-21 07:13:06,546 - imdclient.IMDClient - INFO - Parsed 171 frames
+2024-11-21 07:13:06,546 - imdclient.IMDClient - INFO - Parsed 171 frames
+2024-11-21 07:13:06,546 - imdclient.IMDClient - INFO - Parsed 171 frames
+2024-11-21 07:13:06,546 - imdclient.IMDClient - INFO - Parsed 171 frames
+2024-11-21 07:32:22,935 - imdclient.IMDClient - INFO - Parsed 448 frames
+2024-11-21 07:32:22,935 - imdclient.IMDClient - INFO - Parsed 448 frames
+2024-11-21 07:32:22,935 - imdclient.IMDClient - INFO - Parsed 448 frames
+2024-11-21 07:32:22,935 - imdclient.IMDClient - INFO - Parsed 448 frames
+2024-11-21 07:32:22,935 - imdclient.IMDClient - INFO - Parsed 448 frames
+2024-11-21 07:32:22,935 - imdclient.IMDClient - INFO - Parsed 448 frames
+2024-11-21 07:43:08,295 - imdclient.IMDClient - INFO - Parsed 104 frames
+2024-11-21 07:43:08,295 - imdclient.IMDClient - INFO - Parsed 104 frames
+2024-11-21 07:43:08,295 - imdclient.IMDClient - INFO - Parsed 104 frames
+2024-11-21 07:43:08,295 - imdclient.IMDClient - INFO - Parsed 104 frames
+2024-11-21 07:43:08,295 - imdclient.IMDClient - INFO - Parsed 104 frames
+2024-11-21 07:43:08,295 - imdclient.IMDClient - INFO - Parsed 104 frames
+2024-11-21 07:43:08,295 - imdclient.IMDClient - INFO - Parsed 104 frames
+2024-11-21 07:43:41,155 - imdclient.IMDClient - INFO - Parsed 281 frames
+2024-11-21 07:43:41,155 - imdclient.IMDClient - INFO - Parsed 281 frames
+2024-11-21 07:43:41,155 - imdclient.IMDClient - INFO - Parsed 281 frames
+2024-11-21 07:43:41,155 - imdclient.IMDClient - INFO - Parsed 281 frames
+2024-11-21 07:43:41,155 - imdclient.IMDClient - INFO - Parsed 281 frames
+2024-11-21 07:43:41,155 - imdclient.IMDClient - INFO - Parsed 281 frames
+2024-11-21 07:43:41,155 - imdclient.IMDClient - INFO - Parsed 281 frames
+2024-11-21 07:43:41,155 - imdclient.IMDClient - INFO - Parsed 281 frames
+2024-11-21 08:08:23,598 - imdclient.IMDClient - INFO - Parsed 794 frames
+2024-11-21 08:08:23,598 - imdclient.IMDClient - INFO - Parsed 794 frames
+2024-11-21 08:08:23,598 - imdclient.IMDClient - INFO - Parsed 794 frames
+2024-11-21 08:08:23,598 - imdclient.IMDClient - INFO - Parsed 794 frames
+2024-11-21 08:08:23,598 - imdclient.IMDClient - INFO - Parsed 794 frames
+2024-11-21 08:08:23,598 - imdclient.IMDClient - INFO - Parsed 794 frames
+2024-11-21 08:08:23,598 - imdclient.IMDClient - INFO - Parsed 794 frames
+2024-11-21 08:08:23,598 - imdclient.IMDClient - INFO - Parsed 794 frames
+2024-11-21 08:08:23,598 - imdclient.IMDClient - INFO - Parsed 794 frames
+2024-11-21 08:23:24,180 - imdclient.IMDClient - INFO - Parsed 3126 frames
+2024-11-21 08:37:03,919 - imdclient.IMDClient - INFO - Parsed 3126 frames
diff --git a/gromacs-demos/vacf/index.ndx b/gromacs-demos/vacf/index.ndx
new file mode 100644
index 0000000..f50d431
--- /dev/null
+++ b/gromacs-demos/vacf/index.ndx
@@ -0,0 +1,4064 @@
+[ SOLU ]
+    1     2     3     4     5     6     7     8     9    10    11    12    13    14    15 
+   16    17    18    19    20    21    22    23    24    25    26    27    28    29    30 
+   31    32    33    34    35    36    37    38    39    40    41    42    43    44    45 
+   46    47    48    49    50    51    52    53    54    55    56    57    58    59    60 
+   61    62    63    64    65    66    67    68    69    70    71    72    73    74    75 
+   76    77    78    79    80    81    82    83    84    85    86    87    88    89    90 
+   91    92    93    94    95    96    97    98    99   100   101   102   103   104   105 
+  106   107   108   109   110   111   112   113   114   115   116   117   118   119   120 
+  121   122   123   124   125   126   127   128   129   130   131   132   133   134   135 
+  136   137   138   139   140   141   142   143   144   145   146   147   148   149   150 
+  151   152   153   154   155   156   157   158   159   160   161   162   163   164   165 
+  166   167   168   169   170   171   172   173   174   175   176   177   178   179   180 
+  181   182   183   184   185   186   187   188   189   190   191   192   193   194   195 
+  196   197   198   199   200   201   202   203   204   205   206   207   208   209   210 
+  211   212   213   214   215   216   217   218   219   220   221   222   223   224   225 
+  226   227   228   229   230   231   232   233   234   235   236   237   238   239   240 
+  241   242   243   244   245   246   247   248   249   250   251   252   253   254   255 
+  256   257   258   259   260   261   262   263   264   265   266   267   268   269   270 
+  271   272   273   274   275   276   277   278   279   280   281   282   283   284   285 
+  286   287   288   289   290   291   292   293   294   295   296   297   298   299   300 
+  301   302   303   304   305   306   307   308   309   310   311   312   313   314   315 
+  316   317   318   319   320   321   322   323   324   325   326   327   328   329   330 
+  331   332   333   334   335   336   337   338   339   340   341   342   343   344   345 
+  346   347   348   349   350   351   352   353   354   355   356   357   358   359   360 
+  361   362   363   364   365   366   367   368   369   370   371   372   373   374   375 
+  376   377   378   379   380   381   382   383   384   385   386   387   388   389   390 
+  391   392   393   394   395   396   397   398   399   400   401   402   403   404   405 
+  406   407   408   409   410   411   412   413   414   415   416   417   418   419   420 
+  421   422   423   424   425   426   427   428   429   430   431   432   433   434   435 
+  436   437   438   439   440   441   442   443   444   445   446   447   448   449   450 
+  451   452   453   454   455   456   457   458   459   460   461   462   463   464   465 
+  466   467   468   469   470   471   472   473   474   475   476   477   478   479   480 
+  481   482   483   484   485   486   487   488   489   490   491   492   493   494   495 
+  496   497   498   499   500   501   502   503   504   505   506   507   508   509   510 
+  511   512   513   514   515   516   517   518   519   520   521   522   523   524   525 
+  526   527   528   529   530   531   532   533   534   535   536   537   538   539   540 
+  541   542   543   544   545   546   547   548   549   550   551   552   553   554   555 
+  556   557   558   559   560   561   562   563   564   565   566   567   568   569   570 
+  571   572   573   574   575   576   577   578   579   580   581   582   583   584   585 
+  586   587   588   589   590   591   592   593   594   595   596   597   598   599   600 
+  601   602   603   604   605   606   607   608   609   610   611   612   613   614   615 
+  616   617   618   619   620   621   622   623   624   625   626   627   628   629   630 
+  631   632   633   634   635   636   637   638   639   640   641   642   643   644   645 
+  646   647   648   649   650   651   652   653   654   655   656   657   658   659   660 
+  661   662   663   664   665   666   667   668   669   670   671   672   673   674   675 
+  676   677   678   679   680   681   682   683   684   685   686   687   688   689   690 
+  691   692   693   694   695   696   697   698   699   700   701   702   703   704   705 
+  706   707   708   709   710   711   712   713   714   715   716   717   718   719   720 
+  721   722   723   724   725   726   727   728   729   730   731   732   733   734   735 
+  736   737   738   739   740   741   742   743   744   745   746   747   748   749   750 
+  751   752   753   754   755   756   757   758   759   760   761   762   763   764   765 
+  766   767   768   769   770   771   772   773   774   775   776   777   778   779   780 
+  781   782   783   784   785   786   787   788   789   790   791   792   793   794   795 
+  796   797   798   799   800   801   802   803   804   805   806   807   808   809   810 
+  811   812   813   814   815   816   817   818   819   820   821   822   823   824   825 
+  826   827   828   829   830   831   832   833   834   835   836   837   838   839   840 
+  841   842   843   844   845   846   847   848   849   850   851   852   853   854   855 
+  856   857   858   859   860   861   862   863   864   865   866   867   868   869   870 
+  871   872   873   874   875   876   877   878   879   880   881   882   883   884   885 
+  886   887   888   889   890   891   892   893   894   895   896   897   898   899   900 
+  901   902   903   904   905   906   907   908   909   910   911   912   913   914   915 
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+
diff --git a/gromacs-demos/vacf/input-streaming.mdp b/gromacs-demos/vacf/input-streaming.mdp
new file mode 100644
index 0000000..6e91fce
--- /dev/null
+++ b/gromacs-demos/vacf/input-streaming.mdp
@@ -0,0 +1,50 @@
+integrator              = md
+dt                      = 0.002
+nsteps                  = 500000
+;nstxout-compressed      = 50000
+nstxout                 = 0
+nstvout                 = 0
+nstfout                 = 0
+nstcalcenergy           = 100
+nstenergy               = 1000
+nstlog                  = 1000
+;
+cutoff-scheme           = Verlet
+nstlist                 = 20
+vdwtype                 = Cut-off
+vdw-modifier            = Force-switch
+rvdw_switch             = 1.0
+rvdw                    = 1.2
+rlist                   = 1.2
+rcoulomb                = 1.2
+coulombtype             = PME
+;
+tcoupl                  = v-rescale
+tc_grps                 = SOLU SOLV
+tau_t                   = 1.0 1.0
+ref_t                   = 303.15 303.15
+;
+pcoupl                  = C-rescale
+pcoupltype              = isotropic
+tau_p                   = 5.0
+compressibility         = 4.5e-5
+ref_p                   = 1.0
+;
+constraints             = h-bonds
+constraint_algorithm    = LINCS
+continuation            = yes
+;
+nstcomm                 = 100
+comm_mode               = linear
+comm_grps               = SOLU SOLV
+;
+IMD-group               = System
+IMD-version             = 3
+IMD-nst                 = 10
+IMD-time      		= Yes
+IMD-coords		= No
+IMD-vels		= Yes
+IMD-forces		= No
+IMD-box			= Yes
+IMD-unwrap		= Yes
+IMD-energies		= No
diff --git a/gromacs-demos/vacf/libvdos.so b/gromacs-demos/vacf/libvdos.so
new file mode 100644
index 0000000..1d262d7
Binary files /dev/null and b/gromacs-demos/vacf/libvdos.so differ
diff --git a/gromacs-demos/vacf/mda.tpr b/gromacs-demos/vacf/mda.tpr
new file mode 100644
index 0000000..5ccebca
Binary files /dev/null and b/gromacs-demos/vacf/mda.tpr differ
diff --git a/gromacs-demos/vacf/run.sh b/gromacs-demos/vacf/run.sh
new file mode 100644
index 0000000..453217e
--- /dev/null
+++ b/gromacs-demos/vacf/run.sh
@@ -0,0 +1,33 @@
+#!/bin/bash
+
+echo "setting GROMACS version"
+source /scratch/hcho96/Research/imd-v3/gromacs-imd-v3/bin/GMXRC
+
+if [ ! -f libvdos.so ]; then
+echo "compiling C libraries"
+#gcc -O3 -fopenmp -fpic -lgsl -lgslcblas -c vdos.c
+gcc -L/home/hcho96/.conda/envs/imdclient/lib -I/home/hcho96/.conda/envs/imdclient/include -O3 -fopenmp -fpic -lgsl -lgslcblas -c vdos.c
+#gcc -shared -lgomp -lgsl -lgslcblas vdos.o -o libvdos.so
+gcc -L/home/hcho96/.conda/envs/imdclient/lib -I/home/hcho96/.conda/envs/imdclient/include -shared -lgomp -lgsl -lgslcblas vdos.o -o libvdos.so
+fi
+
+mkdir -p imd
+cd imd
+if [ ! -f topol.tpr ]; then
+echo "running grompp"
+#Original system
+gmx grompp -f ../imd.mdp -c ../start.gro -p ../topol.top -o >& grompp.out
+#Smaller system
+#gmx grompp -f ../input-streaming.mdp -c ../test-start.gro -p ../test-topol.top -n ../index.ndx -o >& grompp.out
+fi
+echo "starting mdrun"
+#echo ""
+#echo "**************************************************************"
+#echo "wait a few seconds, then:"
+#echo "run (in separate terminal): python demo.py"
+#echo "**************************************************************"
+#echo ""
+# modify gromacs execution string according to available resources
+# here we use 2 parallel threads
+gmx mdrun -v -nt 12 -imdwait -imdport 8894
+cd ..
diff --git a/gromacs-demos/vacf/start.gro b/gromacs-demos/vacf/start.gro
new file mode 100644
index 0000000..40a9dec
--- /dev/null
+++ b/gromacs-demos/vacf/start.gro
@@ -0,0 +1,50789 @@
+HEN EGG WHITE LYSOZYME in water
+50786
+    1LYS      N    1   4.400   2.940   3.103 -0.0153 -0.5436 -0.3946
+    1LYS     H1    2   4.385   2.979   3.194 -0.3971 -0.7385 -0.3734
+    1LYS     H2    3   4.405   2.839   3.098  0.4195 -0.5513  0.2184
+    1LYS     H3    4   4.486   2.978   3.065 -1.4100  1.4715 -1.6256
+    1LYS     CA    5   4.305   2.988   3.002 -0.2475  0.1503  0.1539
+    1LYS     HA    6   4.318   2.933   2.909  1.4005 -2.0418  1.6538
+    1LYS     CB    7   4.168   2.951   3.059 -0.1617  0.4389  0.5488
+    1LYS    HB1    8   4.156   2.993   3.159  0.3583  0.0112  0.7925
+    1LYS    HB2    9   4.154   2.844   3.070  0.2590  0.4387  1.0637
+    1LYS     CG   10   4.054   3.000   2.969  0.0376  0.0612  0.0877
+    1LYS    HG1   11   4.081   2.973   2.867  2.5582 -1.8496  1.1877
+    1LYS    HG2   12   4.042   3.107   2.983 -0.7496  0.2703 -2.1137
+    1LYS     CD   13   3.912   2.946   2.987  0.0448 -0.1312 -0.4205
+    1LYS    HD1   14   3.877   2.969   3.088 -1.3276 -0.1073 -0.8935
+    1LYS    HD2   15   3.902   2.839   2.975 -1.5282 -0.0075 -0.3181
+    1LYS     CE   16   3.818   2.997   2.878 -0.1378 -0.3268 -0.3541
+    1LYS    HE1   17   3.845   2.950   2.784  0.4382  0.1159 -0.4135
+    1LYS    HE2   18   3.842   3.102   2.865 -2.4036 -0.0489 -2.4163
+    1LYS     NZ   19   3.677   2.976   2.913  0.0140 -0.2736  0.2921
+    1LYS    HZ1   20   3.664   2.877   2.900  0.6212 -0.4987  1.2738
+    1LYS    HZ2   21   3.658   2.997   3.010 -0.1461 -0.8465  0.3879
+    1LYS    HZ3   22   3.611   3.018   2.849 -0.4183  0.2144  1.0493
+    1LYS      C   23   4.328   3.137   2.979  0.2817 -0.0215 -0.4537
+    1LYS      O   24   4.324   3.214   3.075 -0.2122 -0.0561 -0.4440
+    2VAL      N   25   4.329   3.181   2.853  0.3383  0.1731 -0.3868
+    2VAL      H   26   4.292   3.114   2.787 -0.1627  2.7018 -2.7286
+    2VAL     CA   27   4.310   3.322   2.824 -0.0137  0.1851 -0.1089
+    2VAL     HA   28   4.328   3.373   2.919 -0.2503  2.0987 -1.0711
+    2VAL     CB   29   4.415   3.380   2.729 -0.0421  0.0907 -0.1974
+    2VAL     HB   30   4.394   3.347   2.628 -0.1365  0.2757 -0.2376
+    2VAL    CG1   31   4.417   3.532   2.729  0.6542  0.0818 -0.5473
+    2VAL   HG11   32   4.485   3.568   2.653 -0.7550  2.2094 -0.8400
+    2VAL   HG12   33   4.323   3.574   2.693 -0.9964 -2.4867  0.5753
+    2VAL   HG13   34   4.451   3.583   2.820 -0.0390  0.9143 -0.7489
+    2VAL    CG2   35   4.554   3.328   2.764  0.1727  0.4443 -0.5238
+    2VAL   HG21   36   4.570   3.345   2.870  0.9195 -0.3801 -0.4945
+    2VAL   HG22   37   4.563   3.220   2.748 -1.4336 -0.1510  2.2182
+    2VAL   HG23   38   4.627   3.381   2.703  1.3474 -1.9061 -1.2107
+    2VAL      C   39   4.168   3.348   2.778  0.2373  0.6156 -0.6431
+    2VAL      O   40   4.125   3.302   2.672  0.3254 -0.3351 -0.2728
+    3PHE      N   41   4.088   3.412   2.864 -0.3054 -0.3490 -0.4190
+    3PHE      H   42   4.133   3.446   2.949 -2.4168  1.7973 -0.1164
+    3PHE     CA   43   3.957   3.460   2.828 -0.3999 -0.5409 -0.3308
+    3PHE     HA   44   3.899   3.375   2.790 -1.3298 -0.0495 -0.0380
+    3PHE     CB   45   3.885   3.509   2.953  0.1360 -0.2664 -0.1316
+    3PHE    HB1   46   3.805   3.573   2.917  0.1714 -0.0111  0.2442
+    3PHE    HB2   47   3.949   3.566   3.021 -1.7502  1.0564  0.5516
+    3PHE     CG   48   3.832   3.403   3.047  0.0059 -0.4895 -0.4568
+    3PHE    CD1   49   3.912   3.342   3.145 -0.1819 -0.1908 -0.1157
+    3PHE    HD1   50   4.012   3.379   3.164 -1.0463  1.7860  0.6851
+    3PHE    CE1   51   3.865   3.236   3.223 -0.3358 -0.2256 -0.2547
+    3PHE    HE1   52   3.917   3.197   3.310 -1.2275  4.3463  2.5066
+    3PHE     CZ   53   3.731   3.201   3.204 -0.4810  0.0538  0.2468
+    3PHE     HZ   54   3.687   3.117   3.256 -0.7658 -0.6486 -1.1119
+    3PHE    CE2   55   3.641   3.269   3.121 -0.3132 -0.1609 -0.1094
+    3PHE    HE2   56   3.538   3.243   3.103 -0.5208  0.6341 -0.0515
+    3PHE    CD2   57   3.697   3.368   3.039 -0.0493 -0.3497 -0.1579
+    3PHE    HD2   58   3.638   3.397   2.954 -1.1031 -0.5093  0.5136
+    3PHE      C   59   3.959   3.571   2.724 -0.2368 -0.0961  0.1484
+    3PHE      O   60   4.046   3.658   2.720 -0.6147  0.2700 -0.2340
+    4GLY      N   61   3.861   3.565   2.634  0.0546 -0.2022 -0.1649
+    4GLY      H   62   3.808   3.479   2.644  4.0068 -2.5730  1.3760
+    4GLY     CA   63   3.799   3.672   2.559  0.0608  0.3000  0.5415
+    4GLY    HA1   64   3.726   3.634   2.487  0.4735  0.5924 -0.0280
+    4GLY    HA2   65   3.874   3.728   2.504 -0.3253  1.7648  1.4611
+    4GLY      C   66   3.727   3.774   2.647 -0.3811  0.0416  0.4807
+    4GLY      O   67   3.693   3.744   2.761 -0.3006  0.3149  0.5770
+    5ARG      N   68   3.705   3.895   2.597  0.8462  0.0735 -0.0084
+    5ARG      H   69   3.744   3.916   2.506 -0.3535  1.8770 -0.1319
+    5ARG     CA   70   3.652   4.009   2.670  0.0709 -0.3544  0.1070
+    5ARG     HA   71   3.702   4.006   2.767  0.7226  1.4626 -0.1462
+    5ARG     CB   72   3.681   4.134   2.588  0.3171  0.0517  0.8074
+    5ARG    HB1   73   3.622   4.119   2.497  2.2519  0.1621 -0.4961
+    5ARG    HB2   74   3.787   4.133   2.561  0.2173 -0.0613  0.4114
+    5ARG     CG   75   3.641   4.268   2.649  0.0715  0.3818 -0.0625
+    5ARG    HG1   76   3.711   4.298   2.727 -1.8237  0.1618  1.7651
+    5ARG    HG2   77   3.545   4.256   2.698 -0.0406  3.0078  0.4380
+    5ARG     CD   78   3.644   4.395   2.566  0.2876  0.2479 -0.2601
+    5ARG    HD1   79   3.745   4.418   2.531 -0.0852 -1.3973 -2.5864
+    5ARG    HD2   80   3.605   4.481   2.621  1.7857  0.3001  0.7475
+    5ARG     NE   81   3.574   4.379   2.438 -0.1642  0.4140 -0.0340
+    5ARG     HE   82   3.624   4.355   2.354 -0.2229 -1.1533  0.3791
+    5ARG     CZ   83   3.446   4.412   2.416 -0.3189 -0.1040  0.0888
+    5ARG    NH1   84   3.368   4.449   2.518 -0.3066  0.4119 -0.0861
+    5ARG   HH11   85   3.391   4.454   2.616  0.5067  1.3180 -0.3141
+    5ARG   HH12   86   3.275   4.474   2.487 -0.7419 -1.2641 -0.1557
+    5ARG    NH2   87   3.376   4.402   2.302 -0.0344 -0.1642 -0.0800
+    5ARG   HH21   88   3.400   4.340   2.226 -1.7485 -1.9825  0.8309
+    5ARG   HH22   89   3.281   4.436   2.298 -1.6029 -4.0158  1.7882
+    5ARG      C   90   3.505   3.986   2.703  0.0334 -0.3488 -0.0527
+    5ARG      O   91   3.471   4.004   2.820  0.0514  0.3415 -0.1572
+    6CYS      N   92   3.420   3.943   2.609  0.1598 -0.5139 -0.0925
+    6CYS      H   93   3.467   3.911   2.526 -1.5685  2.2086 -2.1713
+    6CYS     CA   94   3.279   3.914   2.620  0.0983 -0.1142  0.2121
+    6CYS     HA   95   3.227   3.990   2.678 -1.2091 -0.7151 -0.1507
+    6CYS     CB   96   3.213   3.910   2.482 -0.3425  0.7277  0.3950
+    6CYS    HB1   97   3.120   3.854   2.485  0.1384 -0.0290  2.2071
+    6CYS    HB2   98   3.268   3.834   2.425 -1.0900  1.8741 -1.9093
+    6CYS     SG   99   3.214   4.063   2.386 -0.3474  0.3204 -0.2559
+    6CYS      C  100   3.258   3.783   2.695  0.3075  0.1945  0.8084
+    6CYS      O  101   3.166   3.776   2.777 -0.4068  0.1936  0.0201
+    7GLU      N  102   3.340   3.682   2.669 -0.8719 -0.6373  0.2639
+    7GLU      H  103   3.402   3.697   2.590 -1.0084 -2.3151 -0.1819
+    7GLU     CA  104   3.343   3.551   2.731  0.0382 -0.5604  0.3907
+    7GLU     HA  105   3.245   3.508   2.713  0.4858 -1.0268 -0.9857
+    7GLU     CB  106   3.453   3.466   2.666  0.2286  0.0578 -0.1028
+    7GLU    HB1  107   3.549   3.515   2.679  0.8621 -1.1130 -0.3874
+    7GLU    HB2  108   3.434   3.449   2.560  2.8302  0.8082 -0.7099
+    7GLU     CG  109   3.464   3.332   2.738  0.2305  0.3471  0.4460
+    7GLU    HG1  110   3.369   3.278   2.734 -2.0013  4.0033  1.4718
+    7GLU    HG2  111   3.478   3.341   2.845  1.2923  1.0800  0.2495
+    7GLU     CD  112   3.575   3.242   2.686 -0.2392 -0.1589  0.3125
+    7GLU    OE1  113   3.677   3.290   2.633 -0.3118 -0.3528 -0.0017
+    7GLU    OE2  114   3.562   3.119   2.705  0.1283 -0.1475  0.6531
+    7GLU      C  115   3.358   3.572   2.881 -0.5349  0.4017  0.3171
+    7GLU      O  116   3.285   3.512   2.959 -0.2971 -0.3644 -0.0421
+    8LEU      N  117   3.449   3.660   2.923 -0.6362  0.6184  0.0822
+    8LEU      H  118   3.506   3.714   2.860 -2.1850  2.3235  0.0966
+    8LEU     CA  119   3.463   3.681   3.066 -0.3798  0.1582  0.1247
+    8LEU     HA  120   3.464   3.580   3.108 -0.5826 -0.6337 -1.7433
+    8LEU     CB  121   3.599   3.748   3.080 -0.3704  0.1536  0.0565
+    8LEU    HB1  122   3.614   3.841   3.026 -0.2073 -0.9842 -1.8879
+    8LEU    HB2  123   3.675   3.680   3.040 -0.9640 -0.5288  0.0798
+    8LEU     CG  124   3.642   3.772   3.225  0.7125  0.2420 -0.2728
+    8LEU     HG  125   3.573   3.844   3.269  0.0292  0.2922 -1.4098
+    8LEU    CD1  126   3.629   3.640   3.300  0.6878  0.1361 -0.4632
+    8LEU   HD11  127   3.686   3.655   3.392 -1.3270 -0.1427  0.8660
+    8LEU   HD12  128   3.524   3.625   3.326  0.4519  0.7517 -1.0614
+    8LEU   HD13  129   3.678   3.560   3.244  1.9469  0.8947 -0.4573
+    8LEU    CD2  130   3.785   3.823   3.238  0.7629 -0.1308  0.6750
+    8LEU   HD21  131   3.797   3.910   3.173  0.9989 -0.2074  0.6158
+    8LEU   HD22  132   3.808   3.857   3.339  0.3293  0.6010  0.5294
+    8LEU   HD23  133   3.860   3.752   3.203  2.2730  1.9621 -0.4492
+    8LEU      C  134   3.351   3.762   3.130 -0.5111 -0.0868  0.2065
+    8LEU      O  135   3.318   3.734   3.245  0.1788  0.0315  0.4348
+    9ALA      N  136   3.306   3.864   3.057  0.1209 -0.1046 -0.2103
+    9ALA      H  137   3.344   3.883   2.965  0.6812 -0.8574 -0.1427
+    9ALA     CA  138   3.188   3.932   3.107  0.0015  0.0825 -0.7442
+    9ALA     HA  139   3.220   3.989   3.194  2.1405 -0.2774 -1.2532
+    9ALA     CB  140   3.137   4.033   3.005 -0.6063  0.5010 -0.0282
+    9ALA    HB1  141   3.214   4.110   2.994 -0.4613  0.8101  2.7628
+    9ALA    HB2  142   3.108   3.985   2.911 -1.5293  0.4806  0.2704
+    9ALA    HB3  143   3.047   4.083   3.040  0.1717  1.5658  0.4869
+    9ALA      C  144   3.074   3.836   3.136  0.2271  0.0678  0.0965
+    9ALA      O  145   3.035   3.833   3.253  0.0158  0.1564  0.0298
+   10ALA      N  146   3.032   3.759   3.035 -0.4732  0.0903  0.3674
+   10ALA      H  147   3.074   3.766   2.944 -1.0787  0.3577  0.1006
+   10ALA     CA  148   2.930   3.657   3.044 -0.4764  0.0618  0.0179
+   10ALA     HA  149   2.842   3.713   3.078 -0.6932 -0.4615  0.3271
+   10ALA     CB  150   2.900   3.601   2.905 -0.3251  0.2917 -0.1064
+   10ALA    HB1  151   2.846   3.672   2.843 -0.4092 -0.1142 -0.4964
+   10ALA    HB2  152   2.992   3.561   2.862 -1.0289  0.6903 -2.0011
+   10ALA    HB3  153   2.832   3.518   2.923  0.3492 -0.0648  0.8734
+   10ALA      C  154   2.959   3.565   3.162  0.1999  0.4399  0.1443
+   10ALA      O  155   2.869   3.555   3.245 -0.3606  0.0775 -0.5109
+   11ALA      N  156   3.081   3.519   3.193  0.0371 -0.0768  0.0064
+   11ALA      H  157   3.153   3.546   3.128  0.1554  1.6309  0.8203
+   11ALA     CA  158   3.109   3.440   3.312 -0.3264 -0.4081 -0.1236
+   11ALA     HA  159   3.038   3.358   3.315 -1.7611  0.8372  0.7496
+   11ALA     CB  160   3.240   3.363   3.300 -0.1247 -0.1664  0.5357
+   11ALA    HB1  161   3.246   3.306   3.393  2.1969  0.5314  0.8637
+   11ALA    HB2  162   3.234   3.284   3.225 -0.1931 -1.0354  1.4429
+   11ALA    HB3  163   3.330   3.424   3.290 -1.2211  1.6294  1.4936
+   11ALA      C  164   3.109   3.512   3.446  0.5884 -0.1233 -0.2684
+   11ALA      O  165   3.035   3.467   3.533  0.1791  0.1143 -0.4912
+   12MET      N  166   3.162   3.634   3.460 -0.4057  0.3106 -0.2459
+   12MET      H  167   3.224   3.664   3.387 -0.0566  0.6171  0.1728
+   12MET     CA  168   3.149   3.718   3.577  0.0827  0.3407 -0.2117
+   12MET     HA  169   3.189   3.670   3.666  1.2662  1.8297  0.0828
+   12MET     CB  170   3.231   3.845   3.557  0.3316  0.2257  0.0849
+   12MET    HB1  171   3.220   3.912   3.642  3.5055  2.2184 -0.9974
+   12MET    HB2  172   3.206   3.912   3.475  1.3794 -0.3085 -0.6800
+   12MET     CG  173   3.382   3.830   3.541  0.4104  0.4593  0.5775
+   12MET    HG1  174   3.403   3.740   3.483  1.6985  0.4096  1.1006
+   12MET    HG2  175   3.428   3.831   3.640 -0.9279  2.4448  1.2200
+   12MET     SD  176   3.449   3.987   3.479  0.1679  0.4276  0.2311
+   12MET     CE  177   3.622   3.984   3.531  0.2083 -0.5428  0.0433
+   12MET    HE1  178   3.622   3.999   3.639 -0.3467  2.1556 -0.2980
+   12MET    HE2  179   3.674   3.888   3.524 -3.3394 -2.4799 -0.7378
+   12MET    HE3  180   3.668   4.067   3.478 -0.1742 -0.1081  0.3913
+   12MET      C  181   3.001   3.747   3.605 -0.2601 -1.7012  0.1432
+   12MET      O  182   2.961   3.743   3.720  0.6616  0.0377  0.5351
+   13LYS      N  183   2.918   3.767   3.502 -0.2524 -0.3232  0.3959
+   13LYS      H  184   2.959   3.763   3.410 -0.1505  1.0340  0.3772
+   13LYS     CA  185   2.774   3.785   3.510 -0.2830 -0.3113 -0.1823
+   13LYS     HA  186   2.754   3.873   3.572  0.5380 -0.0273 -0.3038
+   13LYS     CB  187   2.710   3.813   3.375  0.0596  0.4840 -0.1828
+   13LYS    HB1  188   2.680   3.728   3.314 -0.5734  0.2346  0.4785
+   13LYS    HB2  189   2.773   3.884   3.322  3.2411 -2.2172 -0.1663
+   13LYS     CG  190   2.579   3.884   3.406 -0.3502 -0.3888  0.0995
+   13LYS    HG1  191   2.583   3.975   3.466 -1.7273 -1.0558  1.2466
+   13LYS    HG2  192   2.507   3.820   3.457  0.4226 -0.8978  0.5485
+   13LYS     CD  193   2.512   3.939   3.280 -0.0385 -0.4979 -0.1136
+   13LYS    HD1  194   2.506   3.861   3.204 -1.2826 -1.0859  0.5759
+   13LYS    HD2  195   2.569   4.024   3.242  0.1315 -0.3699  0.4246
+   13LYS     CE  196   2.369   3.971   3.322  0.0067 -0.1571 -0.2117
+   13LYS    HE1  197   2.372   4.051   3.395 -4.0513 -1.6669  1.7787
+   13LYS    HE2  198   2.315   3.892   3.375 -0.8169 -0.2310 -1.1497
+   13LYS     NZ  199   2.295   4.015   3.203  0.1623  0.1140 -0.2083
+   13LYS    HZ1  200   2.327   4.107   3.176  0.7177  0.3064  1.0689
+   13LYS    HZ2  201   2.311   3.952   3.126 -1.6758  1.0804 -1.4313
+   13LYS    HZ3  202   2.195   4.017   3.219  0.4335  1.2078  1.5652
+   13LYS      C  203   2.700   3.670   3.577 -0.4881 -0.1103 -0.0647
+   13LYS      O  204   2.625   3.695   3.671  0.3470  0.8223  0.3538
+   14ARG      N  205   2.725   3.551   3.522  0.3794  0.1275 -0.1899
+   14ARG      H  206   2.786   3.543   3.442 -1.3619  0.7921 -1.6279
+   14ARG     CA  207   2.668   3.428   3.573  0.3285  0.5223  0.7197
+   14ARG     HA  208   2.560   3.430   3.581  0.1794  0.5897 -1.0898
+   14ARG     CB  209   2.705   3.308   3.485 -0.5950  0.5139  0.3388
+   14ARG    HB1  210   2.813   3.302   3.473 -0.7400 -2.1656  0.2316
+   14ARG    HB2  211   2.664   3.330   3.387  2.8529 -1.6894 -1.6589
+   14ARG     CG  212   2.644   3.177   3.532 -0.3852  0.2869 -0.0243
+   14ARG    HG1  213   2.536   3.191   3.538 -0.3799 -0.1865  1.5321
+   14ARG    HG2  214   2.687   3.151   3.629  1.1162  2.5782 -0.0545
+   14ARG     CD  215   2.674   3.062   3.437  0.3476  0.1652  0.3482
+   14ARG    HD1  216   2.676   3.106   3.337 -0.6981  0.9421  0.6535
+   14ARG    HD2  217   2.606   2.978   3.454  0.5226  0.4928  2.8326
+   14ARG     NE  218   2.810   3.011   3.455  0.4001  0.3234  0.4008
+   14ARG     HE  219   2.884   3.064   3.412  0.1191  2.2632  2.2157
+   14ARG     CZ  220   2.846   2.893   3.509  0.2039 -0.1271 -0.4406
+   14ARG    NH1  221   2.764   2.816   3.581  0.4519  0.4271  0.4477
+   14ARG   HH11  222   2.682   2.864   3.614 -0.5914 -1.4793  0.7371
+   14ARG   HH12  223   2.798   2.731   3.623  2.2110  0.8048 -0.1634
+   14ARG    NH2  224   2.975   2.862   3.488  0.1807 -0.7207  0.2841
+   14ARG   HH21  225   3.016   2.919   3.415 -3.2723 -0.0368 -1.2488
+   14ARG   HH22  226   3.018   2.778   3.524 -0.5867 -0.1225  2.6621
+   14ARG      C  227   2.706   3.398   3.718  0.4838 -1.4300  0.2947
+   14ARG      O  228   2.614   3.360   3.789 -0.5361  0.1510 -0.1529
+   15HIS      N  229   2.830   3.424   3.761  0.1156  0.3286  0.3341
+   15HIS      H  230   2.891   3.470   3.695  2.2571  0.6485  2.4684
+   15HIS     CA  231   2.882   3.430   3.896  0.1059  0.4694  0.3314
+   15HIS     HA  232   2.835   3.349   3.952  0.5859  1.5152  2.3004
+   15HIS     CB  233   3.032   3.404   3.903 -0.0199 -0.2538  0.3549
+   15HIS    HB1  234   3.066   3.404   4.007 -2.1812 -0.4943  1.0995
+   15HIS    HB2  235   3.085   3.484   3.852 -0.1371 -0.0644  0.5316
+   15HIS     CG  236   3.086   3.280   3.837 -0.3771 -0.2084 -0.0296
+   15HIS    ND1  237   3.094   3.251   3.702 -0.0870  0.2029 -0.0990
+   15HIS    HD1  238   3.100   3.327   3.636 -1.4308  1.5243  1.2437
+   15HIS    CE1  239   3.129   3.123   3.685 -0.4387  0.1450 -0.3896
+   15HIS    HE1  240   3.161   3.070   3.597  1.7215 -0.6146  0.7929
+   15HIS    NE2  241   3.124   3.057   3.801 -0.0933  0.0354 -0.4351
+   15HIS    CD2  242   3.104   3.157   3.897  0.4578 -0.1394 -0.1352
+   15HIS    HD2  243   3.098   3.143   4.004 -0.6621  0.9610 -0.0436
+   15HIS      C  244   2.849   3.555   3.977 -0.0386  0.6895 -0.0681
+   15HIS      O  245   2.902   3.569   4.086  0.1808 -0.2813 -0.0499
+   16GLY      N  246   2.765   3.649   3.933 -0.2760  0.2655 -0.5272
+   16GLY      H  247   2.727   3.640   3.840  0.1383 -1.1344 -0.5626
+   16GLY     CA  248   2.697   3.741   4.023 -0.2852  0.0202 -0.2849
+   16GLY    HA1  249   2.672   3.680   4.110 -0.5860 -1.2473 -1.2337
+   16GLY    HA2  250   2.606   3.786   3.984  0.7158  1.3229 -1.1511
+   16GLY      C  251   2.783   3.860   4.063 -0.0521 -0.1849 -0.1688
+   16GLY      O  252   2.784   3.901   4.178 -0.0685 -0.1049 -0.1967
+   17LEU      N  253   2.855   3.919   3.967  0.1667  0.3662  0.3291
+   17LEU      H  254   2.855   3.861   3.884  2.3271  0.5611  0.1807
+   17LEU     CA  255   2.944   4.031   3.988  0.4956  0.0899  0.4075
+   17LEU     HA  256   2.966   4.054   4.093 -0.7738  0.3238  0.6273
+   17LEU     CB  257   3.082   4.004   3.928  0.1843 -0.0718 -0.2372
+   17LEU    HB1  258   3.144   4.093   3.941  2.6400 -1.9555  1.4203
+   17LEU    HB2  259   3.081   3.977   3.822  0.5205  1.6105 -0.6914
+   17LEU     CG  260   3.177   3.908   3.998 -0.3507 -0.2306  0.2729
+   17LEU     HG  261   3.130   3.810   3.996 -1.3043  0.2194  0.4358
+   17LEU    CD1  262   3.314   3.887   3.934 -0.1873  0.1508  0.4928
+   17LEU   HD11  263   3.360   3.981   3.904 -0.7511  0.4353  0.4935
+   17LEU   HD12  264   3.380   3.833   4.001 -2.4926 -0.5712  2.2448
+   17LEU   HD13  265   3.299   3.824   3.846  2.0524  0.4762 -0.1331
+   17LEU    CD2  266   3.212   3.956   4.139 -0.0450 -0.4396  0.2689
+   17LEU   HD21  267   3.300   3.913   4.186 -0.1694 -1.0908 -0.0862
+   17LEU   HD22  268   3.227   4.064   4.138  1.5668 -0.6584 -0.9455
+   17LEU   HD23  269   3.131   3.942   4.211  0.3615 -0.0259  0.8146
+   17LEU      C  270   2.894   4.162   3.929 -0.5567 -0.2039  0.6331
+   17LEU      O  271   2.941   4.266   3.975 -0.2339  0.1834 -0.5566
+   18ASP      N  272   2.800   4.167   3.835  0.3194  0.1612 -0.2345
+   18ASP      H  273   2.748   4.081   3.823 -0.7627  0.6856  0.6485
+   18ASP     CA  274   2.749   4.289   3.777 -0.2638  0.0643  0.0757
+   18ASP     HA  275   2.830   4.352   3.739  0.7167 -0.6118  1.0294
+   18ASP     CB  276   2.660   4.258   3.657  0.3607  0.3107 -0.4481
+   18ASP    HB1  277   2.568   4.213   3.693  0.3547 -0.4280 -1.3667
+   18ASP    HB2  278   2.713   4.185   3.595  0.9402  0.5305 -0.2218
+   18ASP     CG  279   2.611   4.383   3.585 -0.2434  0.2631 -0.1134
+   18ASP    OD1  280   2.669   4.492   3.604  0.2610 -0.0687  0.2734
+   18ASP    OD2  281   2.507   4.377   3.516 -0.0393 -0.1442 -0.3877
+   18ASP      C  282   2.666   4.361   3.883 -0.0545 -0.1013  0.3521
+   18ASP      O  283   2.571   4.304   3.935  0.1172 -0.2510  0.5025
+   19ASN      N  284   2.707   4.481   3.926 -0.1559  0.1707 -0.2990
+   19ASN      H  285   2.790   4.510   3.876 -0.5231 -1.3662 -1.8799
+   19ASN     CA  286   2.659   4.565   4.033  0.1094  0.1091 -0.1311
+   19ASN     HA  287   2.728   4.649   4.021  1.3200 -0.7320  0.7553
+   19ASN     CB  288   2.516   4.618   4.025  0.1209  0.2419  0.4967
+   19ASN    HB1  289   2.508   4.703   4.093 -1.1419  0.9830 -0.5662
+   19ASN    HB2  290   2.442   4.546   4.059  1.7007 -1.6218  0.0525
+   19ASN     CG  291   2.487   4.671   3.886 -0.0883 -0.4385  0.2804
+   19ASN    OD1  292   2.534   4.780   3.852  0.2080 -0.5915  0.1965
+   19ASN    ND2  293   2.417   4.592   3.804 -0.4279 -0.4415  0.5762
+   19ASN   HD21  294   2.345   4.532   3.843 -0.4449 -1.4723 -1.0021
+   19ASN   HD22  295   2.430   4.609   3.706  0.7945 -1.9984  0.4470
+   19ASN      C  296   2.697   4.508   4.169  0.2279  0.1571 -0.1448
+   19ASN      O  297   2.647   4.562   4.267  0.2986 -0.5189  0.2725
+   20TYR      N  298   2.782   4.406   4.184 -0.2651 -0.2495 -0.0990
+   20TYR      H  299   2.841   4.371   4.109  1.2193  0.9489  0.4739
+   20TYR     CA  300   2.815   4.359   4.317  0.0514  0.1304 -0.0422
+   20TYR     HA  301   2.721   4.335   4.365 -0.2335 -2.3442 -1.7158
+   20TYR     CB  302   2.906   4.236   4.314  0.4619  0.4212  0.4476
+   20TYR    HB1  303   3.005   4.255   4.270  0.9878 -0.6749  1.1476
+   20TYR    HB2  304   2.865   4.162   4.246 -1.9602  1.1532  1.0794
+   20TYR     CG  305   2.912   4.181   4.454 -0.1987  0.4266  0.4790
+   20TYR    CD1  306   2.809   4.102   4.506 -0.2120  0.0964 -0.0568
+   20TYR    HD1  307   2.719   4.100   4.447 -1.3266 -0.7096  1.6559
+   20TYR    CE1  308   2.823   4.050   4.635 -0.0259  0.1687 -0.0468
+   20TYR    HE1  309   2.746   3.988   4.679 -0.7264  0.5942 -0.6617
+   20TYR     CZ  310   2.933   4.080   4.717 -0.1433 -0.3574  0.3086
+   20TYR     OH  311   2.943   4.029   4.843  0.0163 -0.5626  0.2128
+   20TYR     HH  312   3.024   4.067   4.877  0.3716 -0.0566 -1.1734
+   20TYR    CE2  313   3.037   4.162   4.668 -0.2279 -0.1892  0.4113
+   20TYR    HE2  314   3.126   4.186   4.724  0.1907  1.1816 -0.8155
+   20TYR    CD2  315   3.022   4.210   4.537  0.5157 -0.9849  0.0321
+   20TYR    HD2  316   3.101   4.267   4.491  0.8060  1.0926  3.0003
+   20TYR      C  317   2.880   4.471   4.396  0.4008 -0.2780  0.2505
+   20TYR      O  318   2.976   4.532   4.348 -0.1442  0.0484 -0.4221
+   21ARG      N  319   2.832   4.504   4.516  0.0259 -0.4384  0.1443
+   21ARG      H  320   2.752   4.454   4.552  1.0679 -1.6548  0.7740
+   21ARG     CA  321   2.873   4.626   4.583 -0.1425 -0.2405 -0.1121
+   21ARG     HA  322   2.795   4.638   4.658 -0.3341 -1.0193 -0.1786
+   21ARG     CB  323   3.005   4.599   4.655 -0.0654  0.4755  0.0241
+   21ARG    HB1  324   3.049   4.696   4.675  0.9776 -0.0369  0.2622
+   21ARG    HB2  325   3.079   4.558   4.586  0.5655 -0.4257  1.2003
+   21ARG     CG  326   3.013   4.499   4.771 -0.3098  0.0141 -0.3521
+   21ARG    HG1  327   3.116   4.495   4.805 -0.2380  0.9125 -0.4351
+   21ARG    HG2  328   2.981   4.399   4.744  0.0817 -0.9329  2.5291
+   21ARG     CD  329   2.920   4.535   4.886 -0.5406 -0.2655 -0.4488
+   21ARG    HD1  330   2.818   4.526   4.850 -0.0653  0.2337 -1.9254
+   21ARG    HD2  331   2.932   4.641   4.913 -2.1027 -0.0500 -0.5437
+   21ARG     NE  332   2.925   4.453   5.007  0.9171  0.0697 -0.2607
+   21ARG     HE  333   2.903   4.355   5.000  0.3668  0.1339  0.5038
+   21ARG     CZ  334   2.946   4.487   5.135  0.5539 -0.0042 -0.1807
+   21ARG    NH1  335   2.981   4.612   5.166 -0.7119  0.2261  0.3759
+   21ARG   HH11  336   2.998   4.686   5.099  2.0537  0.6884  1.4985
+   21ARG   HH12  337   2.999   4.628   5.265 -0.9040 -2.2635  0.8298
+   21ARG    NH2  338   2.938   4.399   5.236  0.0341 -0.0669 -0.2751
+   21ARG   HH21  339   2.912   4.306   5.208  1.3943 -0.7698  0.7395
+   21ARG   HH22  340   2.944   4.437   5.329  0.6341  2.3951 -1.2730
+   21ARG      C  341   2.863   4.755   4.502  0.2276 -0.3769 -0.3812
+   21ARG      O  342   2.931   4.851   4.537  0.0385 -0.5617  0.5024
+   22GLY      N  343   2.768   4.759   4.408  0.2709  0.1224 -0.4018
+   22GLY      H  344   2.711   4.678   4.391 -0.1193  0.0219  1.2669
+   22GLY     CA  345   2.740   4.871   4.321  0.2197  0.3540 -0.0892
+   22GLY    HA1  346   2.745   4.962   4.380  0.2939  0.2498  0.0650
+   22GLY    HA2  347   2.649   4.852   4.263 -1.7674 -1.3713  3.3984
+   22GLY      C  348   2.841   4.891   4.209  0.2008  0.3359 -0.1093
+   22GLY      O  349   2.835   4.996   4.146 -0.4998 -0.1429 -0.8554
+   23TYR      N  350   2.927   4.792   4.182  0.2034  0.2198  0.3157
+   23TYR      H  351   2.926   4.705   4.232 -3.0454 -0.4841 -0.8554
+   23TYR     CA  352   3.018   4.790   4.069 -0.3818  0.1216 -0.1540
+   23TYR     HA  353   3.037   4.894   4.043 -1.2295 -0.1689 -2.0155
+   23TYR     CB  354   3.158   4.745   4.110 -0.3271  0.2890 -0.1600
+   23TYR    HB1  355   3.222   4.746   4.022 -0.7586  1.7539 -0.4708
+   23TYR    HB2  356   3.156   4.641   4.145  0.3718  0.2254 -0.3054
+   23TYR     CG  357   3.218   4.825   4.223 -0.0062  0.0120 -0.1322
+   23TYR    CD1  358   3.308   4.929   4.197 -0.7850  0.6607 -0.2883
+   23TYR    HD1  359   3.332   4.951   4.094 -0.9795 -0.7942 -0.6556
+   23TYR    CE1  360   3.370   5.001   4.300 -0.0379 -0.2821 -0.0685
+   23TYR    HE1  361   3.442   5.077   4.273 -0.8978  0.2652 -0.8427
+   23TYR     CZ  362   3.335   4.969   4.432 -0.2989  0.2645 -0.0026
+   23TYR     OH  363   3.369   5.059   4.529  0.2888  0.3436 -0.2865
+   23TYR     HH  364   3.321   5.046   4.611  1.8785 -1.9603  0.3550
+   23TYR    CE2  365   3.248   4.861   4.462 -0.3034  0.1818 -0.3160
+   23TYR    HE2  366   3.228   4.831   4.563 -2.0145 -2.8583 -1.4989
+   23TYR    CD2  367   3.199   4.785   4.355 -0.2255 -0.0520 -0.1824
+   23TYR    HD2  368   3.138   4.698   4.376  0.1526 -0.4033 -0.5469
+   23TYR      C  369   2.981   4.716   3.941  0.0461 -0.2904 -0.0446
+   23TYR      O  370   2.973   4.594   3.944  0.2486 -0.2919  0.4359
+   24SER      N  371   2.954   4.793   3.835  0.4541 -0.3038 -0.1566
+   24SER      H  372   2.937   4.892   3.846  3.2259 -0.0027  2.2966
+   24SER     CA  373   2.912   4.732   3.711  0.4686 -0.0996 -0.2612
+   24SER     HA  374   2.818   4.681   3.731 -0.9099  1.9350 -1.2663
+   24SER     CB  375   2.871   4.844   3.614 -0.4754  0.1561  0.4227
+   24SER    HB1  376   2.799   4.911   3.660  1.9410  2.5796  0.8032
+   24SER    HB2  377   2.823   4.790   3.532  1.3483  0.3357 -0.7895
+   24SER     OG  378   2.975   4.930   3.575 -0.5482  0.1767  0.2769
+   24SER     HG  379   2.935   4.976   3.500 -1.1561 -1.7178 -0.5795
+   24SER      C  380   3.012   4.633   3.654  0.3667 -0.1475 -0.3611
+   24SER      O  381   3.132   4.649   3.675  0.2855  0.1404 -0.1162
+   25LEU      N  382   2.965   4.534   3.578 -0.3074  0.0327 -0.1835
+   25LEU      H  383   2.866   4.522   3.564 -0.2379 -1.3960  0.3822
+   25LEU     CA  384   3.046   4.446   3.496 -0.1894 -0.0412  0.0112
+   25LEU     HA  385   3.098   4.378   3.564 -1.8918 -0.0553  1.3333
+   25LEU     CB  386   2.944   4.364   3.417 -0.1443  0.0032 -0.0935
+   25LEU    HB1  387   2.920   4.420   3.327 -0.4373  1.1777  0.6985
+   25LEU    HB2  388   2.846   4.369   3.464 -0.3935  1.8469 -0.7650
+   25LEU     CG  389   2.978   4.227   3.359 -0.7661 -0.0847 -0.2457
+   25LEU     HG  390   3.067   4.243   3.299 -0.3053 -0.9780  0.1848
+   25LEU    CD1  391   3.014   4.131   3.472 -0.4571  0.1345 -0.1580
+   25LEU   HD11  392   3.031   4.031   3.431  0.5341 -0.3237  1.3335
+   25LEU   HD12  393   3.101   4.165   3.529  0.0793 -0.0195 -0.8685
+   25LEU   HD13  394   2.932   4.116   3.542 -2.0005  1.6615 -1.5715
+   25LEU    CD2  395   2.860   4.170   3.282 -1.0018  0.2164 -0.1120
+   25LEU   HD21  396   2.891   4.082   3.225  0.4982  0.4105  0.3906
+   25LEU   HD22  397   2.770   4.151   3.341 -1.1890 -0.0462 -0.4718
+   25LEU   HD23  398   2.834   4.243   3.205 -0.4028 -0.5055 -1.0118
+   25LEU      C  399   3.154   4.505   3.406 -0.0207 -0.2825  0.0557
+   25LEU      O  400   3.260   4.442   3.404 -0.4496 -0.9973 -0.1594
+   26GLY      N  401   3.144   4.632   3.367  0.4332 -0.2311  0.0958
+   26GLY      H  402   3.051   4.673   3.371  0.2495 -0.6326 -0.0625
+   26GLY     CA  403   3.255   4.697   3.302  0.0821  0.7223  0.4393
+   26GLY    HA1  404   3.216   4.792   3.264  0.3993 -0.0673 -1.9703
+   26GLY    HA2  405   3.291   4.634   3.220 -1.3092  1.3589 -0.6895
+   26GLY      C  406   3.376   4.721   3.391  0.1727  0.8449  0.2857
+   26GLY      O  407   3.492   4.723   3.351  0.1970 -0.9359  0.2140
+   27ASN      N  408   3.351   4.739   3.521 -0.0098  0.2846  0.3290
+   27ASN      H  409   3.257   4.715   3.551 -1.7856  3.5607 -2.2538
+   27ASN     CA  410   3.454   4.763   3.619 -0.0593 -0.2262  0.5078
+   27ASN     HA  411   3.523   4.834   3.573 -2.2425  2.3417  1.0664
+   27ASN     CB  412   3.408   4.806   3.758  0.0574 -0.1858  0.5348
+   27ASN    HB1  413   3.482   4.818   3.837 -2.5457  0.0117  3.0415
+   27ASN    HB2  414   3.334   4.735   3.794 -1.6368  1.4436  0.3527
+   27ASN     CG  415   3.341   4.943   3.757  0.4702  0.0157 -0.5205
+   27ASN    OD1  416   3.408   5.046   3.767  0.4252 -0.0174  0.1437
+   27ASN    ND2  417   3.208   4.948   3.753  0.4619  0.3963  0.0479
+   27ASN   HD21  418   3.151   4.867   3.731  1.6797 -0.6588  0.7311
+   27ASN   HD22  419   3.168   5.040   3.743 -0.8766 -0.0968  0.6428
+   27ASN      C  420   3.535   4.635   3.637  0.3321 -0.0162  0.2558
+   27ASN      O  421   3.658   4.638   3.644  0.3008  0.1434  0.7465
+   28TRP      N  422   3.466   4.521   3.652  0.1212  0.1422  0.4988
+   28TRP      H  423   3.367   4.521   3.633  0.0179  1.2137  0.9892
+   28TRP     CA  424   3.531   4.393   3.667 -0.2788 -0.1389 -0.1638
+   28TRP     HA  425   3.609   4.407   3.742  0.1060 -0.8063 -0.4358
+   28TRP     CB  426   3.438   4.284   3.720  0.0020 -0.3375 -0.0724
+   28TRP    HB1  427   3.494   4.191   3.724 -1.7089 -1.3610  0.8732
+   28TRP    HB2  428   3.362   4.257   3.647  0.2429 -1.0779 -0.0478
+   28TRP     CG  429   3.363   4.307   3.848 -0.0197 -0.6917 -0.0203
+   28TRP    CD1  430   3.253   4.385   3.854  0.5606  0.1262  0.1495
+   28TRP    HD1  431   3.191   4.408   3.769  0.8052  1.5592  0.3453
+   28TRP    NE1  432   3.209   4.383   3.985 -0.5446  0.0443 -0.2160
+   28TRP    HE1  433   3.116   4.401   4.021 -0.0978  0.3689  0.7775
+   28TRP    CE2  434   3.312   4.349   4.071 -0.7607  0.2485  0.1257
+   28TRP    CZ2  435   3.332   4.355   4.209 -0.1928 -0.5959  0.0822
+   28TRP    HZ2  436   3.260   4.400   4.275 -1.4304  1.0271 -2.2851
+   28TRP    CH2  437   3.457   4.323   4.263  0.1309  0.6355  0.0786
+   28TRP    HH2  438   3.471   4.332   4.369 -0.8730 -0.2936  0.2886
+   28TRP    CZ3  439   3.551   4.258   4.181 -0.4111  0.1859 -0.1947
+   28TRP    HZ3  440   3.651   4.239   4.219 -0.3216  1.7682  0.4392
+   28TRP    CE3  441   3.528   4.244   4.044 -0.5152  0.0634 -0.1643
+   28TRP    HE3  442   3.612   4.204   3.990  0.8068 -0.0149  1.8711
+   28TRP    CD2  443   3.410   4.293   3.985 -1.2106 -0.9411  0.3692
+   28TRP      C  444   3.600   4.345   3.540  0.0134 -0.1381 -0.0080
+   28TRP      O  445   3.713   4.297   3.541  0.4302  0.8518  0.2855
+   29VAL      N  446   3.548   4.374   3.420 -0.1275 -0.0169  0.0812
+   29VAL      H  447   3.455   4.412   3.412  0.2420  1.3441  1.8843
+   29VAL     CA  448   3.618   4.339   3.298  0.1009  0.4435  0.0779
+   29VAL     HA  449   3.652   4.235   3.297 -1.5515 -0.1151 -0.3630
+   29VAL     CB  450   3.527   4.338   3.175  0.2763 -0.7590 -0.0448
+   29VAL     HB  451   3.477   4.435   3.176  1.2532 -0.2526  0.0083
+   29VAL    CG1  452   3.612   4.315   3.050 -0.0552  0.1892 -0.4459
+   29VAL   HG11  453   3.543   4.295   2.967  0.2686  0.4135 -0.7679
+   29VAL   HG12  454   3.674   4.399   3.019 -0.3578  1.0324  1.1799
+   29VAL   HG13  455   3.670   4.225   3.066  1.8988  1.4776 -0.2064
+   29VAL    CG2  456   3.414   4.235   3.186 -0.4612  0.1572  1.0187
+   29VAL   HG21  457   3.354   4.251   3.097  1.1109 -0.7196 -0.2268
+   29VAL   HG22  458   3.453   4.134   3.190  0.3584  0.4701  1.1456
+   29VAL   HG23  459   3.351   4.254   3.272 -1.8883 -0.0794  0.0364
+   29VAL      C  460   3.742   4.427   3.292  0.4169  0.0154  0.3251
+   29VAL      O  461   3.854   4.382   3.268  0.3553  0.1115 -0.1565
+   30CYS      N  462   3.722   4.558   3.306  0.3649  0.0767 -0.3095
+   30CYS      H  463   3.626   4.588   3.313 -0.2132 -1.5736 -0.8114
+   30CYS     CA  464   3.832   4.652   3.300  0.1795  0.3217  0.1222
+   30CYS     HA  465   3.873   4.638   3.200  1.0267  0.9297  0.3789
+   30CYS     CB  466   3.784   4.795   3.323  0.1096  0.1305  1.1969
+   30CYS    HB1  467   3.726   4.806   3.414 -2.1264  0.9295 -0.2876
+   30CYS    HB2  468   3.721   4.819   3.238  0.8348  1.5895  1.0426
+   30CYS     SG  469   3.923   4.911   3.326  0.2471  0.0019  0.1522
+   30CYS      C  470   3.941   4.616   3.400  0.1390  0.3234  0.1669
+   30CYS      O  471   4.060   4.615   3.370  0.1445  0.1230  0.1931
+   31ALA      N  472   3.906   4.586   3.525 -0.2064 -0.7306 -0.1772
+   31ALA      H  473   3.808   4.586   3.549  0.2924  1.5570  2.0441
+   31ALA     CA  474   3.990   4.533   3.631  0.0516 -0.1230 -0.0798
+   31ALA     HA  475   4.066   4.604   3.664  0.2131 -1.0941  1.6923
+   31ALA     CB  476   3.904   4.503   3.754 -0.3842  0.1508 -0.3158
+   31ALA    HB1  477   3.809   4.453   3.734 -1.8019  1.8863  1.8781
+   31ALA    HB2  478   3.962   4.448   3.828 -0.8793 -1.5513 -1.1509
+   31ALA    HB3  479   3.878   4.599   3.796  0.3176  0.3443 -0.3249
+   31ALA      C  480   4.075   4.414   3.590 -0.0831 -0.3240  0.2195
+   31ALA      O  481   4.198   4.415   3.593 -0.0767 -0.1410 -0.1174
+   32ALA      N  482   4.007   4.307   3.548  0.3147 -0.3966 -0.2460
+   32ALA      H  483   3.908   4.312   3.564  0.5612 -1.1520  1.7218
+   32ALA     CA  484   4.069   4.190   3.488  0.2701 -0.6823  0.2582
+   32ALA     HA  485   4.128   4.135   3.561 -1.0507 -2.5398 -0.0363
+   32ALA     CB  486   3.951   4.103   3.447 -0.3160  0.1510  0.1560
+   32ALA    HB1  487   3.893   4.154   3.370 -0.8582 -1.7898 -0.7720
+   32ALA    HB2  488   3.983   4.005   3.410 -0.3273  0.0478  0.4185
+   32ALA    HB3  489   3.893   4.095   3.538 -1.1641  2.7619 -0.1110
+   32ALA      C  490   4.158   4.214   3.367 -0.7743 -0.4926 -0.4871
+   32ALA      O  491   4.259   4.145   3.352 -0.2057  0.2237  0.0070
+   33LYS      N  492   4.134   4.317   3.286 -0.4409 -0.1956 -0.2123
+   33LYS      H  493   4.051   4.375   3.296 -0.8920 -0.8814  0.0325
+   33LYS     CA  494   4.225   4.343   3.176 -0.1309 -0.5285 -0.0355
+   33LYS     HA  495   4.258   4.253   3.124 -0.0447 -0.2746 -0.4209
+   33LYS     CB  496   4.163   4.433   3.070  0.2171 -0.4437 -0.1657
+   33LYS    HB1  497   4.138   4.529   3.115 -1.2253 -1.1229  0.4924
+   33LYS    HB2  498   4.066   4.396   3.036 -0.3771  1.5564 -0.7460
+   33LYS     CG  499   4.256   4.477   2.957  0.2303  0.3099  0.1344
+   33LYS    HG1  500   4.342   4.529   3.000  0.8771  0.6350 -1.5166
+   33LYS    HG2  501   4.203   4.550   2.895 -1.2010 -0.8564 -0.0279
+   33LYS     CD  502   4.298   4.373   2.854 -0.0959  0.1294  0.1824
+   33LYS    HD1  503   4.210   4.344   2.796  0.2106 -1.1282  0.3381
+   33LYS    HD2  504   4.342   4.288   2.905 -0.1927 -0.1628 -0.2101
+   33LYS     CE  505   4.400   4.424   2.752  0.2432 -0.0227  0.4468
+   33LYS    HE1  506   4.485   4.467   2.805  1.2119 -1.1205 -0.2031
+   33LYS    HE2  507   4.360   4.513   2.704  0.8690  0.1870  0.3063
+   33LYS     NZ  508   4.451   4.319   2.662 -0.1243 -0.3250  0.5909
+   33LYS    HZ1  509   4.527   4.271   2.707 -1.3944 -2.1389  0.8656
+   33LYS    HZ2  510   4.378   4.254   2.637 -1.3309  0.4610  1.9947
+   33LYS    HZ3  511   4.493   4.357   2.578 -0.6073  0.9211  0.8982
+   33LYS      C  512   4.360   4.386   3.230 -0.2183  0.3216 -0.4885
+   33LYS      O  513   4.464   4.339   3.184 -0.1536 -0.0477  0.0322
+   34PHE      N  514   4.362   4.481   3.325  0.1883 -0.2436  0.0712
+   34PHE      H  515   4.272   4.520   3.346 -0.2286  0.1068 -2.1959
+   34PHE     CA  516   4.490   4.535   3.367  0.2086  0.0407 -0.3533
+   34PHE     HA  517   4.558   4.518   3.283 -0.4534 -3.4425 -0.2738
+   34PHE     CB  518   4.472   4.686   3.378  0.0107  0.0206 -0.3781
+   34PHE    HB1  519   4.568   4.730   3.405  0.7626 -1.6619 -0.2347
+   34PHE    HB2  520   4.393   4.706   3.450 -0.2184 -0.9701 -0.3560
+   34PHE     CG  521   4.425   4.751   3.250 -0.4167  0.0194 -0.2209
+   34PHE    CD1  522   4.507   4.737   3.138 -0.4069 -0.9211 -0.1000
+   34PHE    HD1  523   4.600   4.681   3.137  0.1882  0.0571 -1.1010
+   34PHE    CE1  524   4.462   4.778   3.012  0.3117  0.5153  0.0989
+   34PHE    HE1  525   4.520   4.778   2.921 -1.3604 -2.0344 -1.0140
+   34PHE     CZ  526   4.345   4.855   3.012 -0.4273 -0.5902  0.6913
+   34PHE     HZ  527   4.312   4.907   2.923  1.4290 -1.2380 -0.4133
+   34PHE    CE2  528   4.266   4.873   3.126 -0.9023  0.1337  0.2548
+   34PHE    HE2  529   4.194   4.953   3.122 -2.6070 -1.3689  0.3818
+   34PHE    CD2  530   4.301   4.816   3.249 -0.1958  0.4584  0.2056
+   34PHE    HD2  531   4.245   4.829   3.340  2.2262  0.4521  1.7310
+   34PHE      C  532   4.564   4.456   3.474  0.2360  0.0522 -0.3641
+   34PHE      O  533   4.686   4.466   3.481  0.1730  0.1390  0.5690
+   35GLU      N  534   4.501   4.362   3.545  0.3365  0.2857  0.0319
+   35GLU      H  535   4.400   4.354   3.546  0.2453  0.6433 -3.0556
+   35GLU     CA  536   4.570   4.274   3.637  0.0342  0.0294  0.0170
+   35GLU     HA  537   4.637   4.337   3.697  0.9412 -0.1284 -0.8177
+   35GLU     CB  538   4.468   4.215   3.733 -0.0489 -0.2635 -0.2525
+   35GLU    HB1  539   4.510   4.125   3.779 -1.4151 -1.3809 -1.1408
+   35GLU    HB2  540   4.379   4.172   3.687 -0.0765 -0.3184 -0.1491
+   35GLU     CG  541   4.422   4.315   3.839  0.3718 -0.4897  0.1488
+   35GLU    HG1  542   4.357   4.266   3.912  0.1498  1.1711  1.0752
+   35GLU    HG2  543   4.358   4.381   3.781  1.2713 -0.2664 -0.5958
+   35GLU     CD  544   4.520   4.397   3.920  0.4055  0.1646 -0.5496
+   35GLU    OE1  545   4.636   4.359   3.948  0.3813  0.3137 -0.2453
+   35GLU    OE2  546   4.483   4.507   3.967  0.2152 -0.1606  0.0681
+   35GLU      C  547   4.652   4.160   3.578  0.5623  0.5866 -0.3416
+   35GLU      O  548   4.766   4.134   3.615 -0.0260 -0.5617  0.7302
+   36SER      N  549   4.593   4.090   3.481  0.2529 -0.1784  0.3876
+   36SER      H  550   4.504   4.115   3.441  0.2180 -0.2200  0.4384
+   36SER     CA  551   4.639   3.963   3.430  0.4313  0.0704 -0.0799
+   36SER     HA  552   4.741   3.940   3.463  0.0251  0.2028  1.3037
+   36SER     CB  553   4.540   3.868   3.497  0.0076  0.3342 -0.3393
+   36SER    HB1  554   4.528   3.886   3.604 -1.1896 -2.5795  0.0375
+   36SER    HB2  555   4.565   3.764   3.479  3.1416  1.2570 -1.6603
+   36SER     OG  556   4.420   3.897   3.428 -0.3669 -0.0217  0.1566
+   36SER     HG  557   4.355   3.924   3.493 -2.2368  0.4696 -1.8514
+   36SER      C  558   4.644   3.952   3.279  0.2720 -0.0228 -0.0775
+   36SER      O  559   4.680   3.848   3.224  0.2278  0.0515 -0.2495
+   37ASN      N  560   4.595   4.051   3.204  0.2911  0.0628  0.0235
+   37ASN      H  561   4.584   4.140   3.250  0.8341 -0.0731  0.4098
+   37ASN     CA  562   4.566   4.044   3.062  0.1741  0.0203  0.0486
+   37ASN     HA  563   4.516   4.136   3.034  1.0954  0.4824 -0.0996
+   37ASN     CB  564   4.699   4.036   2.987  0.2512 -0.3152  0.2206
+   37ASN    HB1  565   4.754   3.944   3.009  1.4422  0.2725 -0.2635
+   37ASN    HB2  566   4.767   4.110   3.030  0.3432 -1.8926  2.9257
+   37ASN     CG  567   4.690   4.052   2.836 -0.4730 -0.7931  0.2128
+   37ASN    OD1  568   4.603   4.123   2.785  0.3238 -0.1862 -0.3042
+   37ASN    ND2  569   4.784   3.991   2.765 -0.6743 -0.4948 -0.3132
+   37ASN   HD21  570   4.857   3.941   2.813  0.6711 -0.8163 -2.6266
+   37ASN   HD22  571   4.786   4.009   2.665  0.0355 -0.6135 -0.3249
+   37ASN      C  572   4.468   3.934   3.024 -0.2077  0.4614 -0.2473
+   37ASN      O  573   4.478   3.870   2.920  0.1982 -0.1213  0.1469
+   38PHE      N  574   4.359   3.923   3.100 -0.1290  0.1125 -0.1826
+   38PHE      H  575   4.353   3.975   3.187  1.2343 -1.3530  0.8118
+   38PHE     CA  576   4.257   3.820   3.093  0.2926 -0.3079 -0.1808
+   38PHE     HA  577   4.196   3.830   3.182  0.2899 -1.8048 -0.0017
+   38PHE     CB  578   4.169   3.838   2.969  0.5571  0.2803 -0.2887
+   38PHE    HB1  579   4.096   3.757   2.971 -0.8994  1.5515 -1.4398
+   38PHE    HB2  580   4.219   3.830   2.873 -1.8713 -0.0913 -1.5537
+   38PHE     CG  581   4.080   3.960   2.958 -0.2670 -0.3064 -0.2105
+   38PHE    CD1  582   4.035   4.034   3.068  0.6316  0.4489 -0.3442
+   38PHE    HD1  583   4.061   3.996   3.166 -0.7446  1.1586  0.3120
+   38PHE    CE1  584   3.954   4.146   3.048  0.0699  0.0490 -0.3241
+   38PHE    HE1  585   3.916   4.206   3.130 -1.3587 -0.6899 -0.4215
+   38PHE     CZ  586   3.933   4.192   2.917 -0.0855  0.8124 -0.0336
+   38PHE     HZ  587   3.894   4.292   2.902  0.5679  1.0287 -0.3043
+   38PHE    CE2  588   3.977   4.113   2.811 -0.2657  0.2929  0.2783
+   38PHE    HE2  589   3.957   4.141   2.708  0.5804 -1.2016 -0.3180
+   38PHE    CD2  590   4.053   3.997   2.826  0.4130  0.6903 -0.0750
+   38PHE    HD2  591   4.092   3.945   2.740 -0.3640  2.2493 -1.3815
+   38PHE      C  592   4.304   3.676   3.100  0.3902 -0.3130 -0.9118
+   38PHE      O  593   4.229   3.589   3.056 -0.8616  0.3351 -0.0681
+   39ASN      N  594   4.423   3.655   3.156  0.0652 -0.0835 -0.1357
+   39ASN      H  595   4.476   3.726   3.205  0.0684 -0.5872  0.6055
+   39ASN     CA  596   4.482   3.523   3.166  0.0266 -0.1318 -0.5293
+   39ASN     HA  597   4.419   3.453   3.110 -0.7477 -1.3674  1.7878
+   39ASN     CB  598   4.617   3.528   3.096  0.1010  0.0776 -0.3699
+   39ASN    HB1  599   4.664   3.618   3.136  1.1553 -0.5661 -0.1134
+   39ASN    HB2  600   4.609   3.553   2.990  1.0194 -1.0247 -0.7172
+   39ASN     CG  601   4.697   3.401   3.121  0.0296  0.0674 -0.1977
+   39ASN    OD1  602   4.654   3.291   3.155 -0.2629  0.3150  0.2345
+   39ASN    ND2  603   4.830   3.418   3.120  0.1525 -0.8465 -0.1038
+   39ASN   HD21  604   4.867   3.512   3.116  0.0097 -0.8350 -1.3673
+   39ASN   HD22  605   4.894   3.346   3.147  0.2134 -0.7032  0.1268
+   39ASN      C  606   4.484   3.474   3.310  0.3371 -0.1958 -0.5554
+   39ASN      O  607   4.530   3.542   3.402  0.2120 -0.7393 -0.0898
+   40THR      N  608   4.415   3.362   3.329 -0.1000  0.2108  0.3136
+   40THR      H  609   4.380   3.303   3.254  1.5366 -0.4199  0.0235
+   40THR     CA  610   4.404   3.295   3.457  0.0565 -0.2239  0.1007
+   40THR     HA  611   4.353   3.365   3.522  1.0984  1.0297 -0.4065
+   40THR     CB  612   4.317   3.170   3.452 -0.1068 -0.1022 -0.0934
+   40THR     HB  613   4.321   3.106   3.540  0.8163  0.1635  0.0645
+   40THR    CG2  614   4.173   3.204   3.412  0.0389  0.0691 -0.4697
+   40THR   HG21  615   4.160   3.240   3.310  2.2215 -1.1909 -1.2442
+   40THR   HG22  616   4.113   3.114   3.422 -1.1086  0.8168 -0.6088
+   40THR   HG23  617   4.140   3.278   3.485 -1.8722 -0.3083 -0.9384
+   40THR    OG1  618   4.356   3.075   3.356  0.1551  0.3622 -0.4447
+   40THR    HG1  619   4.404   3.008   3.405 -2.2555 -0.8093  0.3744
+   40THR      C  620   4.538   3.258   3.520  0.1801  0.0208 -0.0182
+   40THR      O  621   4.547   3.248   3.642 -0.1550  0.6488  0.0626
+   41GLN      N  622   4.642   3.237   3.438  0.1937  0.3669 -0.0920
+   41GLN      H  623   4.627   3.245   3.339  0.6099 -0.5739 -0.2400
+   41GLN     CA  624   4.766   3.186   3.492 -0.0219  0.1899  0.2452
+   41GLN     HA  625   4.748   3.139   3.588 -0.0158  1.8748  1.0789
+   41GLN     CB  626   4.822   3.084   3.392 -0.2347 -0.0133  0.3340
+   41GLN    HB1  627   4.909   3.037   3.437  2.5328  1.2639 -3.4210
+   41GLN    HB2  628   4.838   3.142   3.301  1.1032  0.5248  0.9037
+   41GLN     CG  629   4.722   2.972   3.368 -0.5310  0.2347  0.3993
+   41GLN    HG1  630   4.632   2.996   3.311 -2.9865 -2.6964  2.8463
+   41GLN    HG2  631   4.681   2.937   3.463 -0.4444 -1.6790 -0.2420
+   41GLN     CD  632   4.795   2.857   3.300 -0.4192  0.5274  0.0240
+   41GLN    OE1  633   4.854   2.776   3.372 -0.1512  0.3745 -0.3655
+   41GLN    NE2  634   4.811   2.856   3.168  0.3197 -0.4256  0.1109
+   41GLN   HE21  635   4.767   2.930   3.115 -2.2078  1.0442  4.0410
+   41GLN   HE22  636   4.860   2.780   3.123 -1.1132 -1.3847  0.1446
+   41GLN      C  637   4.873   3.291   3.518  0.2752 -0.1700  0.4812
+   41GLN      O  638   4.991   3.262   3.537  0.1628 -0.8086  0.2168
+   42ALA      N  639   4.831   3.417   3.530 -0.3877 -0.3423 -0.0119
+   42ALA      H  640   4.737   3.445   3.506  0.2718  3.3486  1.3665
+   42ALA     CA  641   4.916   3.524   3.580 -0.5397 -0.2663  0.0812
+   42ALA     HA  642   5.005   3.502   3.522 -0.4987  1.3791 -0.4975
+   42ALA     CB  643   4.869   3.664   3.543 -0.1893 -0.1216  0.1880
+   42ALA    HB1  644   4.949   3.735   3.566 -0.2817 -0.1739  0.6830
+   42ALA    HB2  645   4.840   3.666   3.438  0.3424 -0.0635  0.0405
+   42ALA    HB3  646   4.778   3.696   3.593 -0.9675 -0.4583 -1.0053
+   42ALA      C  647   4.962   3.507   3.724  0.1631 -0.4320 -0.1590
+   42ALA      O  648   4.881   3.486   3.815  0.1221  0.0170 -0.0908
+   43THR      N  649   5.088   3.545   3.747 -0.0473  0.2078 -0.0415
+   43THR      H  650   5.151   3.547   3.669  1.2260  0.6558  0.9708
+   43THR     CA  651   5.146   3.566   3.879  0.6356 -0.2867 -0.2635
+   43THR     HA  652   5.063   3.601   3.941  0.2392  2.2116 -2.1439
+   43THR     CB  653   5.202   3.437   3.938 -0.2212 -0.4141  0.2842
+   43THR     HB  654   5.251   3.472   4.029  0.7818 -0.2089 -0.3269
+   43THR    CG2  655   5.097   3.333   3.978 -0.1713 -0.8760 -0.7718
+   43THR   HG21  656   5.149   3.247   4.020  0.0149  0.3226  1.5256
+   43THR   HG22  657   5.035   3.380   4.054  0.0795  0.7492 -1.5324
+   43THR   HG23  658   5.032   3.299   3.898 -0.6686 -0.4852 -0.5333
+   43THR    OG1  659   5.302   3.373   3.861  0.1635  0.3340  0.1548
+   43THR    HG1  660   5.255   3.320   3.796  1.7998 -0.2826 -0.5559
+   43THR      C  661   5.262   3.664   3.876  0.4649 -0.0750  0.1641
+   43THR      O  662   5.349   3.659   3.790  0.0989  0.6976 -0.2531
+   44ASN      N  663   5.257   3.750   3.978 -0.1507 -0.3527  0.3730
+   44ASN      H  664   5.174   3.751   4.035  0.4669  3.0849  1.3167
+   44ASN     CA  665   5.359   3.851   3.997 -0.2776 -0.1302 -0.1290
+   44ASN     HA  666   5.449   3.811   3.950 -0.1707  0.0195 -0.0506
+   44ASN     CB  667   5.308   3.981   3.936  0.3021  0.1849  0.0536
+   44ASN    HB1  668   5.385   4.058   3.947 -0.3752  0.6638  1.6092
+   44ASN    HB2  669   5.222   4.028   3.985  0.0139 -0.5684  0.2740
+   44ASN     CG  670   5.277   3.980   3.787 -0.0420  0.1406  0.1251
+   44ASN    OD1  671   5.359   3.997   3.697 -0.4094  0.1163 -0.2171
+   44ASN    ND2  672   5.153   3.941   3.759  0.1479  0.0529 -0.6128
+   44ASN   HD21  673   5.089   3.910   3.831  0.1008  0.9264 -0.2818
+   44ASN   HD22  674   5.126   3.922   3.664  3.1499  0.4799 -1.5999
+   44ASN      C  675   5.388   3.866   4.146 -0.1038 -0.0218 -0.1726
+   44ASN      O  676   5.297   3.864   4.229  0.3858  0.4777  0.3783
+   45ARG      N  677   5.515   3.883   4.181 -0.1411  0.0297 -0.0614
+   45ARG      H  678   5.587   3.887   4.110 -0.1918  0.4265 -0.0894
+   45ARG     CA  679   5.567   3.880   4.316 -0.0832  0.0437 -0.0830
+   45ARG     HA  680   5.494   3.832   4.381 -2.1109  1.1265 -1.5319
+   45ARG     CB  681   5.704   3.813   4.308 -0.0764  0.0568 -0.0704
+   45ARG    HB1  682   5.767   3.874   4.243 -0.8269  1.7984  0.8154
+   45ARG    HB2  683   5.690   3.718   4.255  1.0508  0.2789 -0.7967
+   45ARG     CG  684   5.786   3.794   4.435  0.0146 -0.1092 -0.1533
+   45ARG    HG1  685   5.767   3.885   4.493 -0.4365 -0.0249 -0.4295
+   45ARG    HG2  686   5.893   3.788   4.412  0.0193  1.0921 -0.4719
+   45ARG     CD  687   5.763   3.671   4.523  0.8671 -0.1712 -0.0132
+   45ARG    HD1  688   5.661   3.651   4.556 -0.1133  3.4654 -0.6202
+   45ARG    HD2  689   5.828   3.678   4.610  1.8986 -4.2959 -0.3438
+   45ARG     NE  690   5.811   3.557   4.445  0.2351 -0.2635 -0.2640
+   45ARG     HE  691   5.746   3.533   4.371 -2.8573  0.7171  2.0330
+   45ARG     CZ  692   5.913   3.472   4.460  0.2066 -0.1339  0.6520
+   45ARG    NH1  693   6.008   3.487   4.553  0.3889 -0.5879  0.5390
+   45ARG   HH11  694   6.003   3.548   4.633 -0.2882 -1.1412  0.9275
+   45ARG   HH12  695   6.094   3.434   4.544  0.5966 -0.2171  0.3571
+   45ARG    NH2  696   5.929   3.373   4.372  0.3742  0.2328  0.2716
+   45ARG   HH21  697   5.874   3.366   4.288  0.1230 -1.0257  0.5246
+   45ARG   HH22  698   5.990   3.293   4.381 -1.5419 -1.2688  0.2844
+   45ARG      C  699   5.586   4.024   4.360  0.5956 -0.0598 -0.0235
+   45ARG      O  700   5.586   4.116   4.278  0.2946 -0.2295 -0.2189
+   46ASN      N  701   5.570   4.055   4.489  0.3589  0.1993 -0.1139
+   46ASN      H  702   5.566   3.978   4.554 -1.4361  1.0099  0.7604
+   46ASN     CA  703   5.592   4.186   4.547  0.0822  0.1101  0.1995
+   46ASN     HA  704   5.595   4.261   4.467  1.6908 -0.6261 -0.4628
+   46ASN     CB  705   5.479   4.228   4.640 -0.0194 -0.2178  0.2248
+   46ASN    HB1  706   5.497   4.331   4.672 -1.3432  0.0738  0.0516
+   46ASN    HB2  707   5.475   4.162   4.727  1.4197  1.2749  1.4629
+   46ASN     CG  708   5.343   4.233   4.573  0.2947 -0.1604 -0.4028
+   46ASN    OD1  709   5.245   4.220   4.646 -0.0938  0.1337 -0.8654
+   46ASN    ND2  710   5.325   4.254   4.442 -0.3992 -0.6805 -0.3944
+   46ASN   HD21  711   5.397   4.255   4.370 -0.7609 -1.4646 -0.7721
+   46ASN   HD22  712   5.228   4.267   4.418 -0.3665 -1.4207 -0.9397
+   46ASN      C  713   5.727   4.188   4.618  0.1898 -0.3766  0.0115
+   46ASN      O  714   5.782   4.085   4.656  0.6900  0.0790  0.5267
+   47THR      N  715   5.776   4.309   4.644 -0.2118 -0.1630 -0.2197
+   47THR      H  716   5.728   4.387   4.602  1.5176  0.5518 -0.9126
+   47THR     CA  717   5.899   4.332   4.718 -0.3534  0.1010 -0.0654
+   47THR     HA  718   5.982   4.295   4.658 -1.6852  1.4186 -2.8516
+   47THR     CB  719   5.929   4.481   4.727  0.1583  0.0102 -0.2678
+   47THR     HB  720   6.020   4.496   4.786 -0.3044  0.2540  0.3840
+   47THR    CG2  721   5.961   4.544   4.591  0.3011 -0.1041 -0.2869
+   47THR   HG21  722   5.885   4.529   4.515 -0.7044 -1.5508  0.9526
+   47THR   HG22  723   5.964   4.652   4.602 -0.0539  0.1500 -2.5012
+   47THR   HG23  724   6.053   4.496   4.557 -0.6416 -1.8897 -0.3578
+   47THR    OG1  725   5.819   4.551   4.781  0.0076 -0.3536 -0.0989
+   47THR    HG1  726   5.844   4.638   4.816 -1.8513  0.4209 -0.6518
+   47THR      C  727   5.903   4.277   4.860 -0.0105 -0.1388 -0.1654
+   47THR      O  728   6.003   4.221   4.902  0.2666  0.6244  0.2049
+   48ASP      N  729   5.784   4.282   4.921  0.2710 -0.2080  0.3931
+   48ASP      H  730   5.710   4.319   4.862 -1.6655 -0.4208  2.6193
+   48ASP     CA  731   5.755   4.221   5.049 -0.6066  0.2199  0.3991
+   48ASP     HA  732   5.837   4.243   5.116 -0.9561  0.0842  0.8752
+   48ASP     CB  733   5.626   4.281   5.104 -0.3915  0.5915  0.4984
+   48ASP    HB1  734   5.653   4.383   5.132  1.4385  0.1637  0.3041
+   48ASP    HB2  735   5.611   4.226   5.197  0.0264  1.8118  1.3001
+   48ASP     CG  736   5.499   4.264   5.021  0.2566  0.2625 -0.4329
+   48ASP    OD1  737   5.444   4.153   5.006  0.3342  0.0685  0.6236
+   48ASP    OD2  738   5.442   4.368   4.981 -0.2070 -0.1020 -0.7162
+   48ASP      C  739   5.758   4.069   5.047  0.1938  0.2431 -0.3091
+   48ASP      O  740   5.746   4.004   5.151  0.5638  0.5034 -0.0993
+   49GLY      N  741   5.779   4.003   4.933 -0.1074  0.0231 -0.2383
+   49GLY      H  742   5.788   4.058   4.849  1.8590  0.4459  0.2176
+   49GLY     CA  743   5.774   3.860   4.910 -0.3670  0.0858 -0.5671
+   49GLY    HA1  744   5.828   3.810   4.990  0.0764 -0.1663 -1.0198
+   49GLY    HA2  745   5.835   3.839   4.822 -0.2434  0.1227 -0.4899
+   49GLY      C  746   5.640   3.787   4.910 -0.2374 -0.1644  0.4204
+   49GLY      O  747   5.632   3.664   4.905 -0.1253 -0.1532 -0.1057
+   50SER      N  748   5.530   3.862   4.903 -0.1260 -0.0082  0.3397
+   50SER      H  749   5.532   3.962   4.912 -0.8115 -0.1129  1.8286
+   50SER     CA  750   5.401   3.808   4.865 -0.3047  0.9475 -0.4127
+   50SER     HA  751   5.404   3.710   4.912  0.7574  1.0097 -0.3525
+   50SER     CB  752   5.282   3.876   4.932 -0.0819 -0.0257  0.9781
+   50SER    HB1  753   5.295   3.877   5.040 -0.6437  0.3204  1.0462
+   50SER    HB2  754   5.191   3.821   4.911 -0.9483  1.6313  0.2381
+   50SER     OG  755   5.260   4.008   4.886 -0.3383 -0.5624 -0.4480
+   50SER     HG  756   5.337   4.052   4.921 -0.2801 -1.0624  0.0525
+   50SER      C  757   5.386   3.796   4.714 -0.1650 -0.3230 -0.3274
+   50SER      O  758   5.472   3.840   4.638 -0.3476  0.2780 -0.1864
+   51THR      N  759   5.278   3.729   4.671 -0.2449 -0.2966 -0.1689
+   51THR      H  760   5.210   3.693   4.736 -2.0434  1.6232 -0.9479
+   51THR     CA  761   5.251   3.701   4.531 -0.2039  0.2231 -0.2829
+   51THR     HA  762   5.309   3.775   4.477  1.5286  0.6881  2.1109
+   51THR     CB  763   5.300   3.564   4.484 -0.0486  0.2593 -0.2263
+   51THR     HB  764   5.242   3.489   4.537  0.7758  1.4978  2.4886
+   51THR    CG2  765   5.291   3.535   4.334 -0.3305 -0.2684 -0.1104
+   51THR   HG21  766   5.353   3.450   4.308  1.0470  0.2402  1.4340
+   51THR   HG22  767   5.185   3.526   4.311 -0.1225 -0.9164 -0.8479
+   51THR   HG23  768   5.338   3.616   4.279  0.6125 -0.6893  0.0596
+   51THR    OG1  769   5.434   3.536   4.516 -0.1145 -0.2236 -0.3685
+   51THR    HG1  770   5.453   3.602   4.583 -0.2548 -0.9362  0.3813
+   51THR      C  771   5.103   3.721   4.501 -0.3114 -0.0698  0.0367
+   51THR      O  772   5.019   3.671   4.576 -0.1711  0.0559  0.2799
+   52ASP      N  773   5.069   3.797   4.396 -0.1163 -0.3023 -0.1933
+   52ASP      H  774   5.144   3.851   4.355  0.2414 -1.4482 -1.0767
+   52ASP     CA  775   4.941   3.810   4.330 -0.0634  0.4059 -0.1522
+   52ASP     HA  776   4.862   3.806   4.405 -0.2915 -1.2230 -0.4752
+   52ASP     CB  777   4.946   3.949   4.265  0.5510  0.3130 -0.3087
+   52ASP    HB1  778   4.859   3.953   4.199 -1.2117  1.0909  1.9777
+   52ASP    HB2  779   5.035   3.952   4.203  0.4445 -2.0851 -0.6577
+   52ASP     CG  780   4.957   4.066   4.361 -0.1772  0.3501 -0.2692
+   52ASP    OD1  781   4.929   4.046   4.481 -0.4686 -0.5158 -0.4789
+   52ASP    OD2  782   4.991   4.183   4.331 -0.6142  0.4683 -0.3230
+   52ASP      C  783   4.922   3.698   4.229  0.3981  0.4158 -0.2494
+   52ASP      O  784   5.004   3.661   4.145  0.1584 -0.1046 -0.2582
+   53TYR      N  785   4.804   3.636   4.237  0.2059  0.6633 -1.1646
+   53TYR      H  786   4.745   3.660   4.316  0.4249 -0.6964 -0.5824
+   53TYR     CA  787   4.762   3.519   4.164  0.2651 -0.0758 -0.0235
+   53TYR     HA  788   4.842   3.503   4.091 -0.5476  1.5569 -1.3090
+   53TYR     CB  789   4.748   3.398   4.256 -0.1383  0.4520  0.6056
+   53TYR    HB1  790   4.707   3.318   4.194  3.7575 -0.7588 -0.4924
+   53TYR    HB2  791   4.672   3.420   4.332 -0.1034  0.2567  0.6969
+   53TYR     CG  792   4.870   3.345   4.326  0.3139  0.3818 -0.2323
+   53TYR    CD1  793   4.918   3.413   4.439  0.3552 -0.1586  0.0770
+   53TYR    HD1  794   4.856   3.484   4.492  0.5236 -0.7102  1.0391
+   53TYR    CE1  795   5.028   3.364   4.509  0.1845 -0.3188  0.2320
+   53TYR    HE1  796   5.053   3.410   4.604 -1.3657 -1.7375  1.3639
+   53TYR     CZ  797   5.102   3.256   4.456 -0.1630 -0.2713 -0.3504
+   53TYR     OH  798   5.215   3.210   4.517 -0.1958  0.1707  0.0484
+   53TYR     HH  799   5.252   3.134   4.472 -1.0451  1.3047 -2.6583
+   53TYR    CE2  800   5.064   3.198   4.333  0.9362  0.1311 -0.8876
+   53TYR    HE2  801   5.127   3.119   4.295  0.7884 -1.1673  1.4824
+   53TYR    CD2  802   4.945   3.239   4.273 -0.0525 -0.3561  0.7073
+   53TYR    HD2  803   4.915   3.206   4.175  1.7061  2.0355 -0.7074
+   53TYR      C  804   4.635   3.547   4.085 -0.0115 -0.6438  0.2170
+   53TYR      O  805   4.534   3.596   4.135  0.0397 -0.2392 -0.0770
+   54GLY      N  806   4.635   3.503   3.959  0.1582 -0.2660  0.0866
+   54GLY      H  807   4.722   3.474   3.916 -0.8100 -3.5125  0.2626
+   54GLY     CA  808   4.518   3.473   3.879  0.1442 -0.4825  0.1888
+   54GLY    HA1  809   4.439   3.448   3.949 -0.1860 -1.7382 -0.6156
+   54GLY    HA2  810   4.532   3.377   3.830  2.9627 -0.8104  1.5717
+   54GLY      C  811   4.473   3.582   3.782  0.1066 -0.4082  0.2892
+   54GLY      O  812   4.546   3.679   3.764  0.3592 -0.6070  0.2346
+   55ILE      N  813   4.351   3.570   3.730  0.0678  0.3122  0.2124
+   55ILE      H  814   4.317   3.475   3.737  3.3187 -0.9968 -1.0730
+   55ILE     CA  815   4.287   3.673   3.650 -0.0161 -0.2356 -0.4271
+   55ILE     HA  816   4.361   3.700   3.575 -0.0098  0.0364 -0.3209
+   55ILE     CB  817   4.164   3.610   3.586 -0.3083 -0.1394  0.0364
+   55ILE     HB  818   4.205   3.522   3.537 -0.4015  0.0461 -0.3807
+   55ILE    CG2  819   4.043   3.577   3.673 -0.5574 -0.0803 -0.2821
+   55ILE   HG21  820   3.969   3.529   3.609 -0.6641  0.1925 -0.3651
+   55ILE   HG22  821   4.070   3.500   3.745 -2.4196 -0.6382 -0.1617
+   55ILE   HG23  822   3.999   3.669   3.712 -2.3897 -1.0611  0.0445
+   55ILE    CG1  823   4.118   3.693   3.466 -0.0857  0.3285  0.2746
+   55ILE   HG11  824   4.213   3.724   3.421  0.1393 -1.2756 -0.4031
+   55ILE   HG12  825   4.049   3.772   3.493  0.7101  0.9428  0.5270
+   55ILE     CD  826   4.049   3.604   3.363  1.0271 -0.4519  0.1876
+   55ILE    HD1  827   3.951   3.575   3.400 -0.2038  1.5244 -1.4426
+   55ILE    HD2  828   4.033   3.670   3.277 -0.5338 -0.8341  0.1620
+   55ILE    HD3  829   4.108   3.516   3.339  0.3143 -0.4695 -1.6014
+   55ILE      C  830   4.261   3.804   3.722  1.0023 -0.2783  0.0301
+   55ILE      O  831   4.244   3.905   3.654 -0.1212 -0.6057 -0.1864
+   56LEU      N  832   4.264   3.811   3.855  0.1127  0.0786  0.0403
+   56LEU      H  833   4.268   3.722   3.903 -0.2838 -0.5328 -1.0549
+   56LEU     CA  834   4.238   3.926   3.940 -0.0905 -0.0829  0.1983
+   56LEU     HA  835   4.241   4.014   3.876 -1.4023  0.5377  0.9812
+   56LEU     CB  836   4.102   3.917   4.008 -0.0695  0.2328  0.2804
+   56LEU    HB1  837   4.105   3.989   4.090 -1.0877  0.3925  0.1846
+   56LEU    HB2  838   4.089   3.816   4.047 -0.7556  1.0477  2.2464
+   56LEU     CG  839   3.974   3.959   3.937  0.1004  0.4963  0.1281
+   56LEU     HG  840   3.949   3.889   3.857 -1.0209  3.0140 -1.8033
+   56LEU    CD1  841   3.851   3.961   4.028  0.1537  0.4922  0.1998
+   56LEU   HD11  842   3.766   4.010   3.981 -0.6842  0.2551  1.4512
+   56LEU   HD12  843   3.833   3.857   4.055  0.0742  0.3145 -0.5385
+   56LEU   HD13  844   3.874   4.023   4.115  0.7746  1.8935 -0.9420
+   56LEU    CD2  845   3.979   4.098   3.874 -0.6207  0.0098 -1.0157
+   56LEU   HD21  846   3.895   4.132   3.814  0.4562  0.3477 -2.3720
+   56LEU   HD22  847   3.993   4.171   3.954 -1.2242  0.7574 -1.5850
+   56LEU   HD23  848   4.066   4.103   3.807  0.2698  3.4949  0.2735
+   56LEU      C  849   4.347   3.955   4.041  0.0356 -0.1061  0.0699
+   56LEU      O  850   4.327   4.035   4.133 -0.1619 -0.6279  0.4862
+   57GLN      N  851   4.462   3.889   4.026  0.2308  0.1770  0.2898
+   57GLN      H  852   4.466   3.814   3.958  0.8041  1.0442 -0.6393
+   57GLN     CA  853   4.578   3.921   4.107  0.5274 -0.2156  0.0217
+   57GLN     HA  854   4.628   3.824   4.106  0.8324 -0.0694  0.7155
+   57GLN     CB  855   4.651   4.037   4.040 -0.6595  0.4979 -0.0576
+   57GLN    HB1  856   4.730   4.083   4.100 -0.3621  0.7853 -0.6673
+   57GLN    HB2  857   4.577   4.115   4.023 -1.5265 -0.2230  0.3732
+   57GLN     CG  858   4.710   4.005   3.902  0.1058  0.0732  0.3641
+   57GLN    HG1  859   4.750   4.098   3.864 -0.7568 -0.2669 -1.4014
+   57GLN    HG2  860   4.637   3.959   3.835 -0.7771  2.1093 -0.0980
+   57GLN     CD  861   4.822   3.902   3.911  0.1131  0.0671  0.2063
+   57GLN    OE1  862   4.931   3.954   3.931  0.3092 -0.1919 -0.1833
+   57GLN    NE2  863   4.798   3.771   3.905  0.0981  0.1016 -0.5542
+   57GLN   HE21  864   4.713   3.735   3.864  0.8663 -0.4406 -1.7123
+   57GLN   HE22  865   4.879   3.713   3.918 -0.8074 -1.3603 -1.2997
+   57GLN      C  866   4.551   3.940   4.256  0.0548 -0.2211 -0.0617
+   57GLN      O  867   4.579   4.046   4.311 -0.2269 -0.4237  0.4676
+   58ILE      N  868   4.500   3.833   4.315  0.2327 -0.0608  0.3796
+   58ILE      H  869   4.485   3.745   4.268 -2.0001  0.0833  0.7920
+   58ILE     CA  870   4.467   3.827   4.456 -0.0474 -0.1036  0.3124
+   58ILE     HA  871   4.417   3.918   4.488 -2.1358 -0.7740 -0.9866
+   58ILE     CB  872   4.356   3.724   4.477 -0.6160  0.3762 -0.3172
+   58ILE     HB  873   4.378   3.631   4.425 -1.5392  0.4265 -0.8000
+   58ILE    CG2  874   4.332   3.695   4.625  0.5896 -0.3972 -0.2599
+   58ILE   HG21  875   4.264   3.610   4.635 -1.2783  1.0427 -0.5211
+   58ILE   HG22  876   4.426   3.656   4.664 -1.4110 -4.1471  1.1217
+   58ILE   HG23  877   4.289   3.778   4.681 -0.1072 -0.6703 -0.3870
+   58ILE    CG1  878   4.232   3.780   4.408 -0.6522  0.3629 -0.2606
+   58ILE   HG11  879   4.254   3.825   4.311  0.0232 -2.6214 -1.5676
+   58ILE   HG12  880   4.191   3.866   4.460 -0.4713  0.3771 -0.1399
+   58ILE     CD  881   4.123   3.675   4.392  0.1505 -0.4888 -0.2440
+   58ILE    HD1  882   4.161   3.592   4.333 -4.3370 -1.2309 -2.3480
+   58ILE    HD2  883   4.091   3.650   4.494  0.0422 -1.1068 -0.4333
+   58ILE    HD3  884   4.041   3.720   4.336 -1.3628 -1.3426  1.2112
+   58ILE      C  885   4.596   3.801   4.533  0.0431  0.2641  0.2850
+   58ILE      O  886   4.675   3.713   4.499 -0.1895  0.2470 -0.2111
+   59ASN      N  887   4.619   3.881   4.638 -0.5769 -0.0499  0.6579
+   59ASN      H  888   4.546   3.949   4.657 -0.2058  0.1572  1.3228
+   59ASN     CA  889   4.743   3.888   4.712 -0.5782  0.3770  0.6209
+   59ASN     HA  890   4.824   3.867   4.642  0.5954  0.6401  1.8704
+   59ASN     CB  891   4.773   4.029   4.761 -0.1045  0.4552  0.1137
+   59ASN    HB1  892   4.695   4.054   4.833 -0.7314  0.4550 -0.5625
+   59ASN    HB2  893   4.772   4.096   4.675  1.9543 -2.3297 -2.1961
+   59ASN     CG  894   4.912   4.023   4.823 -0.1719 -0.4087  0.1838
+   59ASN    OD1  895   4.922   4.017   4.946  0.2161  0.1341  0.1811
+   59ASN    ND2  896   5.018   4.004   4.745 -0.0317  0.0048  0.2696
+   59ASN   HD21  897   4.996   3.980   4.649 -0.3311 -1.4701  0.6939
+   59ASN   HD22  898   5.110   3.994   4.784 -0.4706  2.8629  2.1521
+   59ASN      C  899   4.751   3.786   4.825 -0.2742 -0.1221  0.1512
+   59ASN      O  900   4.665   3.767   4.910 -0.2326 -0.0309  0.2121
+   60SER      N  901   4.859   3.708   4.827 -0.0732  0.1666  0.4825
+   60SER      H  902   4.919   3.725   4.747  1.9400  0.4846  2.0047
+   60SER     CA  903   4.899   3.610   4.926 -0.0662 -0.0045  0.3119
+   60SER     HA  904   4.814   3.545   4.942  0.3205 -1.0178 -1.6296
+   60SER     CB  905   5.007   3.517   4.874  0.0263  0.2030  0.1322
+   60SER    HB1  906   4.971   3.475   4.780 -0.2782  2.1474 -0.6411
+   60SER    HB2  907   5.019   3.439   4.949  1.6298  1.0858  0.8295
+   60SER     OG  908   5.134   3.573   4.847 -0.1652  0.4167 -0.3397
+   60SER     HG  909   5.187   3.494   4.858 -0.5896  0.3438  1.4414
+   60SER      C  910   4.938   3.659   5.065 -0.0219  0.5850  0.0960
+   60SER      O  911   4.964   3.578   5.154  0.4654  0.1801 -0.4105
+   61ARG      N  912   4.943   3.789   5.093 -0.0312  0.6053  0.0018
+   61ARG      H  913   4.925   3.847   5.012  1.9989  1.2154 -0.0516
+   61ARG     CA  914   4.963   3.844   5.225  0.2055  0.2631  0.1080
+   61ARG     HA  915   5.047   3.798   5.278  0.0709  1.4162  1.3579
+   61ARG     CB  916   4.995   3.992   5.207  0.0503  0.2859  0.0247
+   61ARG    HB1  917   4.910   4.051   5.173  1.3480  1.6385 -0.9557
+   61ARG    HB2  918   5.084   3.991   5.145  0.7996  1.5315  1.0459
+   61ARG     CG  919   5.031   4.069   5.334  0.1246 -0.1109  0.2442
+   61ARG    HG1  920   4.957   4.061   5.413 -0.7448 -2.6902 -0.7768
+   61ARG    HG2  921   5.033   4.174   5.304  0.2741 -0.1655  0.0611
+   61ARG     CD  922   5.163   4.036   5.404  0.0840 -0.0837  0.3351
+   61ARG    HD1  923   5.167   3.932   5.434 -4.6699 -0.0829  1.3582
+   61ARG    HD2  924   5.191   4.099   5.488  0.3716  0.2025  0.0285
+   61ARG     NE  925   5.272   4.052   5.307 -0.5100  0.2018 -0.2919
+   61ARG     HE  926   5.260   4.116   5.230  2.3045  0.4460 -0.5677
+   61ARG     CZ  927   5.391   3.992   5.322 -0.0605  1.1026 -0.2117
+   61ARG    NH1  928   5.423   3.914   5.427 -0.6306  0.4271 -0.5356
+   61ARG   HH11  929   5.365   3.907   5.509 -2.2949 -2.8661 -1.9064
+   61ARG   HH12  930   5.514   3.873   5.438 -0.8599  0.3616  1.2914
+   61ARG    NH2  931   5.487   4.001   5.230  0.1007  0.0542 -0.1524
+   61ARG   HH21  932   5.466   4.056   5.147  0.2478 -0.3936 -0.4884
+   61ARG   HH22  933   5.574   3.951   5.237 -0.5373 -1.2295 -1.1573
+   61ARG      C  934   4.835   3.833   5.307  0.1172 -0.1473 -0.0848
+   61ARG      O  935   4.837   3.802   5.426  0.1000 -0.3340 -0.1330
+   62TRP      N  936   4.719   3.851   5.244  0.1439  0.5389  0.0643
+   62TRP      H  937   4.723   3.894   5.152  3.2818 -1.0768 -0.6376
+   62TRP     CA  938   4.590   3.842   5.309  0.3652 -0.1142  0.4188
+   62TRP     HA  939   4.598   3.835   5.417  1.6254 -0.5995  0.3016
+   62TRP     CB  940   4.520   3.975   5.281  0.3447 -0.1588  0.2572
+   62TRP    HB1  941   4.432   3.988   5.344  0.1163 -2.6964  0.5146
+   62TRP    HB2  942   4.474   3.973   5.182  2.5870  0.1318 -0.8284
+   62TRP     CG  943   4.607   4.097   5.292  0.5430 -0.2331 -0.4448
+   62TRP    CD1  944   4.667   4.165   5.192  0.2983  0.0189 -0.4224
+   62TRP    HD1  945   4.655   4.153   5.085  0.5787  1.0292 -0.5662
+   62TRP    NE1  946   4.747   4.264   5.245 -0.1017  0.1737 -0.1042
+   62TRP    HE1  947   4.803   4.332   5.196 -0.9198  0.5825 -0.4665
+   62TRP    CE2  948   4.746   4.265   5.383  0.3701 -0.4391 -0.0923
+   62TRP    CZ2  949   4.806   4.352   5.475 -0.4904  0.5966 -0.4961
+   62TRP    HZ2  950   4.885   4.420   5.446 -1.0082  1.2854 -0.2973
+   62TRP    CH2  951   4.778   4.321   5.609 -0.2253  0.3858 -0.4889
+   62TRP    HH2  952   4.824   4.375   5.690  2.4410 -2.8204  0.2229
+   62TRP    CZ3  953   4.698   4.212   5.647  0.3192  0.0019 -0.4401
+   62TRP    HZ3  954   4.682   4.191   5.752  1.9100  3.7905  0.6580
+   62TRP    CE3  955   4.634   4.135   5.550  0.4727 -0.4107 -0.2133
+   62TRP    HE3  956   4.561   4.059   5.576  0.5198  0.0559  1.3749
+   62TRP    CD2  957   4.657   4.159   5.414  0.0717 -0.2351 -0.2491
+   62TRP      C  958   4.509   3.721   5.265  0.0453  0.3091 -0.1770
+   62TRP      O  959   4.466   3.648   5.354  0.3488  0.4596  0.0948
+   63TRP      N  960   4.493   3.693   5.136  0.1975  0.1113 -0.1542
+   63TRP      H  961   4.543   3.757   5.076 -0.6507 -0.4312 -1.4781
+   63TRP     CA  962   4.372   3.632   5.083  0.3642 -0.0129 -0.3910
+   63TRP     HA  963   4.294   3.650   5.156 -2.0222 -0.4082 -2.7818
+   63TRP     CB  964   4.338   3.709   4.956 -0.4066  0.3107  0.0134
+   63TRP    HB1  965   4.240   3.681   4.916 -0.0082  1.1901 -1.6196
+   63TRP    HB2  966   4.419   3.699   4.884  0.3642  0.3455  0.8623
+   63TRP     CG  967   4.307   3.853   4.985 -0.0382  0.3840  0.0378
+   63TRP    CD1  968   4.367   3.965   4.938  0.0772  0.1104 -0.4775
+   63TRP    HD1  969   4.454   3.963   4.874  0.8117  1.4929  0.4315
+   63TRP    NE1  970   4.309   4.077   4.994  0.4074  0.0968 -0.1021
+   63TRP    HE1  971   4.331   4.173   4.970  1.2368  0.4971  2.1664
+   63TRP    CE2  972   4.226   4.042   5.098  0.3159  0.3833 -0.0766
+   63TRP    CZ2  973   4.147   4.113   5.190  0.4880 -0.0633  0.4176
+   63TRP    HZ2  974   4.147   4.220   5.198 -1.0956 -0.0387  0.1552
+   63TRP    CH2  975   4.050   4.042   5.261 -0.1204  0.1471 -0.1919
+   63TRP    HH2  976   3.993   4.090   5.339 -1.4112  0.9763 -1.6164
+   63TRP    CZ3  977   4.018   3.910   5.227  0.3524  0.1204 -0.5352
+   63TRP    HZ3  978   3.937   3.853   5.271 -0.1964  0.7551 -0.7198
+   63TRP    CE3  979   4.098   3.837   5.138  0.8038 -0.5636  0.4179
+   63TRP    HE3  980   4.085   3.730   5.132  3.3735 -0.8997  0.0174
+   63TRP    CD2  981   4.204   3.904   5.074  0.1876  0.3334  0.3282
+   63TRP      C  982   4.388   3.482   5.064 -0.3902 -0.1636  0.1584
+   63TRP      O  983   4.290   3.408   5.074 -0.6693  0.1650 -0.1369
+   64CYS      N  984   4.507   3.430   5.033 -0.3405  0.0830 -0.0713
+   64CYS      H  985   4.583   3.496   5.031 -0.0684 -0.1974  0.6401
+   64CYS     CA  986   4.537   3.289   5.015 -0.2658  0.1346 -0.3459
+   64CYS     HA  987   4.450   3.238   5.055 -0.6520  0.9367 -0.1437
+   64CYS     CB  988   4.542   3.254   4.866  0.1405  0.0915 -0.3218
+   64CYS    HB1  989   4.439   3.251   4.831 -1.4314 -1.0353  4.0613
+   64CYS    HB2  990   4.583   3.155   4.848 -0.6535 -0.2234 -0.4179
+   64CYS     SG  991   4.655   3.356   4.768  0.2174  0.2163 -0.1025
+   64CYS      C  992   4.663   3.243   5.085 -0.4300  0.3173  0.0706
+   64CYS      O  993   4.749   3.322   5.123 -0.2940  0.0597  0.3002
+   65ASN      N  994   4.680   3.111   5.099  0.4444  0.3966 -0.1655
+   65ASN      H  995   4.602   3.051   5.074 -0.1886  1.9938 -2.1369
+   65ASN     CA  996   4.807   3.052   5.136  0.1874  0.0539  0.1723
+   65ASN     HA  997   4.869   3.132   5.176 -2.4582  1.8280  0.8633
+   65ASN     CB  998   4.788   2.954   5.252 -0.5221  0.0548  0.0595
+   65ASN    HB1  999   4.702   2.887   5.241 -0.5416 -0.7205  4.2286
+   65ASN    HB2 1000   4.769   3.024   5.334  2.0703  0.7939  0.0509
+   65ASN     CG 1001   4.914   2.882   5.296 -0.3750  0.2001 -0.1222
+   65ASN    OD1 1002   5.009   2.949   5.335 -0.2972  0.2647 -0.4216
+   65ASN    ND2 1003   4.918   2.748   5.293  0.7225  0.2242 -0.0064
+   65ASN   HD21 1004   4.844   2.695   5.249 -1.0783  3.5887 -1.2326
+   65ASN   HD22 1005   5.002   2.700   5.321 -0.2557 -2.9805 -2.2692
+   65ASN      C 1006   4.880   2.998   5.014  0.0538  0.1129  0.0649
+   65ASN      O 1007   4.824   2.917   4.940 -0.4416  0.1073  0.4435
+   66ASP      N 1008   4.998   3.055   4.990  0.2162 -0.3524 -0.2497
+   66ASP      H 1009   5.016   3.139   5.043  1.4927  0.3606 -1.7736
+   66ASP     CA 1010   5.105   3.006   4.906  0.2673  0.0900 -0.4470
+   66ASP     HA 1011   5.067   2.930   4.838  1.1477 -2.6449  2.0087
+   66ASP     CB 1012   5.172   3.124   4.836  0.5141  0.0885 -0.2139
+   66ASP    HB1 1013   5.101   3.181   4.776 -1.8803  1.6487  3.8841
+   66ASP    HB2 1014   5.238   3.096   4.754 -0.6143  0.2563 -1.1940
+   66ASP     CG 1015   5.233   3.225   4.932 -0.1633  0.0781  0.2311
+   66ASP    OD1 1016   5.251   3.201   5.054 -0.3553  0.5280  0.3475
+   66ASP    OD2 1017   5.243   3.343   4.893  0.3065 -0.0170  0.0619
+   66ASP      C 1018   5.208   2.927   4.986  0.1589  0.4596  0.0590
+   66ASP      O 1019   5.301   2.875   4.925 -0.1696  0.1245 -0.1664
+   67GLY      N 1020   5.202   2.909   5.118 -0.1772  0.1061 -0.0001
+   67GLY      H 1021   5.134   2.961   5.172  0.2031  0.2102  0.3836
+   67GLY     CA 1022   5.306   2.846   5.197  0.3959  0.5669 -0.3776
+   67GLY    HA1 1023   5.325   2.752   5.145 -0.8115 -0.3863  0.8513
+   67GLY    HA2 1024   5.261   2.824   5.294  1.5010 -0.8730 -0.1772
+   67GLY      C 1025   5.437   2.922   5.202  0.6216  0.1496  0.1072
+   67GLY      O 1026   5.528   2.859   5.256  0.3194 -0.3455  0.0488
+   68ARG      N 1027   5.452   3.038   5.138 -0.3472  0.2498  0.0617
+   68ARG      H 1028   5.363   3.078   5.112  0.3215  0.7210 -1.5966
+   68ARG     CA 1029   5.574   3.116   5.129 -0.0387 -0.2436 -0.0696
+   68ARG     HA 1030   5.627   3.087   5.220  0.2621 -2.5639 -0.9488
+   68ARG     CB 1031   5.657   3.073   5.009 -0.0821 -0.3728 -0.0540
+   68ARG    HB1 1032   5.665   2.964   5.004  2.1587 -0.2419 -0.0426
+   68ARG    HB2 1033   5.759   3.111   5.008  0.7044 -2.3652 -4.2144
+   68ARG     CG 1034   5.592   3.129   4.883 -0.2710 -0.0360  0.1896
+   68ARG    HG1 1035   5.545   3.224   4.907  3.6642  2.5983 -1.8661
+   68ARG    HG2 1036   5.519   3.058   4.845  0.2496 -0.4984  0.0313
+   68ARG     CD 1037   5.698   3.157   4.776 -0.3543  0.2692  0.1870
+   68ARG    HD1 1038   5.719   3.057   4.738  1.9523  0.8947 -0.2962
+   68ARG    HD2 1039   5.783   3.205   4.826  1.5896 -2.0224 -0.7890
+   68ARG     NE 1040   5.643   3.246   4.675  0.4478  0.5990  0.0371
+   68ARG     HE 1041   5.596   3.331   4.704 -0.4463  0.6688 -1.5817
+   68ARG     CZ 1042   5.636   3.225   4.543 -0.0301  0.0944  0.1435
+   68ARG    NH1 1043   5.686   3.111   4.493  0.3212  0.3026  0.0205
+   68ARG   HH11 1044   5.720   3.040   4.556 -1.3498  0.5094  1.1966
+   68ARG   HH12 1045   5.686   3.094   4.393 -1.0478  1.0778 -0.1159
+   68ARG    NH2 1046   5.584   3.310   4.454 -0.0389 -0.0033  0.0536
+   68ARG   HH21 1047   5.529   3.390   4.483 -1.2122  0.6879 -3.7750
+   68ARG   HH22 1048   5.579   3.279   4.358  0.8357  0.4806 -0.1566
+   68ARG      C 1049   5.568   3.264   5.165  0.2898 -0.1386 -0.4476
+   68ARG      O 1050   5.671   3.331   5.160 -0.0267  0.4526  0.7186
+   69THR      N 1051   5.450   3.303   5.215  0.6181  0.0579  0.1764
+   69THR      H 1052   5.364   3.254   5.193 -0.0331 -0.5867  3.7594
+   69THR     CA 1053   5.442   3.435   5.273 -0.4568  0.1921 -0.2706
+   69THR     HA 1054   5.534   3.487   5.247 -0.3741  0.0721 -0.2175
+   69THR     CB 1055   5.327   3.514   5.211 -0.9324 -0.3092 -0.0389
+   69THR     HB 1056   5.237   3.453   5.213 -0.2183 -1.3837 -0.4698
+   69THR    CG2 1057   5.299   3.644   5.287 -0.4982 -0.5735  0.5807
+   69THR   HG21 1058   5.388   3.706   5.278 -0.9719  0.0980  0.4601
+   69THR   HG22 1059   5.227   3.694   5.222 -1.0930 -0.9125  0.9769
+   69THR   HG23 1060   5.270   3.625   5.390  0.2246  1.1379  1.1082
+   69THR    OG1 1061   5.346   3.544   5.074 -0.0061 -0.0970  0.1304
+   69THR    HG1 1062   5.311   3.468   5.027  0.7238  0.9734 -2.2404
+   69THR      C 1063   5.426   3.415   5.423  0.3703 -0.3430 -0.2528
+   69THR      O 1064   5.313   3.385   5.461  0.3631  0.4446  0.3529
+   70PRO      N 1065   5.532   3.421   5.504  0.2029 -0.3515 -0.0306
+   70PRO     CD 1066   5.672   3.432   5.465  0.0452  0.0152 -0.5057
+   70PRO    HD1 1067   5.686   3.508   5.389 -1.7034 -1.5198 -2.4290
+   70PRO    HD2 1068   5.717   3.336   5.438  1.5812 -0.0462  2.1335
+   70PRO     CG 1069   5.746   3.476   5.590 -0.5388  0.3033 -0.2594
+   70PRO    HG1 1070   5.739   3.584   5.604 -1.6775  0.1227  0.6616
+   70PRO    HG2 1071   5.849   3.442   5.601 -0.1333  1.4838 -0.2824
+   70PRO     CB 1072   5.665   3.419   5.706  0.1396 -0.2146 -0.0389
+   70PRO    HB1 1073   5.671   3.475   5.800 -0.8463 -1.2689  0.6704
+   70PRO    HB2 1074   5.686   3.315   5.733  1.1816 -0.1129 -0.4565
+   70PRO     CA 1075   5.524   3.418   5.648  0.1393 -0.4335 -0.0366
+   70PRO     HA 1076   5.485   3.318   5.669  2.0468 -0.9867  0.9861
+   70PRO      C 1077   5.426   3.524   5.696 -0.2262 -0.5644 -0.4903
+   70PRO      O 1078   5.429   3.640   5.658 -0.6202 -0.4418 -0.1601
+   71GLY      N 1079   5.335   3.483   5.786  0.1983  0.1030  0.2441
+   71GLY      H 1080   5.332   3.383   5.792 -0.7305  0.0317 -1.2539
+   71GLY     CA 1081   5.221   3.556   5.837  0.1302  0.5488 -0.5450
+   71GLY    HA1 1082   5.253   3.653   5.876  0.7042  1.1128 -2.3680
+   71GLY    HA2 1083   5.181   3.492   5.915  0.7865  2.4920  1.4348
+   71GLY      C 1084   5.107   3.585   5.740 -0.2486 -0.1343 -0.2988
+   71GLY      O 1085   5.035   3.683   5.757 -0.2203 -0.0863 -0.4640
+   72SER      N 1086   5.090   3.495   5.643 -0.3412 -0.7118  0.2499
+   72SER      H 1087   5.163   3.426   5.627 -2.1119 -2.3379 -1.0274
+   72SER     CA 1088   4.972   3.509   5.560  0.0340 -0.3337 -0.2188
+   72SER     HA 1089   4.984   3.613   5.533 -0.4504 -0.1296  0.3358
+   72SER     CB 1090   4.988   3.415   5.441  0.0885  0.0182 -0.4862
+   72SER    HB1 1091   5.021   3.315   5.468 -0.0163 -0.6493 -2.7358
+   72SER    HB2 1092   5.062   3.453   5.369  1.4583  0.7830  1.2962
+   72SER     OG 1093   4.864   3.405   5.375  0.0890 -0.1143 -0.4667
+   72SER     HG 1094   4.889   3.375   5.287 -0.1400 -2.4045  0.2149
+   72SER      C 1095   4.852   3.485   5.650  0.1047  0.1015 -0.0055
+   72SER      O 1096   4.856   3.405   5.744 -0.6338  0.5406  0.4026
+   73ARG      N 1097   4.742   3.555   5.619 -0.0053  0.0525  0.2673
+   73ARG      H 1098   4.755   3.617   5.540  1.8557 -0.6305  0.0075
+   73ARG     CA 1099   4.613   3.550   5.684 -0.1376 -0.3918 -0.0276
+   73ARG     HA 1100   4.622   3.512   5.785 -0.4406 -1.9149 -0.5639
+   73ARG     CB 1101   4.548   3.687   5.698  0.7591  0.0535 -0.1960
+   73ARG    HB1 1102   4.446   3.680   5.736  1.1910 -0.2697  0.8989
+   73ARG    HB2 1103   4.555   3.736   5.601 -1.2949  2.9220  1.0316
+   73ARG     CG 1104   4.616   3.763   5.811 -0.5481  0.7379  0.1440
+   73ARG    HG1 1105   4.721   3.780   5.785 -0.2599 -0.3154  0.5848
+   73ARG    HG2 1106   4.600   3.697   5.897  0.2200 -0.1004 -0.3486
+   73ARG     CD 1107   4.547   3.898   5.831 -0.0874  1.0253 -0.2200
+   73ARG    HD1 1108   4.441   3.895   5.807  0.0331  1.6721 -0.8486
+   73ARG    HD2 1109   4.596   3.969   5.765 -0.6530  1.8401  0.2302
+   73ARG     NE 1110   4.574   3.940   5.968 -0.0305  0.3516 -0.0189
+   73ARG     HE 1111   4.648   3.890   6.016  1.2223  1.4783 -0.7368
+   73ARG     CZ 1112   4.523   4.048   6.030  0.0194  0.2513  0.1953
+   73ARG    NH1 1113   4.434   4.126   5.968 -0.4376 -0.6576 -0.3017
+   73ARG   HH11 1114   4.413   4.116   5.870 -0.2379 -1.3257 -0.2817
+   73ARG   HH12 1115   4.401   4.215   6.002  1.0353 -0.1773 -0.1191
+   73ARG    NH2 1116   4.543   4.086   6.157  0.6261 -0.0636  0.1959
+   73ARG   HH21 1117   4.557   4.021   6.234  1.0719 -1.0202 -0.6830
+   73ARG   HH22 1118   4.516   4.181   6.179  2.6121  0.6273 -0.2600
+   73ARG      C 1119   4.511   3.451   5.630  0.1416 -0.5340 -0.2929
+   73ARG      O 1120   4.429   3.400   5.706 -0.3024  0.3181 -0.2054
+   74ASN      N 1121   4.525   3.417   5.501  0.7839 -0.2743 -0.2970
+   74ASN      H 1122   4.587   3.483   5.457  1.7828 -0.3800  0.9281
+   74ASN     CA 1123   4.439   3.330   5.422  0.1650 -0.1119  0.1897
+   74ASN     HA 1124   4.462   3.347   5.317 -0.3829 -0.6859 -0.0237
+   74ASN     CB 1125   4.483   3.185   5.442  0.1205 -0.1492  0.0074
+   74ASN    HB1 1126   4.440   3.154   5.537 -1.5100  1.2686 -0.2421
+   74ASN    HB2 1127   4.590   3.180   5.458  0.5286  3.0490 -1.3050
+   74ASN     CG 1128   4.417   3.090   5.343 -0.3037 -0.2423  0.3735
+   74ASN    OD1 1129   4.334   3.126   5.260 -0.0300 -0.0345  0.1894
+   74ASN    ND2 1130   4.460   2.964   5.355 -0.0871 -0.1924  0.1343
+   74ASN   HD21 1131   4.516   2.927   5.431  2.2881 -0.5679 -1.7381
+   74ASN   HD22 1132   4.428   2.895   5.288 -3.0997  0.7610  0.5213
+   74ASN      C 1133   4.291   3.356   5.447  0.1390 -0.0305 -0.0436
+   74ASN      O 1134   4.218   3.269   5.492  0.3530 -0.5020 -0.5968
+   75LEU      N 1135   4.249   3.479   5.420 -0.3911 -0.1804  0.0995
+   75LEU      H 1136   4.318   3.546   5.389  0.2301 -0.6392  0.4776
+   75LEU     CA 1137   4.114   3.522   5.451 -0.1850  0.2866  0.3565
+   75LEU     HA 1138   4.087   3.494   5.553  2.6348  3.8530  2.2047
+   75LEU     CB 1139   4.116   3.675   5.455  0.0023  0.2872  0.2490
+   75LEU    HB1 1140   4.018   3.719   5.434  1.9413  3.2870 -2.9915
+   75LEU    HB2 1141   4.174   3.705   5.368 -1.9848 -0.9714 -1.5752
+   75LEU     CG 1142   4.194   3.742   5.567  0.3054  0.9122 -0.3341
+   75LEU     HG 1143   4.289   3.689   5.568 -1.4119 -2.2861  1.2160
+   75LEU    CD1 1144   4.205   3.893   5.547  0.7001  0.7443 -1.4421
+   75LEU   HD11 1145   4.279   3.934   5.617 -0.0645  0.6947 -0.5964
+   75LEU   HD12 1146   4.240   3.912   5.446 -0.5573 -1.2753 -2.2806
+   75LEU   HD13 1147   4.110   3.946   5.555  0.3274 -0.2982  1.7628
+   75LEU    CD2 1148   4.121   3.713   5.698  0.1384 -0.3333 -0.6967
+   75LEU   HD21 1149   4.166   3.770   5.779 -0.9238  1.2415 -1.2035
+   75LEU   HD22 1150   4.016   3.741   5.687  0.1993 -0.8958 -3.0996
+   75LEU   HD23 1151   4.115   3.609   5.731  0.8086  0.1452  0.9741
+   75LEU      C 1152   4.004   3.464   5.364  0.0179 -0.1321  0.3745
+   75LEU      O 1153   3.885   3.469   5.396 -0.0197  0.0691  0.2112
+   76CYS      N 1154   4.038   3.400   5.252 -0.1615 -0.1117  0.3067
+   76CYS      H 1155   4.135   3.398   5.224 -0.3422  1.3300 -0.4129
+   76CYS     CA 1156   3.951   3.334   5.157  0.0865  0.1804 -0.1188
+   76CYS     HA 1157   3.857   3.381   5.185  0.2322  0.5431 -0.2251
+   76CYS     CB 1158   3.970   3.380   5.012 -0.4726 -0.2887 -0.3425
+   76CYS    HB1 1159   3.901   3.328   4.946 -0.4323 -0.6060 -0.1360
+   76CYS    HB2 1160   4.074   3.355   4.990  0.1532  3.4786 -2.0560
+   76CYS     SG 1161   3.931   3.555   4.984 -0.0376 -0.1424 -0.0591
+   76CYS      C 1162   3.948   3.184   5.180 -0.0333  0.2314  0.2002
+   76CYS      O 1163   3.877   3.113   5.109  0.0339 -0.0777  0.4424
+   77ASN      N 1164   4.032   3.134   5.270  0.1346  0.1086 -0.0236
+   77ASN      H 1165   4.098   3.199   5.310  0.8442  0.8029 -2.2548
+   77ASN     CA 1166   4.039   2.996   5.312 -0.7167 -0.1037 -0.5705
+   77ASN     HA 1167   4.128   2.993   5.375 -0.1923  1.6967 -1.2071
+   77ASN     CB 1168   3.922   2.963   5.405 -0.5734  0.0869 -0.3239
+   77ASN    HB1 1169   3.829   2.967   5.349 -1.1217  1.5182  0.6541
+   77ASN    HB2 1170   3.923   3.044   5.479 -1.8108 -0.2395  0.0621
+   77ASN     CG 1171   3.927   2.827   5.475 -0.1549  0.2458 -0.0399
+   77ASN    OD1 1172   3.842   2.740   5.459  0.3058 -0.1616 -0.2981
+   77ASN    ND2 1173   4.038   2.805   5.546  0.2552  0.2232 -0.6783
+   77ASN   HD21 1174   4.105   2.879   5.560  0.5039  0.1431 -1.4248
+   77ASN   HD22 1175   4.059   2.711   5.576 -1.2640 -0.8637 -2.8532
+   77ASN      C 1176   4.062   2.906   5.191  0.0541 -0.0581 -0.4594
+   77ASN      O 1177   3.998   2.802   5.178  0.1908 -0.1809 -0.1559
+   78ILE      N 1178   4.156   2.947   5.106  0.2382  0.0170 -0.2229
+   78ILE      H 1179   4.207   3.031   5.128  0.5006 -0.4281  0.8953
+   78ILE     CA 1180   4.199   2.881   4.984 -0.2400  0.0370 -0.4054
+   78ILE     HA 1181   4.165   2.778   4.996 -2.0182  0.5203 -1.2418
+   78ILE     CB 1182   4.124   2.934   4.862  0.0586  0.7405 -0.2805
+   78ILE     HB 1183   4.180   2.899   4.776 -0.1780  1.0569 -0.5644
+   78ILE    CG2 1184   3.987   2.869   4.852  0.1069  0.5946 -0.0143
+   78ILE   HG21 1185   3.946   2.879   4.751  0.4603  3.3011  0.0757
+   78ILE   HG22 1186   3.988   2.761   4.867 -3.3446  0.6155  0.8564
+   78ILE   HG23 1187   3.919   2.919   4.920  0.2738  1.6537 -0.6098
+   78ILE    CG1 1188   4.115   3.086   4.852 -0.7087  0.7114 -0.0451
+   78ILE   HG11 1189   4.215   3.125   4.872  0.4359 -1.7731 -0.7089
+   78ILE   HG12 1190   4.039   3.119   4.923 -2.1494 -0.9374 -0.7925
+   78ILE     CD 1191   4.080   3.125   4.708  0.0430  0.2438 -0.3546
+   78ILE    HD1 1192   4.097   3.229   4.684  0.1110  0.0371 -1.2099
+   78ILE    HD2 1193   4.151   3.076   4.641  0.5401 -0.0229  0.3546
+   78ILE    HD3 1194   3.980   3.088   4.684  0.1310 -0.9437  1.0035
+   78ILE      C 1195   4.351   2.879   4.975 -0.2127  0.3754 -0.0303
+   78ILE      O 1196   4.426   2.964   5.023 -0.1992  0.1746  0.3063
+   79PRO      N 1197   4.400   2.776   4.906 -0.5928  0.1886 -0.0187
+   79PRO     CD 1198   4.344   2.646   4.877 -0.5657  0.1220  0.2227
+   79PRO    HD1 1199   4.237   2.656   4.859 -0.4792  1.6740  0.5172
+   79PRO    HD2 1200   4.365   2.580   4.961  1.0734 -0.2113 -0.4267
+   79PRO     CG 1201   4.428   2.594   4.761 -0.1293  0.7823  0.2399
+   79PRO    HG1 1202   4.394   2.627   4.663 -0.5997 -1.0871 -0.2527
+   79PRO    HG2 1203   4.425   2.485   4.765 -1.9046  0.8295  0.5765
+   79PRO     CB 1204   4.566   2.640   4.805  0.2255  0.2011 -0.2441
+   79PRO    HB1 1205   4.645   2.635   4.730  0.4046 -1.2243  0.0322
+   79PRO    HB2 1206   4.590   2.580   4.892 -1.6979 -0.1851  0.0308
+   79PRO     CA 1207   4.533   2.783   4.849 -0.4507 -0.1160  0.2754
+   79PRO     HA 1208   4.603   2.822   4.923 -0.1163  0.3383 -0.2720
+   79PRO      C 1209   4.543   2.877   4.730  0.2670 -0.6722 -0.1125
+   79PRO      O 1210   4.443   2.889   4.659  0.8157  0.0056 -0.7739
+   80CYS      N 1211   4.653   2.950   4.711 -0.2194  0.0098 -0.3502
+   80CYS      H 1212   4.734   2.919   4.764  1.6636  1.7339 -2.1421
+   80CYS     CA 1213   4.658   3.044   4.602 -0.2063  0.2721 -0.1246
+   80CYS     HA 1214   4.565   3.100   4.614  0.7534  1.5189  1.6780
+   80CYS     CB 1215   4.787   3.125   4.608  0.1486 -0.3322  0.3646
+   80CYS    HB1 1216   4.777   3.192   4.523  0.3067 -0.1080  0.5226
+   80CYS    HB2 1217   4.876   3.065   4.591 -0.9559 -2.1238  0.7704
+   80CYS     SG 1218   4.817   3.234   4.750  0.2627  0.2795 -0.1279
+   80CYS      C 1219   4.656   2.971   4.468  0.1246  0.1761 -0.0779
+   80CYS      O 1220   4.610   3.034   4.372 -0.0277 -0.4857 -0.4391
+   81SER      N 1221   4.701   2.846   4.454 -0.5378 -0.0615 -0.0809
+   81SER      H 1222   4.759   2.802   4.523  1.5735  0.2585 -1.5929
+   81SER     CA 1223   4.687   2.762   4.337  0.0350  0.1227 -0.2798
+   81SER     HA 1224   4.748   2.797   4.253  1.8792 -1.7975  0.2084
+   81SER     CB 1225   4.753   2.627   4.365 -0.2261 -0.0051 -0.2784
+   81SER    HB1 1226   4.856   2.644   4.397 -0.2915  1.8406 -0.9667
+   81SER    HB2 1227   4.756   2.567   4.274 -1.3438 -0.2659 -0.1460
+   81SER     OG 1228   4.681   2.543   4.453  0.5294 -0.4505 -0.0777
+   81SER     HG 1229   4.738   2.475   4.489  2.3715  0.5035 -1.0913
+   81SER      C 1230   4.549   2.748   4.276 -0.2578  0.1667  0.3684
+   81SER      O 1231   4.550   2.747   4.153  0.3502 -0.1215  0.3766
+   82ALA      N 1232   4.440   2.751   4.353 -0.4509 -0.1331  0.1094
+   82ALA      H 1233   4.452   2.772   4.451 -1.7057 -0.7557  0.4125
+   82ALA     CA 1234   4.304   2.731   4.307 -0.4115  0.1064 -0.1061
+   82ALA     HA 1235   4.310   2.648   4.235  0.6611 -0.4428  0.6014
+   82ALA     CB 1236   4.220   2.707   4.432  0.8669 -0.4998  0.6520
+   82ALA    HB1 1237   4.271   2.625   4.482 -0.9291 -1.3698  1.0917
+   82ALA    HB2 1238   4.224   2.793   4.499  0.0171 -0.2719  0.4131
+   82ALA    HB3 1239   4.119   2.685   4.399  0.8109  0.4426  0.1614
+   82ALA      C 1240   4.258   2.847   4.220 -0.0561  0.3612  0.0484
+   82ALA      O 1241   4.157   2.832   4.152  0.0347  0.0738 -0.0213
+   83LEU      N 1242   4.324   2.962   4.239  0.3927  0.1847 -0.4197
+   83LEU      H 1243   4.409   2.959   4.294  0.3690 -0.5012 -0.4156
+   83LEU     CA 1244   4.299   3.088   4.172  0.0145  0.1873 -0.2737
+   83LEU     HA 1245   4.193   3.097   4.147  0.1272 -1.1063 -1.2917
+   83LEU     CB 1246   4.356   3.202   4.255  0.2662 -0.2278  0.1248
+   83LEU    HB1 1247   4.324   3.284   4.191  0.1316 -1.3073 -1.2185
+   83LEU    HB2 1248   4.465   3.206   4.248  0.1477  1.7249 -1.0242
+   83LEU     CG 1249   4.300   3.219   4.396 -0.1887 -0.0009 -0.0839
+   83LEU     HG 1250   4.305   3.126   4.453 -1.3236  1.1424  1.9369
+   83LEU    CD1 1251   4.395   3.314   4.468  0.2310 -0.3279 -0.2025
+   83LEU   HD11 1252   4.492   3.269   4.488  1.4953  1.7188 -1.4416
+   83LEU   HD12 1253   4.410   3.407   4.414 -0.2391 -0.6817 -0.9488
+   83LEU   HD13 1254   4.347   3.340   4.563  4.0375 -1.9788  2.2797
+   83LEU    CD2 1255   4.161   3.282   4.392  0.0081  0.4205 -0.3123
+   83LEU   HD21 1256   4.171   3.365   4.321  0.9242  0.3266 -0.2996
+   83LEU   HD22 1257   4.094   3.208   4.348  0.3364 -1.2725  1.9510
+   83LEU   HD23 1258   4.124   3.310   4.490  1.9576  0.8728  0.3237
+   83LEU      C 1259   4.361   3.094   4.034  0.3306  0.4126 -0.1209
+   83LEU      O 1260   4.324   3.179   3.953 -0.0188  0.7219  0.3676
+   84LEU      N 1261   4.451   3.001   4.000 -0.0721  0.1066 -0.3578
+   84LEU      H 1262   4.487   2.938   4.069  0.9177  1.4251  0.3617
+   84LEU     CA 1263   4.501   2.980   3.865  0.0017 -0.1220 -0.2927
+   84LEU     HA 1264   4.505   3.072   3.807 -0.8897 -0.4006 -0.7928
+   84LEU     CB 1265   4.645   2.929   3.880  0.1638  0.5119  0.3647
+   84LEU    HB1 1266   4.683   2.906   3.780 -0.4314  0.1311  0.2228
+   84LEU    HB2 1267   4.643   2.842   3.946 -0.2187 -0.5323 -1.0060
+   84LEU     CG 1268   4.753   3.012   3.949  0.2915  0.3773  0.3268
+   84LEU     HG 1269   4.721   3.020   4.053  0.8451  1.6363  0.4097
+   84LEU    CD1 1270   4.885   2.937   3.950  0.3768  0.5110 -0.3146
+   84LEU   HD11 1271   4.917   2.915   3.849 -0.5780 -3.1283  0.0973
+   84LEU   HD12 1272   4.966   2.999   3.989  1.9750 -1.7386  0.0743
+   84LEU   HD13 1273   4.872   2.837   3.993 -0.9339 -0.5241 -3.0444
+   84LEU    CD2 1274   4.773   3.147   3.882  0.1910  0.0740 -0.3177
+   84LEU   HD21 1275   4.685   3.209   3.901  2.2128  3.5438 -1.7708
+   84LEU   HD22 1276   4.855   3.194   3.935 -0.5139  1.0029 -0.0277
+   84LEU   HD23 1277   4.790   3.130   3.775 -2.7441 -2.7104 -0.4347
+   84LEU      C 1278   4.422   2.883   3.779  0.3464 -0.7990  0.1363
+   84LEU      O 1279   4.456   2.870   3.661 -0.0197 -0.2339 -0.0367
+   85SER      N 1280   4.309   2.831   3.829  0.0101  0.0598  0.2877
+   85SER      H 1281   4.281   2.868   3.918 -1.4775  1.9812 -0.9352
+   85SER     CA 1282   4.212   2.755   3.754 -0.2556  0.4279  0.2590
+   85SER     HA 1283   4.252   2.667   3.704  0.1665  0.2849  0.8564
+   85SER     CB 1284   4.106   2.699   3.848 -0.0885  0.1111  0.2582
+   85SER    HB1 1285   4.048   2.777   3.897  0.7407  0.6194  0.4406
+   85SER    HB2 1286   4.153   2.639   3.926 -0.7135  0.4202  0.8853
+   85SER     OG 1287   4.029   2.601   3.781 -0.4631  0.0399  0.7864
+   85SER     HG 1288   3.960   2.568   3.838 -0.7078  0.5172  0.7727
+   85SER      C 1289   4.136   2.828   3.643 -0.4103  0.1483  0.1798
+   85SER      O 1290   4.119   2.950   3.646 -0.0542  0.2010  0.1462
+   86SER      N 1291   4.101   2.755   3.537 -0.2513  0.1698  0.1128
+   86SER      H 1292   4.137   2.660   3.541 -0.0423  0.2456  0.0514
+   86SER     CA 1293   4.024   2.801   3.423  0.1789 -0.1813 -0.3211
+   86SER     HA 1294   4.058   2.898   3.388 -0.2225  0.5050  1.1543
+   86SER     CB 1295   4.024   2.701   3.308 -0.3189 -0.0514 -0.4322
+   86SER    HB1 1296   3.971   2.742   3.222 -1.0473 -1.0015 -0.4570
+   86SER    HB2 1297   3.972   2.609   3.337 -1.3816  0.5560 -0.3911
+   86SER     OG 1298   4.158   2.670   3.281  0.0313  0.6423  0.4835
+   86SER     HG 1299   4.196   2.606   3.342  0.3387  0.8343  0.4989
+   86SER      C 1300   3.879   2.835   3.456  0.0226 -0.5635 -0.6203
+   86SER      O 1301   3.823   2.907   3.374 -0.0863  0.2107  0.1418
+   87ASP      N 1302   3.826   2.792   3.570  0.1329  0.9002 -0.0107
+   87ASP      H 1303   3.878   2.730   3.630 -1.3574 -0.5831 -0.2088
+   87ASP     CA 1304   3.696   2.822   3.626  0.0238  0.2048  0.1223
+   87ASP     HA 1305   3.633   2.858   3.545  0.1978 -0.1613 -0.1760
+   87ASP     CB 1306   3.655   2.697   3.703 -0.3918  0.2039 -0.1007
+   87ASP    HB1 1307   3.731   2.660   3.771 -0.0948 -0.3450 -0.7311
+   87ASP    HB2 1308   3.642   2.634   3.615  1.7964  0.9553 -0.9769
+   87ASP     CG 1309   3.518   2.700   3.770 -0.2433 -0.1356  0.2219
+   87ASP    OD1 1310   3.456   2.809   3.774 -0.3236 -0.1316 -0.9126
+   87ASP    OD2 1311   3.468   2.596   3.818 -0.3658 -0.0762  0.2226
+   87ASP      C 1312   3.713   2.937   3.725 -0.0395  0.3320 -0.0133
+   87ASP      O 1313   3.792   2.938   3.819  0.4242 -0.5179 -0.3942
+   88ILE      N 1314   3.638   3.045   3.701 -0.3697  0.0797 -0.1118
+   88ILE      H 1315   3.578   3.049   3.620 -0.3123 -0.5879 -0.1949
+   88ILE     CA 1316   3.661   3.169   3.772  0.0724  0.0405 -0.1879
+   88ILE     HA 1317   3.769   3.181   3.781 -0.0215  0.2880  0.5812
+   88ILE     CB 1318   3.639   3.292   3.684  0.2654  0.2067 -0.0034
+   88ILE     HB 1319   3.661   3.381   3.743 -2.8795  0.4220  0.9387
+   88ILE    CG2 1320   3.716   3.294   3.553  0.1645  0.1968 -0.0627
+   88ILE   HG21 1321   3.689   3.212   3.487  2.2054 -0.0894 -0.5939
+   88ILE   HG22 1322   3.709   3.379   3.485  1.1810 -0.4255 -0.9698
+   88ILE   HG23 1323   3.823   3.293   3.574  0.5884  1.4182 -1.9937
+   88ILE    CG1 1324   3.488   3.309   3.666  0.2529 -0.2143 -0.2895
+   88ILE   HG11 1325   3.438   3.303   3.762 -0.7505 -0.8597 -0.8406
+   88ILE   HG12 1326   3.445   3.225   3.611 -0.7265  0.1075 -0.0100
+   88ILE     CD 1327   3.445   3.441   3.603 -1.0544 -0.2469  0.5348
+   88ILE    HD1 1328   3.336   3.437   3.604 -1.0374 -3.7470 -2.3802
+   88ILE    HD2 1329   3.486   3.527   3.656 -1.6760  0.5492 -0.2709
+   88ILE    HD3 1330   3.482   3.447   3.501 -0.0567 -1.8710  0.7920
+   88ILE      C 1331   3.600   3.163   3.911  0.0866 -0.0262 -0.1846
+   88ILE      O 1332   3.624   3.257   3.986  0.3123 -0.1835 -0.0588
+   89THR      N 1333   3.527   3.058   3.948 -0.0374  0.2913  0.4686
+   89THR      H 1334   3.514   2.984   3.881 -1.1771  1.2920 -0.4437
+   89THR     CA 1335   3.448   3.050   4.070 -0.4660 -0.1729  0.1644
+   89THR     HA 1336   3.364   3.119   4.057  1.4361  1.8780 -1.6694
+   89THR     CB 1337   3.398   2.907   4.087  0.4600 -0.5106  0.0798
+   89THR     HB 1338   3.477   2.832   4.095 -0.0540 -1.2055 -1.1703
+   89THR    CG2 1339   3.324   2.895   4.220  0.1586  0.2127 -0.0187
+   89THR   HG21 1340   3.255   2.809   4.218  0.2195  0.1848 -1.4508
+   89THR   HG22 1341   3.385   2.905   4.309  0.6641  0.9286 -0.4411
+   89THR   HG23 1342   3.257   2.981   4.221  0.2997  0.5940 -5.5450
+   89THR    OG1 1343   3.311   2.871   3.983  0.5417  0.2201 -0.2488
+   89THR    HG1 1344   3.363   2.855   3.904 -0.1165  0.8373 -0.8180
+   89THR      C 1345   3.520   3.105   4.192  0.0972 -0.2264 -0.1413
+   89THR      O 1346   3.487   3.212   4.243 -0.1233 -0.4348  0.1597
+   90ALA      N 1347   3.633   3.042   4.227  0.0669 -0.1988  0.0092
+   90ALA      H 1348   3.674   2.966   4.175  0.6059 -0.0084  0.1552
+   90ALA     CA 1349   3.710   3.070   4.347  0.0523  0.3554 -0.1104
+   90ALA     HA 1350   3.640   3.065   4.430 -0.6849  1.3563 -0.6612
+   90ALA     CB 1351   3.799   2.948   4.370 -0.0120  0.3624  0.1705
+   90ALA    HB1 1352   3.730   2.864   4.370 -1.7748  1.7464  1.2976
+   90ALA    HB2 1353   3.871   2.936   4.289 -1.3222 -2.1133 -0.6831
+   90ALA    HB3 1354   3.859   2.966   4.459  0.1451 -0.6059  0.2595
+   90ALA      C 1355   3.782   3.204   4.357  0.0899  0.3170  0.1390
+   90ALA      O 1356   3.806   3.247   4.469 -0.4448  0.1218  0.3319
+   91SER      N 1357   3.814   3.261   4.241  0.7552 -0.3728 -0.0222
+   91SER      H 1358   3.798   3.209   4.155 -1.3510  0.3891 -0.1360
+   91SER     CA 1359   3.856   3.400   4.232 -0.6252  0.0559 -0.0538
+   91SER     HA 1360   3.933   3.428   4.304 -0.3197 -0.0735 -0.3281
+   91SER     CB 1361   3.917   3.435   4.097  0.2696  0.1072  0.3614
+   91SER    HB1 1362   3.949   3.539   4.094 -0.6130  0.3940  0.7370
+   91SER    HB2 1363   3.848   3.416   4.015  0.6699 -1.2778  0.3252
+   91SER     OG 1364   4.037   3.363   4.073  0.0230 -0.1079 -0.2298
+   91SER     HG 1365   4.009   3.271   4.065  0.0665 -0.0078 -1.6971
+   91SER      C 1366   3.739   3.494   4.257 -0.6102  0.1593 -0.3709
+   91SER      O 1367   3.750   3.591   4.332 -0.4401  0.2677 -0.5348
+   92VAL      N 1368   3.624   3.466   4.195 -0.7564 -0.3628  0.1245
+   92VAL      H 1369   3.620   3.375   4.153 -1.2659 -0.3891  0.2253
+   92VAL     CA 1370   3.505   3.549   4.199 -0.1144  0.5826 -0.0590
+   92VAL     HA 1371   3.534   3.648   4.165 -1.6325  0.7401 -0.9495
+   92VAL     CB 1372   3.393   3.501   4.107  0.1048 -0.4590  0.2065
+   92VAL     HB 1373   3.368   3.397   4.126  2.0948 -0.8763  0.6471
+   92VAL    CG1 1374   3.271   3.587   4.138 -0.0478 -0.4180 -0.5076
+   92VAL   HG11 1375   3.295   3.693   4.138 -2.5252  0.2103  1.4435
+   92VAL   HG12 1376   3.203   3.581   4.053  1.4622  0.3198 -1.7859
+   92VAL   HG13 1377   3.221   3.561   4.231 -3.4201  3.1353 -1.1964
+   92VAL    CG2 1378   3.420   3.517   3.958  0.2580  0.0756  0.2895
+   92VAL   HG21 1379   3.434   3.622   3.934  1.1781 -0.6995 -2.8135
+   92VAL   HG22 1380   3.511   3.462   3.934 -1.2343 -2.4158  0.1330
+   92VAL   HG23 1381   3.331   3.485   3.904  0.3987 -1.1157  0.7511
+   92VAL      C 1382   3.464   3.556   4.346  1.0085  0.4986  0.2635
+   92VAL      O 1383   3.430   3.661   4.399  0.2740  0.5247 -0.2421
+   93ASN      N 1384   3.459   3.440   4.412  0.1381  0.0439 -0.5795
+   93ASN      H 1385   3.486   3.351   4.373 -2.5862 -1.3297  0.5923
+   93ASN     CA 1386   3.412   3.432   4.549  0.2751  0.3224 -0.5149
+   93ASN     HA 1387   3.313   3.474   4.562  0.2993 -0.0735  1.0020
+   93ASN     CB 1388   3.405   3.283   4.583 -0.1458  0.5911  0.5805
+   93ASN    HB1 1389   3.397   3.273   4.691  0.3379 -0.5968  0.5092
+   93ASN    HB2 1390   3.491   3.222   4.556 -1.5481 -0.9694 -0.4748
+   93ASN     CG 1391   3.297   3.193   4.523  0.5980  0.5624 -0.7355
+   93ASN    OD1 1392   3.319   3.074   4.505  0.0965  0.3767 -0.1255
+   93ASN    ND2 1393   3.176   3.242   4.498  0.0462 -0.2641  0.2960
+   93ASN   HD21 1394   3.151   3.337   4.523 -0.2347 -0.0689 -0.7226
+   93ASN   HD22 1395   3.104   3.182   4.459 -1.7102 -0.5164  3.7101
+   93ASN      C 1396   3.502   3.506   4.646 -0.1078 -0.1021  0.1646
+   93ASN      O 1397   3.453   3.580   4.732 -0.0277 -0.6138  0.6482
+   94CYS      N 1398   3.634   3.501   4.630 -0.0293  0.9855  0.3707
+   94CYS      H 1399   3.670   3.438   4.559 -2.9294 -1.8831  1.3351
+   94CYS     CA 1400   3.735   3.576   4.701  0.5443  0.7028 -0.1333
+   94CYS     HA 1401   3.727   3.563   4.809  2.6866  2.1946  0.2363
+   94CYS     CB 1402   3.873   3.516   4.677  0.0611 -0.7073  0.5545
+   94CYS    HB1 1403   3.913   3.543   4.579  1.6038  0.2540  1.4294
+   94CYS    HB2 1404   3.874   3.408   4.691 -1.3049 -0.5890  1.6326
+   94CYS     SG 1405   3.993   3.587   4.793  0.3646 -0.3658  0.0348
+   94CYS      C 1406   3.737   3.726   4.673  0.5297  0.7327  0.0243
+   94CYS      O 1407   3.734   3.809   4.763 -0.5417  0.9478 -0.2005
+   95ALA      N 1408   3.723   3.766   4.546  0.0705 -0.2882 -0.2535
+   95ALA      H 1409   3.721   3.712   4.461 -1.7676  0.7901 -0.9391
+   95ALA     CA 1410   3.702   3.904   4.506 -0.0383 -0.0696  0.5529
+   95ALA     HA 1411   3.777   3.965   4.556  0.9438  0.1207 -1.1104
+   95ALA     CB 1412   3.709   3.910   4.354  0.9339  0.6082  0.6216
+   95ALA    HB1 1413   3.811   3.894   4.318  1.0460 -0.4956  1.4021
+   95ALA    HB2 1414   3.640   3.837   4.311  3.9835 -1.3959 -1.1089
+   95ALA    HB3 1415   3.682   4.010   4.319 -0.6481 -0.4216 -1.2030
+   95ALA      C 1416   3.577   3.964   4.568  0.0349  0.2330  0.4063
+   95ALA      O 1417   3.582   4.082   4.604  0.3209  0.1119  0.7683
+   96LYS      N 1418   3.467   3.892   4.591 -0.2488  0.6983  0.5144
+   96LYS      H 1419   3.464   3.799   4.553 -1.6177  1.0032 -0.1852
+   96LYS     CA 1420   3.350   3.937   4.665 -0.6151 -0.2271  0.5030
+   96LYS     HA 1421   3.326   4.039   4.633 -1.3796 -0.7584 -0.6527
+   96LYS     CB 1422   3.227   3.847   4.659 -0.1076 -0.9267  0.5006
+   96LYS    HB1 1423   3.153   3.894   4.725 -0.0263 -0.0901  0.0072
+   96LYS    HB2 1424   3.251   3.744   4.685 -0.7304 -1.2596 -0.2264
+   96LYS     CG 1425   3.169   3.838   4.518  0.2563  1.1363  0.1996
+   96LYS    HG1 1426   3.238   3.791   4.448 -1.8975  0.5763 -1.6059
+   96LYS    HG2 1427   3.152   3.942   4.491  1.0944  1.6841  1.6975
+   96LYS     CD 1428   3.036   3.764   4.519  0.7236  0.2845  0.2568
+   96LYS    HD1 1429   2.965   3.806   4.590 -0.6255 -1.8881  0.2454
+   96LYS    HD2 1430   3.055   3.660   4.546 -0.9245 -0.0241  0.2932
+   96LYS     CE 1431   2.967   3.768   4.382  0.2633 -0.0688  0.4751
+   96LYS    HE1 1432   3.041   3.768   4.302 -0.5779  0.5700 -0.3160
+   96LYS    HE2 1433   2.918   3.865   4.378 -1.7339 -1.0469  0.8607
+   96LYS     NZ 1434   2.861   3.670   4.353  0.6217 -0.2326 -0.2778
+   96LYS    HZ1 1435   2.884   3.574   4.375 -1.1569 -0.2398  1.6396
+   96LYS    HZ2 1436   2.778   3.689   4.406 -0.2080 -0.4058 -1.5105
+   96LYS    HZ3 1437   2.834   3.665   4.256  1.2728 -0.8083 -0.4390
+   96LYS      C 1438   3.378   3.970   4.811  1.0015  0.1683  0.1184
+   96LYS      O 1439   3.295   4.040   4.867  0.3905 -0.3954 -0.0683
+   97LYS      N 1440   3.484   3.917   4.871  0.4685 -0.4238  0.5414
+   97LYS      H 1441   3.557   3.885   4.809 -0.1395 -2.3503  0.7820
+   97LYS     CA 1442   3.529   3.941   5.007  0.0133  0.2418  0.5765
+   97LYS     HA 1443   3.442   3.965   5.067  0.7851  3.2825  0.5618
+   97LYS     CB 1444   3.608   3.821   5.060 -0.0348  0.0238  0.1592
+   97LYS    HB1 1445   3.645   3.849   5.159  2.0004 -1.8960 -0.0325
+   97LYS    HB2 1446   3.691   3.789   4.999  2.5115  4.4032  1.0876
+   97LYS     CG 1447   3.519   3.700   5.087  0.2122 -0.0908  0.4610
+   97LYS    HG1 1448   3.586   3.613   5.082  0.2924 -0.0683  1.1565
+   97LYS    HG2 1449   3.458   3.671   5.001  0.1709 -1.6014  0.9739
+   97LYS     CD 1450   3.432   3.708   5.212  0.7252  0.0297  0.8106
+   97LYS    HD1 1451   3.367   3.795   5.201  0.7101 -0.0786  0.0229
+   97LYS    HD2 1452   3.498   3.722   5.298  0.7589 -1.8784  1.1077
+   97LYS     CE 1453   3.345   3.585   5.234 -0.0721  0.4951  0.2543
+   97LYS    HE1 1454   3.409   3.502   5.207  1.0356  1.8625 -1.4663
+   97LYS    HE2 1455   3.260   3.588   5.165  0.3699 -0.7942 -0.3609
+   97LYS     NZ 1456   3.305   3.563   5.374 -0.6524  0.0902  0.0281
+   97LYS    HZ1 1457   3.264   3.472   5.386  0.3966 -0.3911  0.0594
+   97LYS    HZ2 1458   3.384   3.564   5.436  1.0640 -2.1582 -2.0177
+   97LYS    HZ3 1459   3.239   3.634   5.400 -0.8983 -0.7179  1.6316
+   97LYS      C 1460   3.608   4.071   5.007  0.2110  0.1232  0.0459
+   97LYS      O 1461   3.587   4.151   5.098 -0.1362  0.3764 -0.2551
+   98ILE      N 1462   3.700   4.092   4.912  0.5244 -0.1199  0.2930
+   98ILE      H 1463   3.736   4.010   4.865  2.0141  1.7754 -1.9938
+   98ILE     CA 1464   3.798   4.198   4.898 -0.2528  0.4954 -0.5728
+   98ILE     HA 1465   3.849   4.210   4.993  1.8900  0.6279 -1.7012
+   98ILE     CB 1466   3.901   4.152   4.795  0.1457 -0.0636  0.0692
+   98ILE     HB 1467   3.846   4.125   4.704 -0.3774  0.1680  0.3148
+   98ILE    CG2 1468   3.996   4.264   4.751  0.0665 -0.0811 -0.1456
+   98ILE   HG21 1469   4.052   4.289   4.840 -1.1104 -0.0412  0.5991
+   98ILE   HG22 1470   4.056   4.229   4.667  1.5461 -0.8403  1.2131
+   98ILE   HG23 1471   3.940   4.350   4.715  1.2837  0.2947 -1.1761
+   98ILE    CG1 1472   3.985   4.031   4.834 -0.0488 -0.1675  0.1657
+   98ILE   HG11 1473   3.918   3.955   4.873 -0.3898 -0.1851 -0.4352
+   98ILE   HG12 1474   4.045   4.069   4.916 -2.6830 -1.0056  2.5622
+   98ILE     CD 1475   4.079   3.977   4.726 -0.0547 -0.3462  0.2501
+   98ILE    HD1 1476   4.091   3.871   4.750 -1.0967 -0.6999 -0.7434
+   98ILE    HD2 1477   4.034   3.983   4.627 -0.2419  0.4278  0.3751
+   98ILE    HD3 1478   4.181   4.014   4.735  0.4824 -1.7464  0.0226
+   98ILE      C 1479   3.737   4.334   4.868 -0.3541  0.6680  0.4044
+   98ILE      O 1480   3.776   4.433   4.929  0.5002  0.2978  0.4666
+   99VAL      N 1481   3.633   4.335   4.784  0.1096  0.5511 -0.1764
+   99VAL      H 1482   3.602   4.251   4.738  1.9324 -0.7858  1.0098
+   99VAL     CA 1483   3.551   4.451   4.754  0.4836  0.8034 -0.2238
+   99VAL     HA 1484   3.621   4.533   4.738  1.0144  0.6389  1.1993
+   99VAL     CB 1485   3.488   4.424   4.617  0.3256  0.0835 -0.0081
+   99VAL     HB 1486   3.553   4.369   4.549 -0.7257 -1.0404 -0.1279
+   99VAL    CG1 1487   3.365   4.337   4.643  0.1001  0.2307 -0.5950
+   99VAL   HG11 1488   3.334   4.306   4.543  0.4591  1.0547 -0.9699
+   99VAL   HG12 1489   3.395   4.250   4.701  2.1183 -0.4969 -2.6446
+   99VAL   HG13 1490   3.291   4.402   4.690  0.4296  0.0599  0.1534
+   99VAL    CG2 1491   3.452   4.555   4.549 -0.0584 -0.0147  0.0008
+   99VAL   HG21 1492   3.415   4.544   4.447 -0.2399  1.6162 -0.1306
+   99VAL   HG22 1493   3.375   4.619   4.593 -0.4514 -0.5279  0.0589
+   99VAL   HG23 1494   3.545   4.612   4.551  0.9553 -1.6555  1.6051
+   99VAL      C 1495   3.458   4.488   4.868  0.4222 -0.1224  0.0292
+   99VAL      O 1496   3.408   4.600   4.863  0.7036 -0.0138 -0.3748
+  100SER      N 1497   3.435   4.401   4.967  0.1700  0.0747  0.1441
+  100SER      H 1498   3.482   4.312   4.965 -0.2145 -0.1154 -2.0247
+  100SER     CA 1499   3.346   4.423   5.079  0.0989  0.5445 -0.0015
+  100SER     HA 1500   3.283   4.508   5.056  0.2392  0.4195 -0.8590
+  100SER     CB 1501   3.267   4.294   5.103 -0.1894  0.6893 -0.1769
+  100SER    HB1 1502   3.203   4.315   5.189  0.6067  1.3198  0.2791
+  100SER    HB2 1503   3.333   4.216   5.140  1.9077  1.8424 -1.3826
+  100SER     OG 1504   3.190   4.252   4.993  0.4957  0.2682 -0.4975
+  100SER     HG 1505   3.235   4.183   4.945  2.0327  0.2388  0.9385
+  100SER      C 1506   3.416   4.469   5.206  0.4629 -0.3186  0.1174
+  100SER      O 1507   3.351   4.475   5.311  0.3302  0.3795  0.0017
+  101ASP      N 1508   3.547   4.492   5.204  0.4449 -0.2094  0.1612
+  101ASP      H 1509   3.582   4.530   5.117  2.3890 -2.5547 -0.1216
+  101ASP     CA 1510   3.638   4.507   5.316  0.3241 -0.0595  0.2396
+  101ASP     HA 1511   3.597   4.451   5.400 -2.4832  1.7148  0.1258
+  101ASP     CB 1512   3.769   4.442   5.273  0.1395 -0.4229  0.2269
+  101ASP    HB1 1513   3.833   4.518   5.228  0.1416 -0.1838  0.6344
+  101ASP    HB2 1514   3.761   4.373   5.189 -0.0213 -2.8195  2.1478
+  101ASP     CG 1515   3.847   4.384   5.390  0.0635 -0.1118  0.4314
+  101ASP    OD1 1516   3.797   4.295   5.462 -0.3038  0.5161  0.9603
+  101ASP    OD2 1517   3.965   4.423   5.407 -0.0662  0.4498  0.0522
+  101ASP      C 1518   3.661   4.652   5.357 -0.0919  0.1829 -0.3679
+  101ASP      O 1519   3.717   4.673   5.465 -0.6148  0.0214 -0.0658
+  102GLY      N 1520   3.616   4.752   5.282  0.0784  0.2819 -0.3405
+  102GLY      H 1521   3.583   4.725   5.190  0.5855 -1.0759 -0.1327
+  102GLY     CA 1522   3.618   4.890   5.325  0.5389  0.2191 -0.1606
+  102GLY    HA1 1523   3.704   4.900   5.391  0.7317  0.2765 -0.4212
+  102GLY    HA2 1524   3.525   4.913   5.378  0.8320 -0.7308  0.7947
+  102GLY      C 1525   3.637   4.987   5.209 -0.5001 -0.2443 -0.7266
+  102GLY      O 1526   3.567   5.088   5.203  0.6033  0.5670 -0.0968
+  103ASN      N 1527   3.727   4.948   5.118  0.5071 -0.0045  0.1541
+  103ASN      H 1528   3.767   4.856   5.132 -1.9902 -0.9029  1.7732
+  103ASN     CA 1529   3.778   5.037   5.016 -0.7925  0.1872 -0.3337
+  103ASN     HA 1530   3.730   5.134   5.032 -1.0220  0.0173  0.0074
+  103ASN     CB 1531   3.929   5.053   5.020 -0.8023  0.1092  0.3457
+  103ASN    HB1 1532   3.949   5.122   4.938 -2.9067  0.4198  0.0691
+  103ASN    HB2 1533   3.987   4.963   4.997  1.2471  1.7673 -1.2499
+  103ASN     CG 1534   3.974   5.114   5.152  0.4883  0.2866 -0.1663
+  103ASN    OD1 1535   4.057   5.063   5.228 -0.0554 -0.5620 -0.1428
+  103ASN    ND2 1536   3.919   5.228   5.196  0.5698  0.3091 -0.1203
+  103ASN   HD21 1537   3.846   5.283   5.152 -0.0276 -0.9035 -0.6671
+  103ASN   HD22 1538   3.967   5.263   5.277  0.5396  0.4628 -0.1687
+  103ASN      C 1539   3.732   5.007   4.874 -0.3143  0.1958 -0.4902
+  103ASN      O 1540   3.778   5.067   4.777  0.0439 -0.5770 -0.8009
+  104GLY      N 1541   3.642   4.910   4.857 -0.5868  0.3046  0.3125
+  104GLY      H 1542   3.601   4.879   4.944  1.9504  2.0616  2.2209
+  104GLY     CA 1543   3.581   4.874   4.730 -0.1152 -0.2196  0.2308
+  104GLY    HA1 1544   3.533   4.966   4.695  1.8955  1.3443  1.4926
+  104GLY    HA2 1545   3.502   4.799   4.738 -1.2961  0.9628  0.0292
+  104GLY      C 1546   3.686   4.829   4.631 -0.5482 -0.4752 -0.1159
+  104GLY      O 1547   3.792   4.777   4.665 -0.0611  0.5956  0.0310
+  105MET      N 1548   3.664   4.851   4.501 -0.2384 -0.9793 -0.2569
+  105MET      H 1549   3.571   4.878   4.474 -0.1498 -0.2195  0.1996
+  105MET     CA 1550   3.759   4.831   4.393  0.1365 -0.4341 -0.0282
+  105MET     HA 1551   3.800   4.732   4.410  0.0687 -0.3764  0.4988
+  105MET     CB 1552   3.696   4.829   4.254  0.4307 -0.3317 -0.1625
+  105MET    HB1 1553   3.772   4.801   4.181 -1.1180 -0.5278 -1.7181
+  105MET    HB2 1554   3.653   4.927   4.233 -1.4293 -1.1262 -0.0823
+  105MET     CG 1555   3.582   4.731   4.231 -0.2845  0.4908 -0.1689
+  105MET    HG1 1556   3.495   4.766   4.287 -2.3242 -1.7045 -1.8513
+  105MET    HG2 1557   3.605   4.639   4.287  0.2517 -0.6448 -2.2042
+  105MET     SD 1558   3.520   4.679   4.070  0.0150 -0.2731 -0.0450
+  105MET     CE 1559   3.665   4.588   4.012  0.1788  0.0481 -0.1448
+  105MET    HE1 1560   3.673   4.504   4.081  1.1098  0.9651  0.8624
+  105MET    HE2 1561   3.641   4.561   3.909 -0.0745  2.4087 -0.7211
+  105MET    HE3 1562   3.755   4.648   4.015  1.3471 -1.7103  1.1595
+  105MET      C 1563   3.895   4.900   4.398 -0.3171  0.4765 -0.1603
+  105MET      O 1564   3.993   4.857   4.338  0.4438  0.8539  0.8207
+  106ASN      N 1565   3.911   5.002   4.482  0.1274  0.8721 -0.7217
+  106ASN      H 1566   3.830   5.032   4.534  0.8442  1.6785 -0.0539
+  106ASN     CA 1567   4.039   5.062   4.514  0.1544  0.2475  0.3568
+  106ASN     HA 1568   4.079   5.100   4.420 -0.7469 -0.5040 -0.3360
+  106ASN     CB 1569   4.038   5.189   4.599 -0.1296  0.1106  0.5590
+  106ASN    HB1 1570   4.136   5.235   4.612  0.0590 -0.9081  3.1883
+  106ASN    HB2 1571   4.012   5.162   4.701  0.3809  2.2719  1.2803
+  106ASN     CG 1572   3.945   5.296   4.546  0.2903  0.3581  0.3150
+  106ASN    OD1 1573   3.992   5.386   4.477  0.3307  0.1530  0.0797
+  106ASN    ND2 1574   3.816   5.283   4.580  0.0280  0.2928 -0.7057
+  106ASN   HD21 1575   3.790   5.217   4.651  2.2943  1.4691  1.2937
+  106ASN   HD22 1576   3.750   5.354   4.550 -0.6759  0.4026  1.0737
+  106ASN      C 1577   4.152   4.971   4.560 -0.2898 -0.4863  0.0061
+  106ASN      O 1578   4.269   5.008   4.566 -0.4496 -0.0700  0.5951
+  107ALA      N 1579   4.111   4.859   4.621 -0.3271 -0.3148  0.2975
+  107ALA      H 1580   4.012   4.851   4.635 -0.8696  4.8438  0.3747
+  107ALA     CA 1581   4.205   4.755   4.655  0.1859  0.1012  0.1672
+  107ALA     HA 1582   4.270   4.797   4.731  0.8616  0.7038 -0.7373
+  107ALA     CB 1583   4.115   4.647   4.715 -0.3712 -0.0300 -0.8854
+  107ALA    HB1 1584   4.175   4.560   4.743  0.9234  0.6303 -1.5687
+  107ALA    HB2 1585   4.058   4.686   4.799  1.7857  0.4751  0.4085
+  107ALA    HB3 1586   4.057   4.608   4.632  0.0874  2.3413 -2.3588
+  107ALA      C 1587   4.276   4.686   4.540 -0.1148  0.1365 -0.0397
+  107ALA      O 1588   4.371   4.614   4.573 -0.0055  0.1193 -0.3839
+  108TRP      N 1589   4.236   4.713   4.415 -0.7648 -0.3484  0.0637
+  108TRP      H 1590   4.170   4.788   4.404 -1.5749 -1.0283  0.1762
+  108TRP     CA 1591   4.315   4.677   4.300 -0.3609  0.0507  0.2188
+  108TRP     HA 1592   4.392   4.604   4.323 -0.2096 -0.6888 -2.4370
+  108TRP     CB 1593   4.225   4.603   4.202 -0.4193  0.2403  0.1296
+  108TRP    HB1 1594   4.267   4.599   4.101  0.4703  0.0639  0.4993
+  108TRP    HB2 1595   4.130   4.655   4.200  0.6141  2.1469 -3.0308
+  108TRP     CG 1596   4.190   4.461   4.236  0.1549  0.0335 -0.1232
+  108TRP    CD1 1597   4.263   4.352   4.208  0.3977  0.0162  0.5723
+  108TRP    HD1 1598   4.359   4.345   4.157  1.4773 -1.5126  2.7049
+  108TRP    NE1 1599   4.199   4.241   4.259 -0.0568  0.2811  0.5717
+  108TRP    HE1 1600   4.238   4.150   4.241  0.8762  0.9544 -0.8609
+  108TRP    CE2 1601   4.079   4.272   4.322 -0.1256  0.2800  0.4420
+  108TRP    CZ2 1602   3.976   4.200   4.382 -0.3541  0.1756 -0.0689
+  108TRP    HZ2 1603   3.979   4.093   4.396 -1.3194  0.2317  0.6708
+  108TRP    CH2 1604   3.866   4.269   4.437 -0.2578  0.1420  0.1680
+  108TRP    HH2 1605   3.789   4.215   4.489  0.1479 -1.9030 -1.2788
+  108TRP    CZ3 1606   3.856   4.408   4.422 -0.1844  0.1399  0.0847
+  108TRP    HZ3 1607   3.784   4.459   4.485  1.2786  1.1718  0.9439
+  108TRP    CE3 1608   3.961   4.479   4.362 -0.3017 -0.1162 -0.4241
+  108TRP    HE3 1609   3.963   4.586   4.352 -0.5085 -0.0354  0.3467
+  108TRP    CD2 1610   4.070   4.412   4.303  0.1064  0.2293 -0.0643
+  108TRP      C 1611   4.378   4.805   4.245 -0.2416  0.1037  0.4726
+  108TRP      O 1612   4.310   4.899   4.203 -0.7908 -0.2265  0.6241
+  109VAL      N 1613   4.511   4.811   4.242 -0.2535  0.1968 -0.0237
+  109VAL      H 1614   4.560   4.730   4.278  0.5799  1.0435  0.7792
+  109VAL     CA 1615   4.580   4.931   4.198  0.2295  0.2035  0.7404
+  109VAL     HA 1616   4.525   5.009   4.251 -0.0730 -0.1636  0.9743
+  109VAL     CB 1617   4.728   4.930   4.234  0.3370  0.0268  0.2932
+  109VAL     HB 1618   4.731   4.919   4.342 -0.7722 -0.2718  0.2981
+  109VAL    CG1 1619   4.796   4.801   4.188 -0.5556 -0.3710  0.0846
+  109VAL   HG11 1620   4.899   4.799   4.225  0.3177  0.9370 -2.1691
+  109VAL   HG12 1621   4.740   4.714   4.222  0.4908 -1.2327 -0.3764
+  109VAL   HG13 1622   4.802   4.800   4.079 -3.0383  0.8883 -0.1179
+  109VAL    CG2 1623   4.817   5.046   4.189 -0.7339  0.7062 -0.0779
+  109VAL   HG21 1624   4.909   5.046   4.246  0.0833 -1.2444 -1.3623
+  109VAL   HG22 1625   4.827   5.039   4.080 -1.9612  1.3146 -0.2464
+  109VAL   HG23 1626   4.768   5.140   4.215  0.4144  1.1433  0.5442
+  109VAL      C 1627   4.553   4.966   4.052 -0.4677 -0.4836  0.7024
+  109VAL      O 1628   4.545   5.082   4.012  0.5896 -0.5537  0.2871
+  110ALA      N 1629   4.534   4.866   3.966  0.2157 -0.0539  0.0548
+  110ALA      H 1630   4.541   4.774   4.006 -0.1463 -0.7590 -1.4612
+  110ALA     CA 1631   4.518   4.888   3.823 -0.3603  0.1136  0.1435
+  110ALA     HA 1632   4.592   4.960   3.787  0.7181 -2.0475 -2.0793
+  110ALA     CB 1633   4.533   4.756   3.748 -0.1340  0.3505 -0.2300
+  110ALA    HB1 1634   4.603   4.700   3.810 -0.2032 -0.4175 -0.8408
+  110ALA    HB2 1635   4.435   4.711   3.733 -0.8460  1.3726  1.2039
+  110ALA    HB3 1636   4.571   4.769   3.647 -1.4758  0.3244 -0.7502
+  110ALA      C 1637   4.379   4.945   3.799 -0.3793 -0.0763 -0.1935
+  110ALA      O 1638   4.358   5.043   3.728 -0.5154  0.5176  0.6628
+  111TRP      N 1639   4.282   4.894   3.876  0.0706 -0.4977  0.0968
+  111TRP      H 1640   4.297   4.812   3.933 -0.5588 -2.0723 -1.9460
+  111TRP     CA 1641   4.148   4.949   3.879  0.4796  0.4894  0.3069
+  111TRP     HA 1642   4.106   4.949   3.779  1.2470  2.9418 -0.0547
+  111TRP     CB 1643   4.046   4.867   3.958  0.2782  0.0257 -0.4325
+  111TRP    HB1 1644   4.086   4.845   4.057  2.3546  1.3158 -0.9385
+  111TRP    HB2 1645   4.034   4.774   3.903 -1.1608  0.0359 -0.1559
+  111TRP     CG 1646   3.908   4.923   3.957  0.1060 -0.3939  0.0532
+  111TRP    CD1 1647   3.818   4.896   3.859 -0.0822 -0.7368  0.3201
+  111TRP    HD1 1648   3.834   4.833   3.773  3.4730  1.5592 -0.8009
+  111TRP    NE1 1649   3.704   4.972   3.878  0.5523  0.3870 -0.3423
+  111TRP    HE1 1650   3.624   4.977   3.817 -0.0664  1.4631  0.5371
+  111TRP    CE2 1651   3.712   5.053   3.990  0.3119 -0.0233 -0.0231
+  111TRP    CZ2 1652   3.629   5.155   4.038 -0.3579 -0.6028  0.0457
+  111TRP    HZ2 1653   3.538   5.181   3.985 -1.1078  0.1256  1.6531
+  111TRP    CH2 1654   3.673   5.216   4.156  0.1092 -0.6271 -0.1156
+  111TRP    HH2 1655   3.611   5.290   4.204 -1.7638  0.0332 -3.3743
+  111TRP    CZ3 1656   3.799   5.193   4.212  0.1856  0.1572  0.0445
+  111TRP    HZ3 1657   3.833   5.250   4.297 -1.0939  0.2512  0.5076
+  111TRP    CE3 1658   3.882   5.098   4.151 -0.0859 -0.1550  0.1581
+  111TRP    HE3 1659   3.979   5.084   4.198  1.0478  2.6277 -1.2006
+  111TRP    CD2 1660   3.841   5.022   4.040  0.6411  0.4749 -0.5510
+  111TRP      C 1661   4.150   5.094   3.927 -0.4140  0.4587  0.4427
+  111TRP      O 1662   4.092   5.179   3.860 -0.2075  0.5321  0.3584
+  112ARG      N 1663   4.218   5.126   4.037 -0.0229  0.4546  0.2021
+  112ARG      H 1664   4.257   5.048   4.089 -0.3251 -0.6924 -1.2611
+  112ARG     CA 1665   4.229   5.263   4.081  0.6352  0.3533  0.3668
+  112ARG     HA 1666   4.124   5.294   4.085  0.4478  0.2003 -2.4121
+  112ARG     CB 1667   4.297   5.256   4.218  0.4492 -0.1433  0.4346
+  112ARG    HB1 1668   4.394   5.213   4.193  0.6839  0.4580  0.2918
+  112ARG    HB2 1669   4.246   5.189   4.287 -0.6490  0.4827  0.2417
+  112ARG     CG 1670   4.329   5.391   4.281 -0.1880  0.0542  0.3375
+  112ARG    HG1 1671   4.256   5.464   4.245 -0.5714  1.4471  3.6586
+  112ARG    HG2 1672   4.425   5.429   4.248 -1.0883  2.1815  0.0874
+  112ARG     CD 1673   4.327   5.385   4.434  0.9477  1.1855  0.4107
+  112ARG    HD1 1674   4.222   5.367   4.460  0.8808  0.5604 -0.2648
+  112ARG    HD2 1675   4.350   5.485   4.469 -0.8878  2.1554 -1.0201
+  112ARG     NE 1676   4.398   5.271   4.492  0.4824  0.4988 -0.3549
+  112ARG     HE 1677   4.348   5.183   4.487 -0.9334  1.3988 -2.7853
+  112ARG     CZ 1678   4.531   5.256   4.498  0.3497 -0.5066  0.1718
+  112ARG    NH1 1679   4.608   5.352   4.445 -0.0874 -0.1760  0.1297
+  112ARG   HH11 1680   4.573   5.443   4.421  2.7135  0.5188 -1.5149
+  112ARG   HH12 1681   4.708   5.341   4.439 -0.2186 -0.3322 -2.1956
+  112ARG    NH2 1682   4.592   5.141   4.529  0.6858 -0.4499 -0.2707
+  112ARG   HH21 1683   4.538   5.062   4.562  0.2469 -0.6649 -1.5059
+  112ARG   HH22 1684   4.691   5.145   4.551  0.6993 -1.4669 -0.1143
+  112ARG      C 1685   4.293   5.362   3.984  0.0244  0.2209 -0.1746
+  112ARG      O 1686   4.252   5.478   3.989 -0.3198  0.1041 -0.3054
+  113ASN      N 1687   4.394   5.322   3.907  0.2181 -0.0576  0.2221
+  113ASN      H 1688   4.436   5.234   3.934  1.2314  0.6490  0.9597
+  113ASN     CA 1689   4.473   5.405   3.818 -0.3086  0.2319  0.0258
+  113ASN     HA 1690   4.472   5.509   3.850  0.1039  0.1901  0.1724
+  113ASN     CB 1691   4.619   5.368   3.842 -0.3084  0.4074  0.3012
+  113ASN    HB1 1692   4.687   5.415   3.771  3.0973 -3.8651  0.5947
+  113ASN    HB2 1693   4.626   5.260   3.828  0.7984  0.2836  1.7085
+  113ASN     CG 1694   4.664   5.408   3.981  0.0386  0.2027  0.2464
+  113ASN    OD1 1695   4.601   5.485   4.053  0.1904  0.0093  0.5917
+  113ASN    ND2 1696   4.773   5.348   4.032  0.4266  0.3283 -0.4331
+  113ASN   HD21 1697   4.828   5.271   3.995  2.3691  0.3535  2.2672
+  113ASN   HD22 1698   4.800   5.382   4.123 -1.5017 -0.3238  0.4135
+  113ASN      C 1699   4.431   5.400   3.672 -0.4433  0.0800  0.0689
+  113ASN      O 1700   4.462   5.489   3.593 -0.2547  0.1297  0.2010
+  114ARG      N 1701   4.360   5.296   3.629 -0.2805  0.0355 -0.0966
+  114ARG      H 1702   4.348   5.221   3.697 -1.2205  0.8402  0.6569
+  114ARG     CA 1703   4.322   5.270   3.492  0.0656 -0.1620 -0.1553
+  114ARG     HA 1704   4.364   5.356   3.440 -0.9503 -0.5087 -1.5890
+  114ARG     CB 1705   4.399   5.157   3.423 -0.0839 -0.1442 -0.3526
+  114ARG    HB1 1706   4.381   5.170   3.316  1.7811 -0.5266 -0.7131
+  114ARG    HB2 1707   4.373   5.056   3.454  0.0652 -1.4163 -4.2217
+  114ARG     CG 1708   4.548   5.176   3.447 -0.1478  0.1588 -0.1822
+  114ARG    HG1 1709   4.574   5.167   3.553  0.6662 -2.6732 -0.5680
+  114ARG    HG2 1710   4.570   5.271   3.399 -2.6984  1.1160  0.4909
+  114ARG     CD 1711   4.643   5.070   3.392 -0.4037 -0.0897 -0.1518
+  114ARG    HD1 1712   4.637   4.983   3.457 -0.9320 -0.6734 -0.9674
+  114ARG    HD2 1713   4.746   5.108   3.394 -0.3792 -0.1871  5.0763
+  114ARG     NE 1714   4.621   5.050   3.248  0.0688 -0.3394 -0.1908
+  114ARG     HE 1715   4.547   5.104   3.206 -0.5924 -0.7900  0.4009
+  114ARG     CZ 1716   4.708   4.994   3.163  0.3638 -0.4309  0.1661
+  114ARG    NH1 1717   4.818   4.935   3.210  0.4439  0.1713  0.7307
+  114ARG   HH11 1718   4.834   4.937   3.310  0.5150 -0.0658  0.7237
+  114ARG   HH12 1719   4.889   4.894   3.151  0.2760  1.1338 -0.1580
+  114ARG    NH2 1720   4.685   4.982   3.031  0.4419  0.7036  0.0422
+  114ARG   HH21 1721   4.619   5.051   2.999 -1.0454  0.8637  3.2509
+  114ARG   HH22 1722   4.735   4.913   2.977 -0.6322  0.0157 -0.0909
+  114ARG      C 1723   4.173   5.255   3.462  0.0206 -0.5358  0.2659
+  114ARG      O 1724   4.140   5.279   3.347  0.1353 -0.2672  0.2884
+  115CYS      N 1725   4.086   5.221   3.558 -0.1550 -0.3341  0.1766
+  115CYS      H 1726   4.132   5.209   3.647  0.3185  0.9528  0.1291
+  115CYS     CA 1727   3.945   5.195   3.539 -0.1037 -0.4256 -0.0856
+  115CYS     HA 1728   3.929   5.211   3.432  2.3102  0.6756 -0.3131
+  115CYS     CB 1729   3.915   5.053   3.585 -0.0857 -0.2910  0.3473
+  115CYS    HB1 1730   3.815   5.029   3.548  0.9989 -2.0802 -1.5399
+  115CYS    HB2 1731   3.919   5.058   3.694  0.3310  2.0488  0.2353
+  115CYS     SG 1732   4.010   4.918   3.510  0.1290 -0.0630  0.2110
+  115CYS      C 1733   3.857   5.301   3.605 -0.0894 -0.5257  0.0956
+  115CYS      O 1734   3.763   5.344   3.538  0.0350 -0.5175 -0.0760
+  116LYS      N 1735   3.890   5.346   3.726 -0.8287 -0.0509  0.1226
+  116LYS      H 1736   3.981   5.316   3.759 -1.4574 -0.0057  1.9393
+  116LYS     CA 1737   3.813   5.437   3.809 -0.1412  0.5421  0.1182
+  116LYS     HA 1738   3.719   5.392   3.840 -0.1478  0.3187 -0.2171
+  116LYS     CB 1739   3.906   5.461   3.928  0.2203 -0.3561  0.0225
+  116LYS    HB1 1740   3.986   5.529   3.900 -1.6391  1.9911  0.2211
+  116LYS    HB2 1741   3.941   5.360   3.953 -1.3654 -1.1096 -0.7059
+  116LYS     CG 1742   3.813   5.523   4.032  0.0108 -0.0439 -0.3480
+  116LYS    HG1 1743   3.735   5.451   4.056  0.5391 -0.0679  1.4080
+  116LYS    HG2 1744   3.775   5.621   4.003 -0.1010  0.2142  0.6565
+  116LYS     CD 1745   3.900   5.547   4.155 -0.6714 -0.0447  0.1392
+  116LYS    HD1 1746   3.982   5.615   4.132 -0.5945 -0.2577 -0.2212
+  116LYS    HD2 1747   3.953   5.457   4.186  1.3587  0.5276 -1.5749
+  116LYS     CE 1748   3.812   5.608   4.263 -0.7594  0.2847 -0.1185
+  116LYS    HE1 1749   3.722   5.550   4.283 -0.3814  0.1348  1.2288
+  116LYS    HE2 1750   3.791   5.707   4.222  1.3773  0.4512 -0.8851
+  116LYS     NZ 1751   3.886   5.621   4.390 -0.2040  0.0839 -0.4208
+  116LYS    HZ1 1752   3.979   5.658   4.389  0.9036 -2.5510  0.6643
+  116LYS    HZ2 1753   3.831   5.678   4.453  0.5107 -0.5364  0.7985
+  116LYS    HZ3 1754   3.891   5.529   4.431 -0.2587  0.7908  1.1979
+  116LYS      C 1755   3.788   5.566   3.733  0.1994  0.2842 -0.4409
+  116LYS      O 1756   3.881   5.629   3.683  0.4140  0.4855  0.2054
+  117GLY      N 1757   3.666   5.619   3.724 -0.1130 -0.4160 -0.3214
+  117GLY      H 1758   3.595   5.570   3.777 -0.3072 -0.8629 -0.9905
+  117GLY     CA 1759   3.628   5.740   3.655  0.0274 -0.0720  0.1981
+  117GLY    HA1 1760   3.691   5.823   3.685 -1.5850  1.7859 -1.3708
+  117GLY    HA2 1761   3.526   5.769   3.681  0.9339  3.1882  0.3614
+  117GLY      C 1762   3.628   5.736   3.502  0.1030 -0.0478  0.1975
+  117GLY      O 1763   3.594   5.837   3.442  0.3583  0.0240  0.1713
+  118THR      N 1764   3.672   5.625   3.443  0.4391  0.3019 -0.2112
+  118THR      H 1765   3.717   5.551   3.494 -1.6805 -1.6364 -1.0343
+  118THR     CA 1766   3.666   5.613   3.299 -0.2151  0.0514 -0.1651
+  118THR     HA 1767   3.682   5.712   3.257 -0.6633 -0.7032 -2.1963
+  118THR     CB 1768   3.771   5.518   3.240  0.0837  0.3255 -0.0739
+  118THR     HB 1769   3.777   5.537   3.132 -0.0453  0.5588 -0.0413
+  118THR    CG2 1770   3.906   5.546   3.306  0.0781  0.3018 -0.0527
+  118THR   HG21 1771   3.971   5.463   3.279  0.3261  1.4973 -3.3182
+  118THR   HG22 1772   3.940   5.639   3.261 -0.2383  1.4357  1.9925
+  118THR   HG23 1773   3.903   5.550   3.415 -1.2683  0.4147 -0.0848
+  118THR    OG1 1774   3.750   5.381   3.262  0.3856  0.1342 -0.9323
+  118THR    HG1 1775   3.730   5.370   3.356 -0.1307  1.0858 -0.9260
+  118THR      C 1776   3.525   5.572   3.257 -0.2554  0.0845 -0.0619
+  118THR      O 1777   3.446   5.521   3.336 -0.1666 -0.3748 -0.2674
+  119ASP      N 1778   3.494   5.574   3.127  0.4595 -0.2398 -0.2399
+  119ASP      H 1779   3.563   5.606   3.060  0.9617 -0.1612  0.3134
+  119ASP     CA 1780   3.382   5.507   3.064  0.5463 -0.2687 -0.3670
+  119ASP     HA 1781   3.290   5.535   3.116 -0.1918 -2.6724 -0.3331
+  119ASP     CB 1782   3.352   5.552   2.921 -0.1486  0.0618 -0.1252
+  119ASP    HB1 1783   3.430   5.532   2.847 -0.4170  1.4803 -0.7972
+  119ASP    HB2 1784   3.343   5.660   2.931  0.8614  0.2408 -0.9481
+  119ASP     CG 1785   3.222   5.496   2.867 -0.1069 -0.2026  0.0441
+  119ASP    OD1 1786   3.141   5.442   2.946 -0.2076 -0.4210 -0.2044
+  119ASP    OD2 1787   3.206   5.500   2.743 -0.0056 -0.5659  0.0189
+  119ASP      C 1788   3.414   5.359   3.065 -0.2445 -0.4404 -0.2206
+  119ASP      O 1789   3.459   5.309   2.962  0.1769 -0.4396 -0.0377
+  120VAL      N 1790   3.388   5.288   3.176 -0.2183 -0.0222  0.0538
+  120VAL      H 1791   3.369   5.348   3.255 -2.4873  0.8675 -1.1113
+  120VAL     CA 1792   3.407   5.145   3.188  0.4582  0.0321 -0.3298
+  120VAL     HA 1793   3.498   5.128   3.132 -0.0620  0.3871 -1.3005
+  120VAL     CB 1794   3.419   5.094   3.331  0.2338  0.2570 -0.2281
+  120VAL     HB 1795   3.426   4.985   3.322  0.2981  0.1570  0.9470
+  120VAL    CG1 1796   3.548   5.132   3.405 -0.0218 -0.0091  0.3631
+  120VAL   HG11 1797   3.559   5.083   3.502  0.4555 -2.5546 -0.9208
+  120VAL   HG12 1798   3.638   5.111   3.348 -0.3865  0.2306 -0.3086
+  120VAL   HG13 1799   3.544   5.240   3.420  0.1507 -0.1372  1.3152
+  120VAL    CG2 1800   3.301   5.115   3.425 -0.2701  0.0319 -0.8099
+  120VAL   HG21 1801   3.211   5.080   3.375 -0.9592  1.0099 -0.2856
+  120VAL   HG22 1802   3.307   5.052   3.514 -1.4425 -0.0455 -0.7826
+  120VAL   HG23 1803   3.289   5.218   3.461  1.6006 -0.7223  2.1602
+  120VAL      C 1804   3.295   5.072   3.115  0.0860 -0.1006  0.3635
+  120VAL      O 1805   3.312   4.955   3.081  0.3690  0.0528 -0.0255
+  121GLN      N 1806   3.184   5.141   3.089  0.3522  0.3257  0.3451
+  121GLN      H 1807   3.182   5.239   3.112 -3.2361  0.6831 -1.1494
+  121GLN     CA 1808   3.080   5.089   3.003  0.4800  0.0854  0.3330
+  121GLN     HA 1809   3.050   5.003   3.062  2.7631 -1.5111 -0.7885
+  121GLN     CB 1810   2.956   5.179   2.998  0.3351 -0.1045  0.5210
+  121GLN    HB1 1811   2.946   5.232   2.903  0.1678  0.5963  0.9294
+  121GLN    HB2 1812   2.962   5.256   3.074  0.6571  0.8343 -0.4386
+  121GLN     CG 1813   2.829   5.098   3.026  0.1682 -0.1890 -0.4610
+  121GLN    HG1 1814   2.817   5.074   3.131  2.1426 -2.4459 -0.6861
+  121GLN    HG2 1815   2.834   4.995   2.992 -1.1516  0.1111 -1.5845
+  121GLN     CD 1816   2.699   5.161   2.977  0.0130 -0.2055 -0.0667
+  121GLN    OE1 1817   2.618   5.102   2.907 -0.0731  0.8485 -0.8570
+  121GLN    NE2 1818   2.654   5.278   3.021 -0.3779 -0.5135  0.3638
+  121GLN   HE21 1819   2.707   5.319   3.097 -0.0098  1.0669 -0.7207
+  121GLN   HE22 1820   2.572   5.320   2.980 -1.2386 -2.1188  0.4204
+  121GLN      C 1821   3.128   5.047   2.865  0.4787 -0.1812  0.4133
+  121GLN      O 1822   3.069   4.963   2.797  0.3146  0.4512 -0.2325
+  122ALA      N 1823   3.245   5.093   2.820  0.1074  0.1347 -0.2380
+  122ALA      H 1824   3.293   5.163   2.875 -1.3001 -0.4536  1.7685
+  122ALA     CA 1825   3.300   5.039   2.698  0.0133 -0.3032 -0.0847
+  122ALA     HA 1826   3.232   5.047   2.613 -0.2415 -0.2967  0.1228
+  122ALA     CB 1827   3.430   5.116   2.676 -0.2616  0.0480 -0.4704
+  122ALA    HB1 1828   3.477   5.066   2.591  1.3473  0.6570  0.0402
+  122ALA    HB2 1829   3.407   5.218   2.643 -0.9520  0.1227  0.2449
+  122ALA    HB3 1830   3.490   5.127   2.766  0.0186  1.3309 -0.7955
+  122ALA      C 1831   3.338   4.891   2.707  0.5933 -0.1845 -0.4937
+  122ALA      O 1832   3.318   4.813   2.615 -0.2802  0.0603 -0.5145
+  123TRP      N 1833   3.382   4.841   2.823 -0.2632 -0.0946 -0.1215
+  123TRP      H 1834   3.395   4.909   2.896 -3.4063  0.6943 -0.2164
+  123TRP     CA 1835   3.433   4.707   2.847  0.1479  0.0353 -0.2657
+  123TRP     HA 1836   3.502   4.696   2.763 -1.8401 -0.8420 -1.8351
+  123TRP     CB 1837   3.516   4.695   2.974 -0.2814  0.5803  0.0675
+  123TRP    HB1 1838   3.542   4.592   2.999 -1.7116 -0.3066 -1.9640
+  123TRP    HB2 1839   3.466   4.728   3.066 -0.7221 -0.6158  0.2722
+  123TRP     CG 1840   3.640   4.777   2.963  0.0993  0.0169  0.1036
+  123TRP    CD1 1841   3.649   4.910   2.983  0.2588  0.0769 -0.3566
+  123TRP    HD1 1842   3.572   4.978   3.018  1.2000 -0.0016  2.0181
+  123TRP    NE1 1843   3.779   4.950   2.956  0.4516 -0.2584  0.0632
+  123TRP    HE1 1844   3.807   5.045   2.975 -1.0197  0.3084 -0.4933
+  123TRP    CE2 1845   3.858   4.846   2.913  0.3360 -0.5026  0.4383
+  123TRP    CZ2 1846   3.991   4.848   2.870  0.5192  0.2062  1.0147
+  123TRP    HZ2 1847   4.052   4.936   2.878 -1.4645  1.6920  0.2186
+  123TRP    CH2 1848   4.038   4.734   2.802 -0.2300  0.6885 -0.3405
+  123TRP    HH2 1849   4.133   4.731   2.751 -0.6098 -1.4499 -0.9375
+  123TRP    CZ3 1850   3.952   4.625   2.785  0.2220  0.2252  0.3049
+  123TRP    HZ3 1851   3.981   4.542   2.723  1.4528  1.2013 -0.4623
+  123TRP    CE3 1852   3.821   4.629   2.833 -0.0573 -0.1213 -0.4265
+  123TRP    HE3 1853   3.759   4.543   2.812 -1.3165  0.8865 -0.8894
+  123TRP    CD2 1854   3.768   4.737   2.906 -0.3735  0.1704 -1.0794
+  123TRP      C 1855   3.337   4.592   2.818  0.1205  0.0202 -0.1181
+  123TRP      O 1856   3.389   4.485   2.787 -0.3063 -0.1676 -0.1862
+  124ILE      N 1857   3.205   4.607   2.816  0.0863 -0.2392  0.1293
+  124ILE      H 1858   3.160   4.697   2.832  2.8678  1.0398  0.9879
+  124ILE     CA 1859   3.113   4.499   2.788  0.1377 -0.1815 -0.2705
+  124ILE     HA 1860   3.170   4.411   2.757  1.2834  0.3941  0.1841
+  124ILE     CB 1861   3.025   4.466   2.908  0.1961  0.3475 -0.0812
+  124ILE     HB 1862   2.989   4.368   2.876 -1.5072  0.2120  2.1213
+  124ILE    CG2 1863   3.110   4.426   3.029  0.4025  0.0597 -0.3170
+  124ILE   HG21 1864   3.167   4.512   3.065 -1.8148  2.0952 -1.4385
+  124ILE   HG22 1865   3.042   4.395   3.109  1.8340 -0.9515  0.5300
+  124ILE   HG23 1866   3.177   4.347   2.997  1.8692  0.9320  0.5630
+  124ILE    CG1 1867   2.899   4.548   2.933 -0.2367 -0.4147  0.2560
+  124ILE   HG11 1868   2.835   4.531   2.847 -2.4951  0.2978  1.7618
+  124ILE   HG12 1869   2.921   4.654   2.923  1.2838 -0.7677 -0.2232
+  124ILE     CD 1870   2.814   4.542   3.059 -0.6857 -0.5836 -0.0531
+  124ILE    HD1 1871   2.767   4.444   3.066 -0.2447 -0.8001 -0.1128
+  124ILE    HD2 1872   2.875   4.570   3.145  0.9196  2.0042 -2.0020
+  124ILE    HD3 1873   2.735   4.616   3.046  0.2731  0.1971 -1.4639
+  124ILE      C 1874   3.033   4.530   2.662 -0.0868 -0.7374 -0.2656
+  124ILE      O 1875   2.931   4.470   2.627 -0.5916 -0.7414  1.1692
+  125ARG      N 1876   3.064   4.634   2.584 -0.8000 -0.3409 -0.0238
+  125ARG      H 1877   3.133   4.694   2.627 -1.4072 -1.6049  2.8329
+  125ARG     CA 1878   3.000   4.678   2.462 -0.2017  0.1015 -0.1788
+  125ARG     HA 1879   2.892   4.681   2.474 -0.0804 -0.7962  1.3076
+  125ARG     CB 1880   3.063   4.813   2.430 -0.1351  0.0055 -0.4614
+  125ARG    HB1 1881   3.172   4.806   2.436 -0.2157 -0.9237 -0.0964
+  125ARG    HB2 1882   3.043   4.888   2.507  3.5826  0.5310  0.0786
+  125ARG     CG 1883   3.007   4.875   2.303 -0.0138  0.2973 -0.3740
+  125ARG    HG1 1884   2.898   4.877   2.313  0.1323 -0.2219  1.5633
+  125ARG    HG2 1885   3.046   4.814   2.222  0.1024  0.5206 -0.4852
+  125ARG     CD 1886   3.040   5.021   2.274 -0.0666  0.3587 -0.1227
+  125ARG    HD1 1887   2.990   5.084   2.348 -1.4594  0.1291 -0.8435
+  125ARG    HD2 1888   2.988   5.065   2.189 -1.7791  0.1644  0.8002
+  125ARG     NE 1889   3.185   5.038   2.267 -0.0284  0.2360  0.3319
+  125ARG     HE 1890   3.214   5.111   2.330 -0.1274 -1.9231  2.9896
+  125ARG     CZ 1891   3.270   4.994   2.173  0.4846  0.3444  0.7462
+  125ARG    NH1 1892   3.230   4.904   2.082  0.5448  0.5556  0.5134
+  125ARG   HH11 1893   3.131   4.893   2.067  0.4410  1.6599  0.2675
+  125ARG   HH12 1894   3.297   4.847   2.033 -0.2336  1.3749 -1.5832
+  125ARG    NH2 1895   3.401   5.023   2.170  0.4658  0.3335 -0.1173
+  125ARG   HH21 1896   3.439   5.089   2.236 -1.3730 -0.6977  2.0503
+  125ARG   HH22 1897   3.460   4.974   2.105 -0.8898  2.4454 -3.0942
+  125ARG      C 1898   3.019   4.586   2.342  0.3892  0.1320 -0.1093
+  125ARG      O 1899   3.123   4.522   2.325 -0.0428 -0.5169 -0.3174
+  126GLY      N 1900   2.918   4.562   2.259 -0.0330 -0.3784  0.5400
+  126GLY      H 1901   2.831   4.607   2.286 -0.3623 -0.7071  0.0441
+  126GLY     CA 1902   2.915   4.464   2.152  0.2824  0.2072 -0.0101
+  126GLY    HA1 1903   3.014   4.458   2.109  0.7034  1.4753  0.7293
+  126GLY    HA2 1904   2.836   4.505   2.088 -0.2846 -1.4109 -0.3567
+  126GLY      C 1905   2.881   4.326   2.206  0.0021  0.3451  0.1747
+  126GLY      O 1906   2.852   4.239   2.124 -0.5179  0.1887  0.5239
+  127CYS      N 1907   2.876   4.296   2.336 -0.0297 -0.6418 -0.0516
+  127CYS      H 1908   2.908   4.361   2.406 -4.3965  0.9531  0.5801
+  127CYS     CA 1909   2.873   4.157   2.376 -0.3336 -0.6110  0.0304
+  127CYS     HA 1910   2.928   4.086   2.314  0.1801  0.6460 -0.9720
+  127CYS     CB 1911   2.947   4.152   2.509 -0.2488 -0.2047 -0.0022
+  127CYS    HB1 1912   2.934   4.055   2.556  2.1662 -0.9250 -0.7399
+  127CYS    HB2 1913   2.898   4.226   2.572  1.5383 -0.0013  1.2085
+  127CYS     SG 1914   3.124   4.193   2.514 -0.2797 -0.0998  0.2208
+  127CYS      C 1915   2.732   4.104   2.403 -0.3983 -0.3804  0.1431
+  127CYS      O 1916   2.653   4.181   2.458 -0.2383 -0.2479  0.1896
+  128ARG      N 1917   2.696   3.981   2.366  0.0657 -0.5422  0.2235
+  128ARG      H 1918   2.752   3.939   2.293  0.0607 -0.0683 -0.0518
+  128ARG     CA 1919   2.570   3.923   2.406  0.0378 -0.3720  0.3795
+  128ARG     HA 1920   2.492   3.998   2.392  1.1150  0.5917 -0.5442
+  128ARG     CB 1921   2.540   3.806   2.313 -0.1546 -0.0164 -0.0080
+  128ARG    HB1 1922   2.610   3.727   2.343  2.1703  0.9708 -2.5903
+  128ARG    HB2 1923   2.557   3.835   2.209 -1.2231 -0.8438 -0.4221
+  128ARG     CG 1924   2.406   3.735   2.331  0.1577 -0.5775  0.1299
+  128ARG    HG1 1925   2.322   3.797   2.361 -1.0906 -2.1304 -0.1036
+  128ARG    HG2 1926   2.420   3.661   2.410 -0.1547 -1.8979 -1.0296
+  128ARG     CD 1927   2.358   3.670   2.202 -0.0083  0.0618 -0.1303
+  128ARG    HD1 1928   2.343   3.752   2.132  1.7275  1.1536  0.7333
+  128ARG    HD2 1929   2.265   3.620   2.230  1.0070 -1.7522  0.0459
+  128ARG     NE 1930   2.453   3.573   2.148  0.6276  0.4912  0.2204
+  128ARG     HE 1931   2.474   3.499   2.213 -3.2408 -0.5246  0.4006
+  128ARG     CZ 1932   2.517   3.566   2.030 -0.0168 -0.1205 -0.0897
+  128ARG    NH1 1933   2.484   3.647   1.928 -0.1566 -0.5890 -0.4186
+  128ARG   HH11 1934   2.404   3.708   1.935 -1.4298 -2.0087 -2.1306
+  128ARG   HH12 1935   2.539   3.641   1.843 -1.3525 -0.5320 -1.1992
+  128ARG    NH2 1936   2.614   3.477   2.009 -0.0408 -0.1658 -0.0094
+  128ARG   HH21 1937   2.648   3.408   2.074 -0.7045 -0.6544 -0.1673
+  128ARG   HH22 1938   2.663   3.468   1.921  0.2309 -1.6731  0.2690
+  128ARG      C 1939   2.567   3.893   2.556  0.8554  0.4821  0.5715
+  128ARG      O 1940   2.650   3.812   2.595  0.6034 -0.0639  0.0054
+  129LEU      N 1941   2.466   3.945   2.626 -0.0021 -0.2581 -0.1044
+  129LEU      H 1942   2.391   3.999   2.586 -0.4913 -1.1157 -0.3704
+  129LEU     CA 1943   2.459   3.943   2.771 -0.2470 -0.0595 -0.1133
+  129LEU     HA 1944   2.511   3.856   2.811  0.4774 -0.2485 -1.4511
+  129LEU     CB 1945   2.520   4.069   2.832 -0.3996 -0.0965  0.1167
+  129LEU    HB1 1946   2.485   4.078   2.935 -1.2530 -0.2444 -0.1537
+  129LEU    HB2 1947   2.482   4.159   2.784  1.6758 -0.8629 -3.1775
+  129LEU     CG 1948   2.672   4.063   2.842 -0.4238  0.2297  0.6604
+  129LEU     HG 1949   2.717   4.056   2.744  0.2708 -2.7824  1.1236
+  129LEU    CD1 1950   2.733   4.180   2.918  0.3824  0.1599  0.1164
+  129LEU   HD11 1951   2.841   4.168   2.933  0.0942 -0.1883  2.0080
+  129LEU   HD12 1952   2.702   4.271   2.866  0.5645  0.5533  0.6903
+  129LEU   HD13 1953   2.683   4.179   3.015 -2.2026  1.5447 -1.1488
+  129LEU    CD2 1954   2.718   3.944   2.927  0.4338  0.5741  0.6788
+  129LEU   HD21 1955   2.698   3.847   2.882 -0.2556  0.8448  0.3988
+  129LEU   HD22 1956   2.827   3.944   2.933  0.5346 -0.8029 -0.9298
+  129LEU   HD23 1957   2.674   3.948   3.027  0.9975  2.5212  0.8821
+  129LEU      C 1958   2.315   3.917   2.816 -0.1288 -0.2921  0.1327
+  129LEU    OC1 1959   2.296   3.893   2.937  0.1336 -0.3746  0.1584
+  129LEU    OC2 1960   2.224   3.932   2.732  0.0977 -0.0268 -0.0671
+  130SOL     OW 1961   5.764   6.090   6.883  0.2978  0.3097  0.0559
+  130SOL    HW1 1962   5.791   6.016   6.936  0.5118 -0.4600 -1.1134
+  130SOL    HW2 1963   5.809   6.165   6.922  0.8788 -0.3248  0.6175
+  131SOL     OW 1964   4.541   2.583   1.602  0.1782 -0.2038 -0.0177
+  131SOL    HW1 1965   4.550   2.629   1.685 -0.1218  0.2041 -0.2100
+  131SOL    HW2 1966   4.630   2.555   1.580  0.1379 -0.9925  0.8283
+  132SOL     OW 1967   3.969   4.429   1.012 -0.3293 -0.6067  0.0290
+  132SOL    HW1 1968   3.947   4.348   1.059  0.1417  0.0898  1.4530
+  132SOL    HW2 1969   3.889   4.452   0.966 -1.1845 -0.6098  1.4882
+  133SOL     OW 1970   3.942   3.217   5.727  0.0629  0.1580  0.2929
+  133SOL    HW1 1971   3.865   3.172   5.691 -0.1132 -0.2557  1.1727
+  133SOL    HW2 1972   4.011   3.151   5.727  0.4592  0.5592 -0.5938
+  134SOL     OW 1973   4.997   3.226   2.609  0.7672  0.4019 -0.4696
+  134SOL    HW1 1974   5.011   3.132   2.599  1.5280  0.6503 -1.8296
+  134SOL    HW2 1975   5.082   3.260   2.639  0.8503  0.8129 -1.1515
+  135SOL     OW 1976   1.355   3.461   2.190 -0.0802  0.3916 -0.2316
+  135SOL    HW1 1977   1.379   3.385   2.243  1.0621  0.6228 -0.4041
+  135SOL    HW2 1978   1.426   3.469   2.126 -1.7356 -0.2518 -2.1887
+  136SOL     OW 1979   3.337   4.774   1.133 -1.0775  0.1435  0.3790
+  136SOL    HW1 1980   3.410   4.799   1.189 -0.3965  2.2243 -1.3538
+  136SOL    HW2 1981   3.287   4.855   1.122 -2.9427 -0.9618  0.4940
+  137SOL     OW 1982   4.600   4.196   2.289  0.1309 -0.3069  0.2994
+  137SOL    HW1 1983   4.635   4.174   2.375  0.9942  0.0587  0.0486
+  137SOL    HW2 1984   4.669   4.247   2.247 -1.4710  2.1754  0.5494
+  138SOL     OW 1985   4.205   4.729   2.086 -0.0844  0.5184 -0.5521
+  138SOL    HW1 1986   4.231   4.682   2.007  0.0436  1.0417 -0.8192
+  138SOL    HW2 1987   4.129   4.780   2.061  0.1086  0.8832 -0.4070
+  139SOL     OW 1988   2.724   4.070   1.754 -0.3239  0.2169 -0.1593
+  139SOL    HW1 1989   2.707   4.028   1.670  0.3537  1.3955 -0.9018
+  139SOL    HW2 1990   2.638   4.096   1.787 -0.6176 -0.5403 -0.3312
+  140SOL     OW 1991   3.987   4.310   2.476  0.0405  0.4029 -0.3361
+  140SOL    HW1 1992   3.987   4.225   2.433 -0.8382  0.4364 -0.4166
+  140SOL    HW2 1993   3.958   4.371   2.408  0.3099  0.7149 -0.1748
+  141SOL     OW 1994   3.724   4.702   2.211  0.0820 -0.3881  0.1903
+  141SOL    HW1 1995   3.698   4.788   2.244  1.8100 -0.0683  0.7499
+  141SOL    HW2 1996   3.669   4.640   2.259  1.4909  0.1709  2.5534
+  142SOL     OW 1997   4.262   2.964   2.036  0.1349  0.2802  0.6373
+  142SOL    HW1 1998   4.309   3.044   2.013 -2.1054  2.1047  2.2005
+  142SOL    HW2 1999   4.326   2.894   2.020  2.4828  2.4236  0.2220
+  143SOL     OW 2000   5.542   5.090   1.144  0.2193  0.0712  0.3954
+  143SOL    HW1 2001   5.576   5.100   1.232  1.4636  0.7355 -0.1486
+  143SOL    HW2 2002   5.618   5.067   1.090 -0.1123  1.6920 -0.8471
+  144SOL     OW 2003   2.297   4.131   2.458 -0.1329  0.4825  0.0247
+  144SOL    HW1 2004   2.310   4.199   2.392 -0.7484  0.4153 -0.1691
+  144SOL    HW2 2005   2.272   4.053   2.408 -0.6396  0.4413  0.3341
+  145SOL     OW 2006   2.376   2.953   2.264  0.4381 -0.5043 -0.9065
+  145SOL    HW1 2007   2.411   2.978   2.349  1.8414 -0.4253 -1.5037
+  145SOL    HW2 2008   2.385   2.857   2.262  0.2592 -0.5225 -0.9116
+  146SOL     OW 2009   4.665   4.485   1.618  0.1417 -0.4459  0.0534
+  146SOL    HW1 2010   4.658   4.542   1.542 -1.3114  1.0907  1.3097
+  146SOL    HW2 2011   4.575   4.464   1.642  0.5793 -1.0326  1.2653
+  147SOL     OW 2012   4.178   5.225   2.301  0.6461 -0.4778  0.3784
+  147SOL    HW1 2013   4.155   5.318   2.302  1.2414 -0.3108  3.6368
+  147SOL    HW2 2014   4.137   5.189   2.380  1.4056 -2.7486 -0.2142
+  148SOL     OW 2015   4.311   2.261   2.428  0.0616 -0.4054  0.2033
+  148SOL    HW1 2016   4.366   2.230   2.500 -1.6022 -1.5271  1.0209
+  148SOL    HW2 2017   4.222   2.255   2.462 -0.7412 -0.8542 -1.9251
+  149SOL     OW 2018   5.577   4.108   1.668  0.3696  0.4632 -0.2864
+  149SOL    HW1 2019   5.508   4.165   1.634  0.3162  0.2130 -0.5976
+  149SOL    HW2 2020   5.535   4.062   1.741 -0.5299 -1.4545 -1.9653
+  150SOL     OW 2021   3.623   5.591   2.659 -0.5823 -0.3946  0.5129
+  150SOL    HW1 2022   3.689   5.587   2.728  0.8269 -1.0534 -0.8364
+  150SOL    HW2 2023   3.625   5.681   2.628 -0.5592 -0.3207  0.7324
+  151SOL     OW 2024   4.561   5.807   1.784 -0.2486  0.4416 -0.0771
+  151SOL    HW1 2025   4.632   5.796   1.720  0.1011 -0.3746  0.4387
+  151SOL    HW2 2026   4.570   5.896   1.816  0.8246  0.1924  0.3157
+  152SOL     OW 2027   5.618   3.690   3.484  0.2939 -0.1418  0.3624
+  152SOL    HW1 2028   5.634   3.621   3.548  0.8296  0.3312  0.7340
+  152SOL    HW2 2029   5.671   3.763   3.513 -0.4459  0.5113  0.0862
+  153SOL     OW 2030   6.517   4.226   2.610  0.0958  0.4197 -0.2399
+  153SOL    HW1 2031   6.500   4.150   2.553  0.8689 -0.9261  1.2666
+  153SOL    HW2 2032   6.558   4.291   2.553 -1.5974  0.1446 -1.8166
+  154SOL     OW 2033   4.113   5.473   2.337 -0.1316 -0.8417 -0.2526
+  154SOL    HW1 2034   4.097   5.564   2.362  0.9840 -1.0772  1.3576
+  154SOL    HW2 2035   4.074   5.466   2.250  2.1391  1.9022 -1.5820
+  155SOL     OW 2036   3.388   4.176   2.119  0.1728  0.6841  0.0267
+  155SOL    HW1 2037   3.409   4.163   2.026 -0.3423  2.8979 -0.4080
+  155SOL    HW2 2038   3.292   4.176   2.122  0.1785 -0.5219  0.7501
+  156SOL     OW 2039   4.659   5.496   1.504  0.2700  0.0926 -0.0955
+  156SOL    HW1 2040   4.680   5.451   1.422  0.5321 -0.7174  0.4136
+  156SOL    HW2 2041   4.698   5.442   1.572  0.7351  1.1821  0.5149
+  157SOL     OW 2042   3.421   3.497   2.276 -0.1280  0.0392  0.1702
+  157SOL    HW1 2043   3.408   3.407   2.307 -1.5434  0.5019  0.9435
+  157SOL    HW2 2044   3.372   3.501   2.194  1.6267 -0.4714 -0.9461
+  158SOL     OW 2045   3.662   7.327   3.501  0.1078  0.3440 -0.0444
+  158SOL    HW1 2046   3.594   7.261   3.517 -1.5245  2.4483  1.9625
+  158SOL    HW2 2047   3.674   7.326   3.406 -0.7259 -2.0040 -0.1556
+  159SOL     OW 2048   4.656   3.060   3.046 -0.4361  0.3963 -0.0790
+  159SOL    HW1 2049   4.657   3.147   3.087  1.0246 -0.3547  1.5422
+  159SOL    HW2 2050   4.712   3.069   2.969 -0.5959  0.9861 -0.1298
+  160SOL     OW 2051   3.613   6.213   3.406 -0.4306 -0.1971 -0.3558
+  160SOL    HW1 2052   3.635   6.297   3.446 -0.3691 -0.0731 -0.6548
+  160SOL    HW2 2053   3.698   6.170   3.392 -0.5359 -1.0442  1.4008
+  161SOL     OW 2054   3.952   5.228   3.151  0.0358 -0.0797  0.1727
+  161SOL    HW1 2055   3.997   5.262   3.229  1.2337 -0.4297 -0.3731
+  161SOL    HW2 2056   3.862   5.261   3.161  0.7317  1.7791  0.5635
+  162SOL     OW 2057   4.066   5.620   2.610  0.3418 -0.3560  0.2295
+  162SOL    HW1 2058   4.132   5.552   2.622 -0.2368 -0.7721  1.0622
+  162SOL    HW2 2059   4.111   5.701   2.635  0.6582 -0.5872  0.4107
+  163SOL     OW 2060   3.548   2.182   4.523  0.5435  0.2347 -0.0436
+  163SOL    HW1 2061   3.632   2.181   4.477  1.7048 -0.9390  2.0410
+  163SOL    HW2 2062   3.532   2.089   4.543  0.5370  0.8082  2.7297
+  164SOL     OW 2063   5.493   3.248   3.545  0.5518  0.2299 -0.1045
+  164SOL    HW1 2064   5.409   3.268   3.586  0.7133 -1.1322  0.9461
+  164SOL    HW2 2065   5.471   3.188   3.473  0.7337 -1.2473  1.0389
+  165SOL     OW 2066   5.328   4.085   2.215  0.1485 -0.4593 -0.3871
+  165SOL    HW1 2067   5.304   4.068   2.306  1.0526 -0.3259 -0.1134
+  165SOL    HW2 2068   5.341   3.998   2.177  0.5325 -0.4957 -0.1742
+  166SOL     OW 2069   2.004   3.794   2.922 -0.6132 -0.2503 -0.1136
+  166SOL    HW1 2070   2.072   3.851   2.885 -0.3973 -0.7975 -0.5675
+  166SOL    HW2 2071   1.922   3.836   2.898 -0.4458  0.1557  0.0124
+  167SOL     OW 2072   3.540   6.851   4.501  0.1539 -0.0947 -0.1952
+  167SOL    HW1 2073   3.453   6.814   4.488  0.5978 -0.2801 -2.9003
+  167SOL    HW2 2074   3.599   6.788   4.459  1.1907  2.0997 -2.1424
+  168SOL     OW 2075   1.955   3.006   2.588 -0.1847  0.5652 -0.3748
+  168SOL    HW1 2076   2.038   3.032   2.547  0.2884 -1.2701 -0.5984
+  168SOL    HW2 2077   1.909   2.956   2.521 -0.2975 -0.7221  0.6493
+  169SOL     OW 2078   5.920   4.064   3.929  0.4605 -0.6969 -0.1400
+  169SOL    HW1 2079   5.960   4.146   3.958  0.2953 -0.3755 -0.8237
+  169SOL    HW2 2080   5.930   4.064   3.834  0.4034 -1.4428 -0.1539
+  170SOL     OW 2081   2.968   4.867   3.296  0.2349 -0.1325  0.3635
+  170SOL    HW1 2082   2.978   4.955   3.334 -0.9877 -0.0714  0.5660
+  170SOL    HW2 2083   2.873   4.858   3.282  0.5837 -0.4930 -1.8974
+  171SOL     OW 2084   3.161   5.209   4.113  0.2981 -0.0486 -0.1976
+  171SOL    HW1 2085   3.216   5.281   4.145  0.6710 -0.2419 -0.3993
+  171SOL    HW2 2086   3.150   5.228   4.019 -2.3523  1.5461  0.3861
+  172SOL     OW 2087   3.316   2.721   2.652  0.7432  0.1400 -0.6537
+  172SOL    HW1 2088   3.341   2.632   2.627  2.1049  0.5240 -0.6629
+  172SOL    HW2 2089   3.323   2.721   2.748  0.2562  0.1059 -0.6131
+  173SOL     OW 2090   3.578   6.851   4.805  0.1694  0.1721  0.4568
+  173SOL    HW1 2091   3.538   6.818   4.724 -3.1193 -0.8789  2.4409
+  173SOL    HW2 2092   3.655   6.795   4.818 -0.6441 -1.2259 -0.6594
+  174SOL     OW 2093   2.368   4.751   5.281 -0.2492  0.0540 -0.0489
+  174SOL    HW1 2094   2.441   4.774   5.338 -0.6033 -0.1482  0.4976
+  174SOL    HW2 2095   2.387   4.661   5.252  0.2117  0.3582 -0.7059
+  175SOL     OW 2096   5.203   4.783   3.308  0.0629  0.1515 -0.0201
+  175SOL    HW1 2097   5.168   4.870   3.327 -0.4316  0.0729 -0.5438
+  175SOL    HW2 2098   5.149   4.724   3.361  0.8776  0.2233  0.9007
+  176SOL     OW 2099   4.004   2.238   3.205  0.1200  0.0222 -0.3865
+  176SOL    HW1 2100   4.029   2.166   3.263  0.9890 -0.3471 -1.2037
+  176SOL    HW2 2101   3.915   2.217   3.177 -0.5840  0.5974  1.4159
+  177SOL     OW 2102   4.437   2.806   3.392  0.3847 -0.0727 -0.2512
+  177SOL    HW1 2103   4.428   2.716   3.360 -0.9964  0.2743 -0.8680
+  177SOL    HW2 2104   4.428   2.799   3.487 -0.4580 -0.4895 -0.3639
+  178SOL     OW 2105   4.038   0.297   4.243 -0.0473  0.0694 -0.8180
+  178SOL    HW1 2106   3.953   0.326   4.277  1.3899  0.8288  2.3026
+  178SOL    HW2 2107   4.046   0.207   4.273  0.2607  0.0164 -1.0655
+  179SOL     OW 2108   3.079   3.076   3.337 -0.4529 -0.2935  0.2433
+  179SOL    HW1 2109   3.063   3.104   3.246 -0.3936  1.7069  0.8153
+  179SOL    HW2 2110   3.168   3.041   3.335 -1.0536 -1.7966 -0.8025
+  180SOL     OW 2111   4.833   4.880   3.501 -0.1863 -0.2405 -0.0289
+  180SOL    HW1 2112   4.846   4.941   3.573  0.5683 -0.0893 -0.2926
+  180SOL    HW2 2113   4.779   4.810   3.538  0.6501 -0.4425  0.8272
+  181SOL     OW 2114   2.400   2.708   3.828  0.4263 -0.2558  0.2773
+  181SOL    HW1 2115   2.452   2.635   3.793 -0.7418 -1.2597  0.5855
+  181SOL    HW2 2116   2.419   2.708   3.922  0.2389 -0.3211  0.3156
+  182SOL     OW 2117   3.728   2.084   2.948  0.7737  0.2300  0.1705
+  182SOL    HW1 2118   3.747   2.144   3.020 -0.5510 -0.9524  1.5276
+  182SOL    HW2 2119   3.791   2.013   2.960 -1.5270 -1.5764  2.1457
+  183SOL     OW 2120   4.635   3.936   2.449  0.5221  0.5503  0.1102
+  183SOL    HW1 2121   4.724   3.947   2.481  0.1694 -1.2302  1.7973
+  183SOL    HW2 2122   4.641   3.870   2.380  0.6272  1.0049 -0.3131
+  184SOL     OW 2123   2.068   2.966   3.424 -0.7064  0.3881 -0.0369
+  184SOL    HW1 2124   2.157   2.939   3.447 -0.9679  0.6798  1.3525
+  184SOL    HW2 2125   2.040   3.021   3.496 -2.3114 -0.3248 -0.0807
+  185SOL     OW 2126   5.926   2.788   3.724 -0.0273  0.1369 -0.4259
+  185SOL    HW1 2127   5.942   2.873   3.766 -0.0094  0.3756 -0.9135
+  185SOL    HW2 2128   5.979   2.790   3.645  0.6429 -0.6793 -0.0080
+  186SOL     OW 2129   3.468   6.846   3.900 -0.1852 -0.8870  0.5225
+  186SOL    HW1 2130   3.528   6.877   3.832  0.2495 -0.1940  1.2110
+  186SOL    HW2 2131   3.424   6.925   3.931 -0.2955 -1.1822  1.1303
+  187SOL     OW 2132   3.856   1.515   2.875 -0.5262  0.0166  0.3536
+  187SOL    HW1 2133   3.818   1.486   2.791  0.5194 -1.6373  0.4280
+  187SOL    HW2 2134   3.780   1.535   2.929 -1.2257  0.6596 -0.8376
+  188SOL     OW 2135   4.482   6.636   3.138 -0.5354  0.2558 -0.7629
+  188SOL    HW1 2136   4.455   6.574   3.206 -1.5490 -0.7300 -2.0382
+  188SOL    HW2 2137   4.566   6.601   3.106 -0.4612  0.2653 -0.5754
+  189SOL     OW 2138   4.147   6.527   4.038 -0.4666  0.0917 -0.2693
+  189SOL    HW1 2139   4.187   6.443   4.014 -0.2935  0.3352 -0.8514
+  189SOL    HW2 2140   4.221   6.583   4.061 -0.5720  0.1259 -0.0181
+  190SOL     OW 2141   3.863   6.480   4.374 -0.3583  0.1341  0.3839
+  190SOL    HW1 2142   3.822   6.560   4.406  0.6500  0.4231  0.9864
+  190SOL    HW2 2143   3.957   6.500   4.373 -0.0512 -1.2166  1.0506
+  191SOL     OW 2144   4.065   2.257   1.931 -0.2487 -0.0617 -0.5286
+  191SOL    HW1 2145   4.120   2.202   1.875  0.6556  0.4736 -0.1801
+  191SOL    HW2 2146   4.118   2.271   2.010 -0.8741  0.4848 -0.2017
+  192SOL     OW 2147   0.258   5.765   3.547 -0.4321 -0.3105  0.1585
+  192SOL    HW1 2148   0.307   5.804   3.475 -0.2557 -1.6154 -0.4399
+  192SOL    HW2 2149   0.238   5.676   3.518 -0.9890 -0.6211  1.4244
+  193SOL     OW 2150   5.417   4.861   3.090  0.1830 -0.1910 -0.0622
+  193SOL    HW1 2151   5.490   4.865   3.152 -0.0470 -1.4132  0.3149
+  193SOL    HW2 2152   5.339   4.852   3.146 -0.2764  1.2728 -0.4563
+  194SOL     OW 2153   3.495   5.679   4.058  0.0010 -0.2986  0.0088
+  194SOL    HW1 2154   3.421   5.739   4.066 -0.2102 -0.5604 -0.0237
+  194SOL    HW2 2155   3.571   5.737   4.051 -0.4045  0.0182 -2.3464
+  195SOL     OW 2156   3.586   5.589   4.794  0.6457  0.1248 -0.1282
+  195SOL    HW1 2157   3.586   5.497   4.817  1.9009  0.5810  1.7722
+  195SOL    HW2 2158   3.495   5.617   4.809  1.2094  0.2248  3.7514
+  196SOL     OW 2159   1.955   2.791   3.739 -0.0716 -0.1573  0.1273
+  196SOL    HW1 2160   1.931   2.738   3.663  0.8684 -1.8057  0.9527
+  196SOL    HW2 2161   1.995   2.869   3.702  1.1517 -1.3253 -1.0829
+  197SOL     OW 2162   4.026   3.168   3.793 -0.0411 -0.1618 -0.4628
+  197SOL    HW1 2163   4.048   3.095   3.735 -0.1460 -1.8501  1.5559
+  197SOL    HW2 2164   3.959   3.132   3.852 -1.0262  1.9572 -0.2433
+  198SOL     OW 2165   3.722   6.714   4.333  0.2519  0.5452  0.4262
+  198SOL    HW1 2166   3.702   6.637   4.279 -2.6917  2.2841 -1.0672
+  198SOL    HW2 2167   3.753   6.779   4.270 -0.7974  1.7776  1.1695
+  199SOL     OW 2168   4.851   4.461   3.833 -0.0594  0.4124 -0.1691
+  199SOL    HW1 2169   4.888   4.502   3.911  2.5005 -0.6920 -0.7568
+  199SOL    HW2 2170   4.769   4.421   3.863  0.9628 -0.1142  1.9847
+  200SOL     OW 2171   4.243   3.305   3.746 -0.2609 -0.6359 -0.7953
+  200SOL    HW1 2172   4.157   3.265   3.758 -0.1704 -0.6707 -0.2092
+  200SOL    HW2 2173   4.295   3.271   3.820  0.7269 -1.8797 -2.0356
+  201SOL     OW 2174   5.455   4.605   2.844  0.1202 -0.0531 -0.8161
+  201SOL    HW1 2175   5.483   4.576   2.757  0.6299 -0.6563 -0.4569
+  201SOL    HW2 2176   5.516   4.675   2.867  3.1186 -3.1335  1.0864
+  202SOL     OW 2177   5.360   3.530   3.523  0.1509  0.0156  0.0344
+  202SOL    HW1 2178   5.351   3.519   3.618 -1.4452  1.1793  0.0509
+  202SOL    HW2 2179   5.450   3.560   3.510  0.1504  0.5768  1.2614
+  203SOL     OW 2180   5.651   3.958   3.955  0.3601  0.1420  0.2432
+  203SOL    HW1 2181   5.715   4.027   3.974  0.7773  0.0280 -0.7191
+  203SOL    HW2 2182   5.653   3.950   3.860 -1.2009  0.2358  0.1977
+  204SOL     OW 2183   5.284   2.173   3.558  0.7228  0.2167 -0.3962
+  204SOL    HW1 2184   5.215   2.147   3.619 -0.2488 -0.9529 -1.9833
+  204SOL    HW2 2185   5.245   2.165   3.472  1.6205  3.2828 -1.1469
+  205SOL     OW 2186   5.139   0.460   3.996 -0.1781  0.0435  0.2281
+  205SOL    HW1 2187   5.197   0.394   4.033  0.3308  0.6615  0.5534
+  205SOL    HW2 2188   5.068   0.469   4.060  0.6409  1.0296  1.0197
+  206SOL     OW 2189   2.912   3.440   4.520 -0.1263  0.3541  0.6118
+  206SOL    HW1 2190   2.833   3.388   4.536  0.4889 -0.1540  2.1185
+  206SOL    HW2 2191   2.957   3.442   4.604  1.0425  1.3774 -0.0098
+  207SOL     OW 2192   0.874   2.714   3.190  0.2379 -0.1199 -0.2590
+  207SOL    HW1 2193   0.815   2.761   3.249 -0.3408 -0.4287 -0.5914
+  207SOL    HW2 2194   0.820   2.690   3.115 -0.5166 -4.6117  1.5345
+  208SOL     OW 2195   5.061   4.202   3.947 -0.0635 -0.0982  0.0664
+  208SOL    HW1 2196   5.022   4.125   3.905  1.1469 -0.4827 -0.3620
+  208SOL    HW2 2197   5.079   4.262   3.874 -1.4363  0.8073  0.4420
+  209SOL     OW 2198   4.683   6.189   3.073  0.4943 -0.3233  0.2110
+  209SOL    HW1 2199   4.693   6.111   3.018 -0.2922  1.1257 -2.0542
+  209SOL    HW2 2200   4.773   6.214   3.095  0.8226 -0.8254 -0.5362
+  210SOL     OW 2201   3.364   2.898   3.534 -0.0089  0.1372  0.5592
+  210SOL    HW1 2202   3.387   2.893   3.627  1.3845  1.5928  0.3002
+  210SOL    HW2 2203   3.343   2.808   3.510  2.3337 -0.7169  1.5886
+  211SOL     OW 2204   3.941   3.065   4.056  0.0498 -0.4371 -0.0718
+  211SOL    HW1 2205   4.004   2.993   4.064 -1.8908 -2.0542  1.2175
+  211SOL    HW2 2206   3.856   3.022   4.064 -1.2528  1.6257 -2.3775
+  212SOL     OW 2207   3.737   2.843   4.052  0.1111 -0.3114  0.0729
+  212SOL    HW1 2208   3.732   2.747   4.049  1.6854 -0.3819 -0.5791
+  212SOL    HW2 2209   3.765   2.868   3.964  0.3609  0.7148  0.4417
+  213SOL     OW 2210   4.871   4.366   4.131 -0.4792  0.1887  0.0369
+  213SOL    HW1 2211   4.789   4.356   4.083  0.3045  0.1653 -1.3387
+  213SOL    HW2 2212   4.902   4.277   4.145 -0.9181  0.1790  0.9795
+  214SOL     OW 2213   4.230   3.609   4.070  0.4705 -0.0331 -0.3875
+  214SOL    HW1 2214   4.324   3.597   4.085  0.4317  1.0613  0.7727
+  214SOL    HW2 2215   4.191   3.524   4.089  0.9469  0.1627  1.4987
+  215SOL     OW 2216   4.883   4.715   3.741  0.1176 -0.1158  0.5782
+  215SOL    HW1 2217   4.871   4.626   3.775 -1.0804 -1.1162 -2.2850
+  215SOL    HW2 2218   4.895   4.769   3.819 -0.8547 -2.5321  2.4724
+  216SOL     OW 2219   2.973   2.551   2.804  0.2362  0.0403 -0.0784
+  216SOL    HW1 2220   3.051   2.600   2.778 -0.6659 -0.1892 -3.5386
+  216SOL    HW2 2221   2.900   2.602   2.767 -1.1028 -0.9279  1.1796
+  217SOL     OW 2222   1.985   3.604   5.083  0.2443 -0.0340 -0.4860
+  217SOL    HW1 2223   2.076   3.635   5.075 -0.2453  1.0803 -1.9263
+  217SOL    HW2 2224   1.937   3.681   5.115 -0.4383 -0.1989 -1.1163
+  218SOL     OW 2225   1.644   3.349   4.296  0.1633 -0.0043  0.1618
+  218SOL    HW1 2226   1.649   3.290   4.370 -0.2910  1.1248  1.1112
+  218SOL    HW2 2227   1.596   3.300   4.229 -0.8430 -0.4605  1.1944
+  219SOL     OW 2228   0.651   2.709   3.665  1.3736  0.6551 -0.5281
+  219SOL    HW1 2229   0.725   2.672   3.713  0.8081 -0.7470 -0.7243
+  219SOL    HW2 2230   0.575   2.690   3.719  0.8369 -0.1904 -1.5694
+  220SOL     OW 2231   5.157   4.294   4.188  0.0910 -0.0283 -0.1111
+  220SOL    HW1 2232   5.087   4.251   4.237 -0.7125 -0.1906 -1.3687
+  220SOL    HW2 2233   5.145   4.263   4.098  2.0132 -0.3463 -0.2753
+  221SOL     OW 2234   6.143   5.321   3.579 -0.1452 -0.2791 -0.0745
+  221SOL    HW1 2235   6.183   5.408   3.586  0.4148 -0.4854 -0.6778
+  221SOL    HW2 2236   6.057   5.331   3.620 -0.0899  0.5625 -0.1563
+  222SOL     OW 2237   4.587   4.481   4.255  0.3198  1.1788 -0.2360
+  222SOL    HW1 2238   4.584   4.481   4.159  1.2550 -0.3073 -0.2830
+  222SOL    HW2 2239   4.667   4.432   4.276 -0.4075  0.6449  1.3245
+  223SOL     OW 2240   1.669   3.530   4.584 -0.1205 -0.5927  0.9186
+  223SOL    HW1 2241   1.682   3.501   4.674 -1.6684  0.5929  1.5377
+  223SOL    HW2 2242   1.580   3.504   4.563  0.4056 -1.3519 -0.4855
+  224SOL     OW 2243   1.764   3.220   4.833 -0.0557  0.0561  0.1131
+  224SOL    HW1 2244   1.812   3.141   4.808 -0.5203  0.1156 -1.0149
+  224SOL    HW2 2245   1.709   3.239   4.757 -1.7572  0.0789  1.3144
+  225SOL     OW 2246   4.489   4.134   4.651 -0.4229  0.0541 -0.3083
+  225SOL    HW1 2247   4.568   4.185   4.666 -0.5041  0.2480 -0.5241
+  225SOL    HW2 2248   4.429   4.195   4.607 -0.4786 -0.2576 -0.6746
+  226SOL     OW 2249   2.837   4.183   5.078 -0.1521 -0.5505 -0.6479
+  226SOL    HW1 2250   2.749   4.169   5.113  0.0869  0.1229  0.2421
+  226SOL    HW2 2251   2.876   4.095   5.076 -0.2124 -0.6097  0.6628
+  227SOL     OW 2252   3.432   7.501   3.932  0.1093 -0.6691  0.1664
+  227SOL    HW1 2253   3.447   7.572   3.870 -0.3807  0.9424  1.8409
+  227SOL    HW2 2254   3.343   7.471   3.915 -0.1605  0.0267  0.3200
+  228SOL     OW 2255   1.960   5.728   3.823 -0.5826 -0.7474  0.0301
+  228SOL    HW1 2256   2.002   5.673   3.757 -1.2406 -1.4394  0.1818
+  228SOL    HW2 2257   1.974   5.682   3.906  0.9648  0.5401  0.4958
+  229SOL     OW 2258   7.237   5.105   3.579 -0.4523 -0.5229 -0.7229
+  229SOL    HW1 2259   7.221   5.010   3.580 -0.8658 -0.4599 -1.1994
+  229SOL    HW2 2260   7.325   5.114   3.541 -0.5063 -0.7050 -0.8948
+  230SOL     OW 2261   5.492   3.447   4.807 -0.3099  0.2564  0.3347
+  230SOL    HW1 2262   5.533   3.504   4.871  0.4695 -0.6633  0.6570
+  230SOL    HW2 2263   5.408   3.422   4.846  0.2116 -0.3927  1.0512
+  231SOL     OW 2264   5.717   4.991   4.233 -0.1277 -0.5143 -0.2732
+  231SOL    HW1 2265   5.668   4.955   4.159 -0.5904 -0.2774 -0.0860
+  231SOL    HW2 2266   5.667   4.962   4.310 -1.2489  1.6151 -0.1582
+  232SOL     OW 2267   5.385   5.580   4.028 -0.2552 -0.2320 -0.2221
+  232SOL    HW1 2268   5.421   5.517   4.089  0.8124 -0.2786 -0.8935
+  232SOL    HW2 2269   5.310   5.535   3.988 -0.1961 -0.6462  0.1293
+  233SOL     OW 2270   5.606   6.285   4.229  0.3355 -0.5134  0.2966
+  233SOL    HW1 2271   5.590   6.199   4.189  0.4610  0.1831 -1.2714
+  233SOL    HW2 2272   5.694   6.308   4.202 -0.5287  1.1246 -1.1720
+  234SOL     OW 2273   2.594   3.150   4.920  0.4046 -0.0821  0.1474
+  234SOL    HW1 2274   2.584   3.059   4.894 -3.1474  0.3211 -0.1466
+  234SOL    HW2 2275   2.603   3.147   5.015  0.2702 -0.7463  0.1411
+  235SOL     OW 2276   7.509   3.440   5.588  0.3842 -0.1630 -0.8358
+  235SOL    HW1 2277   7.479   3.476   5.504  2.3482 -0.5646 -1.7369
+  235SOL    HW2 2278   7.465   3.494   5.654  0.2630  1.3929 -2.1397
+  236SOL     OW 2279   3.752   4.676   5.000 -0.0460 -0.3578  0.0157
+  236SOL    HW1 2280   3.838   4.706   5.028  0.1257 -1.2960  0.5051
+  236SOL    HW2 2281   3.767   4.588   4.965 -0.3711  0.5167 -2.3871
+  237SOL     OW 2282   3.003   2.698   5.344 -0.6496 -0.8571  0.4151
+  237SOL    HW1 2283   2.913   2.693   5.376 -0.4558 -1.8685  0.8185
+  237SOL    HW2 2284   3.031   2.607   5.336  0.1668 -0.5607 -0.2128
+  238SOL     OW 2285   3.104   6.243   4.363 -0.5026 -0.1726 -0.7322
+  238SOL    HW1 2286   3.024   6.217   4.317 -1.6720 -0.3847  1.3385
+  238SOL    HW2 2287   3.105   6.186   4.441  0.4671  1.3792  0.4057
+  239SOL     OW 2288   2.879   3.945   5.161  0.6979 -0.5404 -0.3617
+  239SOL    HW1 2289   2.787   3.922   5.177  1.3694 -3.0779  0.0768
+  239SOL    HW2 2290   2.925   3.914   5.239  2.3383 -2.0517 -1.9080
+  240SOL     OW 2291   5.157   2.827   4.511  0.0084 -0.4187  0.3388
+  240SOL    HW1 2292   5.217   2.898   4.488 -2.0105  1.0037 -0.6484
+  240SOL    HW2 2293   5.211   2.765   4.560  2.0454  1.3041  0.3319
+  241SOL     OW 2294   3.343   2.241   5.006  0.3383 -0.5657 -0.8216
+  241SOL    HW1 2295   3.248   2.228   5.005  0.4536 -2.2298  1.9313
+  241SOL    HW2 2296   3.357   2.311   5.070  1.0622 -1.9899  0.6282
+  242SOL     OW 2297   3.080   2.737   5.911 -0.4960  0.2296 -0.1032
+  242SOL    HW1 2298   3.030   2.781   5.980  2.5923  1.3529  1.5025
+  242SOL    HW2 2299   3.054   2.645   5.919 -1.5511  0.6317  1.3630
+  243SOL     OW 2300   5.042   3.290   5.164 -0.0792 -0.1882 -0.1292
+  243SOL    HW1 2301   5.029   3.374   5.120 -1.0073 -0.4501 -0.3756
+  243SOL    HW2 2302   5.116   3.250   5.118 -1.1411 -0.5282 -1.5927
+  244SOL     OW 2303   3.351   3.211   6.196  0.0200 -0.4210  0.1571
+  244SOL    HW1 2304   3.423   3.235   6.253 -0.5425 -0.5140  0.9106
+  244SOL    HW2 2305   3.313   3.133   6.236 -1.1818  0.2645  0.3655
+  245SOL     OW 2306   4.318   2.858   5.806  0.0054 -0.1666  0.2812
+  245SOL    HW1 2307   4.398   2.807   5.811  0.4224  0.5897  1.7866
+  245SOL    HW2 2308   4.328   2.924   5.875 -0.9186  1.3473 -1.0113
+  246SOL     OW 2309   2.831   6.285   4.403 -0.5678 -0.1893 -0.2790
+  246SOL    HW1 2310   2.778   6.341   4.460  0.2497 -1.6356  1.9771
+  246SOL    HW2 2311   2.785   6.202   4.401 -1.3534  0.2754 -2.9656
+  247SOL     OW 2312   5.129   2.989   6.025  0.1051  0.5765 -0.1449
+  247SOL    HW1 2313   5.138   2.929   6.099  1.0245 -0.8571 -1.3826
+  247SOL    HW2 2314   5.167   2.941   5.951  0.4405  2.5182 -1.2576
+  248SOL     OW 2315   1.640   3.176   4.600 -0.2036  0.0707  0.0412
+  248SOL    HW1 2316   1.725   3.153   4.562 -0.5464  0.5421 -1.0381
+  248SOL    HW2 2317   1.608   3.094   4.638  0.5439 -0.2052  0.0803
+  249SOL     OW 2318   5.300   3.215   5.982 -0.3562  0.1089  0.4855
+  249SOL    HW1 2319   5.338   3.237   6.067  2.7904 -1.9103 -0.3277
+  249SOL    HW2 2320   5.240   3.142   5.999  0.3567 -0.3652  0.9533
+  250SOL     OW 2321   5.779   2.427   5.747 -0.0190 -0.0294  0.0959
+  250SOL    HW1 2322   5.829   2.355   5.786 -1.1584 -0.6302  0.4869
+  250SOL    HW2 2323   5.795   2.501   5.805 -1.8970 -0.9816  1.8968
+  251SOL     OW 2324   3.252   5.815   4.473 -0.6425 -0.4341  0.0306
+  251SOL    HW1 2325   3.278   5.861   4.393 -2.1321 -1.0289 -0.8045
+  251SOL    HW2 2326   3.180   5.867   4.508 -0.8030 -0.8572  0.3283
+  252SOL     OW 2327   4.797   2.151   5.629 -0.1789  0.1753 -0.8529
+  252SOL    HW1 2328   4.841   2.078   5.587  1.6827  0.2402  0.9062
+  252SOL    HW2 2329   4.842   2.229   5.596 -0.4586  0.3840 -0.7505
+  253SOL     OW 2330   4.229   3.891   6.094  0.7527 -0.0617 -0.0313
+  253SOL    HW1 2331   4.227   3.802   6.129  0.0183  0.3435  0.9975
+  253SOL    HW2 2332   4.172   3.888   6.017  1.5700 -0.7268 -0.6071
+  254SOL     OW 2333   4.891   2.370   1.745  0.0519  0.0771  0.3638
+  254SOL    HW1 2334   4.903   2.311   1.671 -2.4795  1.2389 -1.0425
+  254SOL    HW2 2335   4.971   2.423   1.747  0.2314 -0.1182 -1.3772
+  255SOL     OW 2336   2.824   3.520   5.042  0.0125  0.0374 -0.1361
+  255SOL    HW1 2337   2.816   3.542   5.135 -1.0076 -0.9035  0.0026
+  255SOL    HW2 2338   2.862   3.599   5.002  1.1138  0.1909  1.1852
+  256SOL     OW 2339   5.501   5.217   3.651  0.1498 -0.1154 -0.0199
+  256SOL    HW1 2340   5.538   5.217   3.739 -0.9930 -2.8701  0.5164
+  256SOL    HW2 2341   5.432   5.284   3.654  1.1478  0.8828  0.7069
+  257SOL     OW 2342   3.487   3.384   0.958  0.6019 -0.1268 -0.7033
+  257SOL    HW1 2343   3.406   3.350   0.919 -0.5055  0.3858  1.0685
+  257SOL    HW2 2344   3.538   3.417   0.884 -1.7188  1.3996 -1.6712
+  258SOL     OW 2345   5.544   5.984   3.379 -0.5936  0.3915  0.6013
+  258SOL    HW1 2346   5.637   6.007   3.383  0.3217 -2.9255 -0.2994
+  258SOL    HW2 2347   5.514   5.993   3.470  0.8334  0.5046  1.0785
+  259SOL     OW 2348   4.180   5.506   6.199  0.0112  0.0480  0.0215
+  259SOL    HW1 2349   4.092   5.468   6.207  0.1851 -0.4821 -0.5484
+  259SOL    HW2 2350   4.238   5.430   6.194  0.2726  0.3671 -2.2079
+  260SOL     OW 2351   5.322   5.270   4.432 -0.4653  0.5387  0.4004
+  260SOL    HW1 2352   5.311   5.364   4.442 -0.6590  0.8711 -2.5315
+  260SOL    HW2 2353   5.361   5.241   4.515 -0.6738  3.1155  1.4417
+  261SOL     OW 2354   2.325   3.296   5.194  0.1583  0.3472  0.1205
+  261SOL    HW1 2355   2.325   3.212   5.239  0.0991  1.5659  2.4273
+  261SOL    HW2 2356   2.232   3.321   5.190  0.3358  1.1412  1.0136
+  262SOL     OW 2357   3.002   4.900   5.058  0.4540 -0.0247 -0.2285
+  262SOL    HW1 2358   2.996   4.925   4.966  0.8384  1.3992  0.1154
+  262SOL    HW2 2359   2.979   4.979   5.106 -0.5861 -0.9913  0.9137
+  263SOL     OW 2360   4.995   4.894   5.134 -0.3321  0.3572 -0.3581
+  263SOL    HW1 2361   4.989   4.804   5.166  2.0957  0.5697  0.8832
+  263SOL    HW2 2362   4.906   4.928   5.140 -0.8023 -1.1352  1.7310
+  264SOL     OW 2363   3.254   2.833   0.555 -0.0685  0.2575 -0.0837
+  264SOL    HW1 2364   3.205   2.885   0.619  0.7549 -0.1874  0.9361
+  264SOL    HW2 2365   3.256   2.745   0.592 -0.3389 -0.2156 -1.1707
+  265SOL     OW 2366   4.273   2.525   2.694  0.6030  0.2823  0.1178
+  265SOL    HW1 2367   4.288   2.607   2.740 -0.5181  0.6475 -0.1525
+  265SOL    HW2 2368   4.240   2.550   2.608  0.2434 -0.4426  0.0345
+  266SOL     OW 2369   6.075   3.648   1.640 -0.0018  0.2847 -0.2931
+  266SOL    HW1 2370   6.082   3.743   1.630  0.2727  0.1999 -0.9906
+  266SOL    HW2 2371   5.981   3.630   1.639 -0.2062  0.8637  3.1703
+  267SOL     OW 2372   4.359   2.667   3.017  0.0171  0.3773  0.0097
+  267SOL    HW1 2373   4.333   2.594   3.074 -0.8289  1.5722  1.1858
+  267SOL    HW2 2374   4.285   2.680   2.958  0.1517  0.2956 -0.1761
+  268SOL     OW 2375   3.863   6.328   4.059  0.0217 -0.5072 -0.0241
+  268SOL    HW1 2376   3.835   6.239   4.075  1.6386 -1.4446 -2.1213
+  268SOL    HW2 2377   3.928   6.346   4.127  2.3821 -2.2732 -1.7371
+  269SOL     OW 2378   3.057   1.518   2.846  0.4265 -0.2409  0.0733
+  269SOL    HW1 2379   3.050   1.603   2.891  0.0114 -0.1221 -0.2041
+  269SOL    HW2 2380   3.140   1.522   2.798  0.0734  0.2916 -0.5064
+  270SOL     OW 2381   1.949   3.021   4.724 -0.0372  0.2853  0.6487
+  270SOL    HW1 2382   1.917   2.993   4.638  0.0483  0.8827  0.4238
+  270SOL    HW2 2383   2.042   3.035   4.712 -0.0342  0.4213  0.8253
+  271SOL     OW 2384   0.494   5.442   3.704  0.8441  0.3372 -0.2849
+  271SOL    HW1 2385   0.411   5.396   3.698 -0.0135  1.6466  1.1524
+  271SOL    HW2 2386   0.470   5.535   3.714  2.4745  0.7927 -0.4127
+  272SOL     OW 2387   3.835   1.684   3.207  0.1290  0.2598  0.2794
+  272SOL    HW1 2388   3.910   1.626   3.221 -0.4849 -1.4075 -2.9918
+  272SOL    HW2 2389   3.774   1.662   3.278  1.0261 -1.1993  0.6085
+  273SOL     OW 2390   1.943   1.444   3.390 -0.1955  0.6222  0.3249
+  273SOL    HW1 2391   2.003   1.464   3.319  0.2221  0.3990  0.6180
+  273SOL    HW2 2392   1.856   1.453   3.351  0.0451 -1.8726 -0.8384
+  274SOL     OW 2393   3.581   2.097   3.772  0.0617  0.1646 -0.0169
+  274SOL    HW1 2394   3.627   2.174   3.737 -1.1222  0.2414 -1.4637
+  274SOL    HW2 2395   3.521   2.133   3.837  1.4429  0.1466  1.3072
+  275SOL     OW 2396   3.716   3.052   4.700 -0.0053  0.3896  0.1584
+  275SOL    HW1 2397   3.751   3.108   4.630 -0.1523  0.4898  0.1622
+  275SOL    HW2 2398   3.636   3.015   4.662 -0.3622  0.8495  0.4513
+  276SOL     OW 2399   5.029   5.478   3.887 -0.2424 -0.3367  0.2690
+  276SOL    HW1 2400   4.982   5.559   3.868  1.5977  0.5707 -0.6167
+  276SOL    HW2 2401   4.996   5.416   3.822  2.3951  1.3632 -2.9091
+  277SOL     OW 2402   2.331   5.880   4.919 -0.3212  0.0940  0.3103
+  277SOL    HW1 2403   2.270   5.844   4.984 -0.0356 -0.5570  0.2182
+  277SOL    HW2 2404   2.390   5.936   4.969 -0.7741  0.4412  0.4535
+  278SOL     OW 2405   4.718   4.221   4.464  0.2101 -0.5515  0.2607
+  278SOL    HW1 2406   4.655   4.175   4.409 -0.5258  0.4585  0.2355
+  278SOL    HW2 2407   4.789   4.158   4.478 -1.3954 -2.1788  1.3588
+  279SOL     OW 2408   4.309   4.951   5.064 -0.7796 -0.5232 -0.6557
+  279SOL    HW1 2409   4.270   4.930   5.149 -1.0770  0.0368 -0.6461
+  279SOL    HW2 2410   4.385   4.894   5.057 -0.7497 -0.5621 -0.0088
+  280SOL     OW 2411   4.660   4.997   4.817  0.0229 -0.3966  0.2276
+  280SOL    HW1 2412   4.683   4.924   4.875  0.9209 -0.4960 -0.2353
+  280SOL    HW2 2413   4.635   4.955   4.734 -1.4736 -0.2663  0.5951
+  281SOL     OW 2414   4.337   4.333   4.864  0.3617  0.0374 -0.0526
+  281SOL    HW1 2415   4.308   4.420   4.892  0.6043  1.0230 -2.6325
+  281SOL    HW2 2416   4.312   4.329   4.772  0.3857 -2.6506  0.0368
+  282SOL     OW 2417   4.781   0.780   4.481  0.6999  0.3059  0.1240
+  282SOL    HW1 2418   4.836   0.780   4.403  0.3098  0.2899 -0.1545
+  282SOL    HW2 2419   4.839   0.754   4.552  0.2710 -3.2918 -0.7381
+  283SOL     OW 2420   2.682   4.908   4.850 -0.5481 -0.3463 -0.4805
+  283SOL    HW1 2421   2.686   4.931   4.942  0.4982 -0.7452 -0.4121
+  283SOL    HW2 2422   2.767   4.934   4.815 -0.8706 -0.3560 -1.2925
+  284SOL     OW 2423   3.147   5.322   4.850  0.4828  0.6649 -0.0971
+  284SOL    HW1 2424   3.082   5.370   4.901 -0.7312 -1.0050 -0.0462
+  284SOL    HW2 2425   3.192   5.390   4.799  0.5573  2.1629  1.8777
+  285SOL     OW 2426   5.812   3.124   6.438 -0.2756 -0.2310  0.4013
+  285SOL    HW1 2427   5.796   3.096   6.528  2.4517 -1.1447  0.6651
+  285SOL    HW2 2428   5.907   3.140   6.435 -0.8180  3.0495 -1.4120
+  286SOL     OW 2429   2.936   1.290   6.091 -0.3722 -0.3121 -0.9017
+  286SOL    HW1 2430   2.971   1.336   6.167  0.0215  0.7291 -1.6982
+  286SOL    HW2 2431   2.872   1.351   6.054  1.1189  0.1901 -2.7480
+  287SOL     OW 2432   4.096   2.509   5.580  0.2187 -0.1094 -0.1703
+  287SOL    HW1 2433   4.085   2.528   5.487 -0.7244  1.3595  0.2240
+  287SOL    HW2 2434   4.185   2.474   5.587  0.3040 -0.2106 -1.6096
+  288SOL     OW 2435   2.614   5.176   4.595 -0.1124 -0.5951  0.7311
+  288SOL    HW1 2436   2.583   5.229   4.522 -0.8579 -1.4243  0.4272
+  288SOL    HW2 2437   2.709   5.173   4.584 -0.0719  0.6189  0.7276
+  289SOL     OW 2438   3.084   3.421   4.748  0.0788 -0.3761 -0.0088
+  289SOL    HW1 2439   3.079   3.355   4.816 -1.4791  0.3039  0.5721
+  289SOL    HW2 2440   3.117   3.499   4.792  0.7441 -0.4262 -0.4181
+  290SOL     OW 2441   1.946   4.276   4.441 -0.0329  0.1081  0.0646
+  290SOL    HW1 2442   1.906   4.280   4.527  0.8359  0.6258  0.4468
+  290SOL    HW2 2443   1.947   4.367   4.411  0.7041  0.0724 -0.0157
+  291SOL     OW 2444   3.305   3.136   5.945 -0.3367 -0.2092 -0.3506
+  291SOL    HW1 2445   3.300   3.040   5.944 -0.1551 -0.2220 -0.0760
+  291SOL    HW2 2446   3.311   3.158   6.038 -0.5074  0.0749 -0.4095
+  292SOL     OW 2447   2.903   7.316   5.189  0.1611  0.0065  0.5120
+  292SOL    HW1 2448   2.830   7.377   5.187  1.1001  1.1366  0.5312
+  292SOL    HW2 2449   2.868   7.239   5.235 -1.3696  0.0518 -0.5424
+  293SOL     OW 2450   3.363   2.544   5.792 -0.1085  0.2035 -0.7290
+  293SOL    HW1 2451   3.417   2.466   5.780  1.3521  1.5004 -3.1769
+  293SOL    HW2 2452   3.359   2.557   5.887  3.6327 -0.1653 -0.4373
+  294SOL     OW 2453   4.314   4.089   0.619 -0.0140  0.2719 -0.0301
+  294SOL    HW1 2454   4.383   4.028   0.594 -0.4133 -0.1383 -0.1306
+  294SOL    HW2 2455   4.238   4.034   0.636  0.0211  0.6131  1.2740
+  295SOL     OW 2456   4.148   4.144   2.182 -0.5412 -0.7285 -0.2247
+  295SOL    HW1 2457   4.113   4.232   2.172 -0.4474 -0.8789 -2.0646
+  295SOL    HW2 2458   4.242   4.153   2.172 -0.5844 -1.1085 -1.0653
+  296SOL     OW 2459   5.637   3.170   2.481 -0.5629 -0.0325  0.3939
+  296SOL    HW1 2460   5.552   3.213   2.473 -0.8676 -0.7402 -0.3162
+  296SOL    HW2 2461   5.616   3.076   2.486  0.1732 -0.2160  0.1639
+  297SOL     OW 2462   0.689   1.817   3.051  0.1112 -0.1047 -0.1648
+  297SOL    HW1 2463   0.756   1.880   3.077 -1.5022  0.5214  2.7689
+  297SOL    HW2 2464   0.738   1.743   3.015  2.2929  0.8792  0.7020
+  298SOL     OW 2465   6.813   3.072   4.168  0.6605 -0.0114 -0.1216
+  298SOL    HW1 2466   6.802   3.096   4.076  0.5624 -0.7827 -0.3114
+  298SOL    HW2 2467   6.752   2.999   4.181  0.0893  0.6208  0.7633
+  299SOL     OW 2468   1.656   2.110   4.926 -0.3953 -0.2849 -0.0959
+  299SOL    HW1 2469   1.747   2.098   4.952 -0.5334 -3.2898 -0.8208
+  299SOL    HW2 2470   1.606   2.081   5.002 -0.7575 -0.8041 -0.5346
+  300SOL     OW 2471   1.589   2.591   4.774  0.2342  0.0237  0.0572
+  300SOL    HW1 2472   1.538   2.634   4.706  0.3874  1.3739  0.7935
+  300SOL    HW2 2473   1.674   2.575   4.732  0.3994  1.0386 -0.0056
+  301SOL     OW 2474   5.680   6.133   4.817  0.2626 -0.0764  0.0322
+  301SOL    HW1 2475   5.713   6.217   4.785 -0.7738  0.3956  0.1600
+  301SOL    HW2 2476   5.727   6.118   4.898  1.2577 -0.1646 -0.5556
+  302SOL     OW 2477   5.013   2.646   1.736 -0.2243  0.0380  0.1835
+  302SOL    HW1 2478   4.994   2.629   1.828  0.9650 -0.6854  0.3128
+  302SOL    HW2 2479   5.104   2.616   1.725 -0.4181 -0.0458 -1.2587
+  303SOL     OW 2480   7.014   2.958   4.552 -0.9495  0.5647 -0.0308
+  303SOL    HW1 2481   6.921   2.979   4.562 -0.9928 -0.7318  2.6372
+  303SOL    HW2 2482   7.022   2.868   4.582  0.8468 -0.0770 -2.2614
+  304SOL     OW 2483   2.603   6.239   3.236 -0.0056  0.1343  0.3187
+  304SOL    HW1 2484   2.599   6.148   3.265  1.1618  0.8097  2.6570
+  304SOL    HW2 2485   2.600   6.233   3.140  2.6588 -2.5103  0.3319
+  305SOL     OW 2486   5.003   6.096   1.980 -0.1879  0.2855  0.2204
+  305SOL    HW1 2487   4.966   6.081   1.893 -2.1598  0.6153  0.9643
+  305SOL    HW2 2488   5.004   6.191   1.989 -1.6447  0.2202  1.2187
+  306SOL     OW 2489   3.455   6.162   6.722  0.0552 -0.1291  0.3243
+  306SOL    HW1 2490   3.513   6.232   6.752  0.5192 -0.2174 -0.3685
+  306SOL    HW2 2491   3.382   6.208   6.681 -0.8907  0.0132  2.1060
+  307SOL     OW 2492   2.898   2.540   6.616  0.7357 -0.1098  0.1761
+  307SOL    HW1 2493   2.882   2.524   6.523  1.6172 -0.1448  0.0234
+  307SOL    HW2 2494   2.885   2.634   6.627  1.6484  0.0624 -0.1962
+  308SOL     OW 2495   4.292   3.261   1.401  0.3357 -0.1942  0.1424
+  308SOL    HW1 2496   4.305   3.343   1.448 -2.3371 -0.8874  2.2085
+  308SOL    HW2 2497   4.272   3.288   1.311  0.0108  1.3876  0.6789
+  309SOL     OW 2498   5.327   5.523   4.462  0.5099  0.0006 -0.0280
+  309SOL    HW1 2499   5.403   5.570   4.498 -1.0371  1.6934  1.1749
+  309SOL    HW2 2500   5.308   5.569   4.380 -0.9104  1.4363  1.0731
+  310SOL     OW 2501   1.953   3.664   3.771 -0.0332  0.5534  0.0541
+  310SOL    HW1 2502   1.978   3.738   3.717  0.3715  0.1623 -0.2919
+  310SOL    HW2 2503   1.923   3.597   3.709  0.6379  0.0263  0.2950
+  311SOL     OW 2504   6.491   1.847   4.897 -0.1595  0.1348  0.1862
+  311SOL    HW1 2505   6.562   1.889   4.848 -0.5759  0.7687  0.1098
+  311SOL    HW2 2506   6.523   1.759   4.915  0.1008 -0.0190 -0.9953
+  312SOL     OW 2507   4.445   4.793   5.660 -0.0913  0.4085  0.3602
+  312SOL    HW1 2508   4.480   4.724   5.604  2.5963  2.2049 -0.2121
+  312SOL    HW2 2509   4.471   4.767   5.748  1.4482  0.9632  0.0854
+  313SOL     OW 2510   5.212   4.321   6.698 -0.1035  0.0823  0.0649
+  313SOL    HW1 2511   5.218   4.415   6.681 -1.0419  0.0812 -0.2673
+  313SOL    HW2 2512   5.120   4.299   6.686 -0.1228 -0.6414  1.4141
+  314SOL     OW 2513   5.716   5.408   5.480 -0.3515 -0.3985 -0.3847
+  314SOL    HW1 2514   5.793   5.362   5.447 -0.2846  0.5099 -1.5348
+  314SOL    HW2 2515   5.738   5.429   5.571  0.3628 -0.9838 -0.4203
+  315SOL     OW 2516   0.499   1.753   7.830 -0.0070 -0.0106  0.1994
+  315SOL    HW1 2517   0.493   1.848   7.833 -1.0309 -0.0106 -1.2853
+  315SOL    HW2 2518   0.570   1.735   7.768 -0.0179 -0.2194  0.2453
+  316SOL     OW 2519   1.235   7.586   0.590  0.2995 -0.2119 -0.1477
+  316SOL    HW1 2520   1.202   7.562   0.677  0.8774 -0.4953  0.0002
+  316SOL    HW2 2521   1.313   7.532   0.579  0.7877  0.5379 -0.4304
+  317SOL     OW 2522   1.265   1.830   0.921  0.0171 -0.1112  0.1798
+  317SOL    HW1 2523   1.294   1.859   0.835  0.6127  0.9864  0.7379
+  317SOL    HW2 2524   1.300   1.896   0.982 -3.5009  1.2499  0.8964
+  318SOL     OW 2525   7.259   1.298   1.987 -0.0884 -0.2188  0.0643
+  318SOL    HW1 2526   7.304   1.368   1.939  0.3759 -0.1317  0.6154
+  318SOL    HW2 2527   7.319   1.277   2.059 -1.1549  0.2110  1.0811
+  319SOL     OW 2528   1.149   1.950   7.588 -0.3579  0.7947 -0.4367
+  319SOL    HW1 2529   1.201   1.882   7.544 -0.4758 -0.9228  1.9945
+  319SOL    HW2 2530   1.193   2.032   7.566  0.2621 -0.1016 -2.7608
+  320SOL     OW 2531   2.244   1.798   1.200  0.4401 -0.3717  0.0718
+  320SOL    HW1 2532   2.316   1.807   1.263  0.4004 -0.5349  0.1411
+  320SOL    HW2 2533   2.285   1.763   1.122  0.4578 -0.3466  0.0700
+  321SOL     OW 2534   3.303   1.248   1.735  0.4883 -0.3613 -0.2557
+  321SOL    HW1 2535   3.330   1.157   1.742  1.0871 -0.3562 -2.2642
+  321SOL    HW2 2536   3.334   1.276   1.649 -0.7815  1.3634 -0.1855
+  322SOL     OW 2537   1.076   1.832   2.246  0.2540 -0.3057  1.0652
+  322SOL    HW1 2538   1.144   1.795   2.190  1.2724 -1.5421  3.0703
+  322SOL    HW2 2539   1.117   1.907   2.287 -0.0755 -0.1754  1.1582
+  323SOL     OW 2540   0.530   1.652   0.593 -0.4126 -0.4129  0.0935
+  323SOL    HW1 2541   0.618   1.690   0.603 -0.1728 -0.8862 -0.1761
+  323SOL    HW2 2542   0.547   1.562   0.567 -0.9582 -1.5273  3.4765
+  324SOL     OW 2543   1.451   7.402   0.319 -0.2111 -0.1150  0.0077
+  324SOL    HW1 2544   1.513   7.342   0.361  1.8260  1.6187 -0.4135
+  324SOL    HW2 2545   1.414   7.351   0.247  2.6265 -0.4277 -1.2990
+  325SOL     OW 2546   0.783   0.824   2.494  0.1457  0.4595 -0.3353
+  325SOL    HW1 2547   0.768   0.896   2.433  0.1669  2.4858  1.9642
+  325SOL    HW2 2548   0.848   0.857   2.556 -1.1624 -0.8397  1.8369
+  326SOL     OW 2549   1.119   7.500   3.002 -0.0284  0.1999 -0.5012
+  326SOL    HW1 2550   1.031   7.512   2.965 -0.6381  0.3951  0.9747
+  326SOL    HW2 2551   1.153   7.423   2.957 -1.2387 -0.2991 -0.5808
+  327SOL     OW 2552   1.946   0.624   0.326 -0.8793  0.4175  0.0059
+  327SOL    HW1 2553   1.916   0.703   0.371 -0.3032 -0.4485  1.9483
+  327SOL    HW2 2554   2.041   0.637   0.315 -0.8811  0.2541 -0.2122
+  328SOL     OW 2555   7.613   0.765   2.358 -0.0571  0.7453 -0.3575
+  328SOL    HW1 2556   7.670   0.813   2.298 -1.6825  0.7454 -1.9784
+  328SOL    HW2 2557   7.609   0.677   2.322 -0.3578  0.5014  0.2633
+  329SOL     OW 2558   1.757   7.623   1.633  0.1688  0.5872 -0.0873
+  329SOL    HW1 2559   1.694   7.693   1.652 -0.2072  0.3963 -0.6382
+  329SOL    HW2 2560   1.821   7.629   1.704 -1.6089 -0.5936  1.6650
+  330SOL     OW 2561   7.007   2.004   1.855 -0.0833 -0.4540  0.2214
+  330SOL    HW1 2562   6.962   2.016   1.938  0.6365  2.1770  0.2765
+  330SOL    HW2 2563   6.936   1.995   1.791 -0.6672 -0.5357  0.8683
+  331SOL     OW 2564   1.287   1.158   2.937  0.2500 -0.5164  0.1035
+  331SOL    HW1 2565   1.318   1.101   3.007 -1.0270 -1.5395 -0.1380
+  331SOL    HW2 2566   1.252   1.098   2.871 -1.4380  0.5503  0.0018
+  332SOL     OW 2567   2.259   2.478   0.931 -0.1542  0.0242  0.3200
+  332SOL    HW1 2568   2.311   2.399   0.920 -0.5786 -0.1096 -0.8252
+  332SOL    HW2 2569   2.180   2.449   0.977 -1.1394 -0.5834 -1.6821
+  333SOL     OW 2570   7.931   1.921   1.436  0.0328  0.2799  0.7378
+  333SOL    HW1 2571   7.872   1.965   1.497 -0.7785 -0.1222  0.2609
+  333SOL    HW2 2572   7.879   1.848   1.401  1.9446 -2.2834  2.9937
+  334SOL     OW 2573   0.082   1.891   2.643  1.2149 -0.3599  0.1143
+  334SOL    HW1 2574   0.174   1.914   2.630  1.3311 -1.6340 -1.6410
+  334SOL    HW2 2575   0.033   1.967   2.611  1.6452  0.2064  0.7902
+  335SOL     OW 2576   1.780   2.204   1.501  0.3451  0.3304 -0.7163
+  335SOL    HW1 2577   1.862   2.248   1.480  1.6743 -1.6462  0.1385
+  335SOL    HW2 2578   1.754   2.240   1.586  1.1088 -0.1056 -0.2961
+  336SOL     OW 2579   1.785   7.966   1.925 -0.3148  0.3280 -0.2819
+  336SOL    HW1 2580   1.794   8.060   1.941 -0.5467  0.0883  1.3642
+  336SOL    HW2 2581   1.697   7.945   1.955 -0.1513 -0.4744 -0.3612
+  337SOL     OW 2582   1.756   0.349   0.057 -0.3615 -0.1797 -0.2734
+  337SOL    HW1 2583   1.690   0.395   0.005 -0.0428 -0.5932 -1.0508
+  337SOL    HW2 2584   1.735   0.256   0.046 -0.7924 -0.2423  1.0054
+  338SOL     OW 2585   2.667   2.174   7.860 -0.2669 -0.0212  0.2549
+  338SOL    HW1 2586   2.646   2.225   7.782  0.8843 -1.5124 -1.0736
+  338SOL    HW2 2587   2.596   2.109   7.866 -0.3859  0.1291  0.4927
+  339SOL     OW 2588   0.445   1.292   7.974 -0.4997  0.0696 -0.2548
+  339SOL    HW1 2589   0.466   1.346   8.050 -0.6530 -0.8639  0.4697
+  339SOL    HW2 2590   0.406   1.213   8.012 -1.0552 -0.1801 -1.3378
+  340SOL     OW 2591   1.891   1.622   0.928  0.3918 -0.3276  0.1510
+  340SOL    HW1 2592   1.802   1.657   0.941  0.8416  1.1845 -0.7296
+  340SOL    HW2 2593   1.918   1.592   1.015 -1.2582 -1.5110  0.2926
+  341SOL     OW 2594   1.872   1.373   1.552  0.2427  0.0331 -0.0344
+  341SOL    HW1 2595   1.826   1.445   1.508  0.3396 -0.2926 -0.6679
+  341SOL    HW2 2596   1.815   1.351   1.625 -0.1328  0.2922 -0.2417
+  342SOL     OW 2597   7.680   7.586   2.718 -0.3306 -0.0714  0.4312
+  342SOL    HW1 2598   7.774   7.597   2.733 -0.4626 -1.6490  2.5796
+  342SOL    HW2 2599   7.642   7.671   2.741  0.3707  0.0049  1.3334
+  343SOL     OW 2600   1.942   3.169   0.781 -0.1582  0.1035 -0.6447
+  343SOL    HW1 2601   1.903   3.210   0.859  0.9555 -1.0059  0.5180
+  343SOL    HW2 2602   1.982   3.242   0.733 -0.8555  0.7940 -0.1818
+  344SOL     OW 2603   2.574   1.002   2.635  0.6882  0.0918  0.6364
+  344SOL    HW1 2604   2.645   0.963   2.584  0.5410  0.8392 -0.1561
+  344SOL    HW2 2605   2.611   1.085   2.667 -0.2131  1.0874 -0.8255
+  345SOL     OW 2606   0.323   7.469   1.365 -0.1498 -0.0608 -0.3189
+  345SOL    HW1 2607   0.270   7.544   1.391 -2.2600 -2.0359  1.3636
+  345SOL    HW2 2608   0.414   7.499   1.374 -0.9160  1.6952  2.1531
+  346SOL     OW 2609   7.361   1.088   0.911  0.4173  0.3892 -0.0870
+  346SOL    HW1 2610   7.302   1.103   0.837  0.3186 -1.6955 -0.4603
+  346SOL    HW2 2611   7.440   1.051   0.872  0.5875 -0.1792  0.7753
+  347SOL     OW 2612   1.495   1.938   7.166  0.5931 -0.2805 -0.2620
+  347SOL    HW1 2613   1.527   1.898   7.246  1.7897  0.3871 -0.3980
+  347SOL    HW2 2614   1.503   2.032   7.181 -0.9713 -0.1018 -0.4373
+  348SOL     OW 2615   1.653   2.401   0.875  0.9867 -0.2604 -0.2129
+  348SOL    HW1 2616   1.674   2.412   0.782  0.1315 -0.5311 -0.4405
+  348SOL    HW2 2617   1.640   2.490   0.907  1.1173 -0.1776 -0.3834
+  349SOL     OW 2618   0.325   0.126   1.045  0.5347 -0.2218 -0.0373
+  349SOL    HW1 2619   0.346   0.200   1.102  0.5938 -0.3389  0.0926
+  349SOL    HW2 2620   0.329   0.163   0.956 -0.1431  0.0963  0.0656
+  350SOL     OW 2621   2.925   1.295   6.890  0.4199  1.0173 -0.5390
+  350SOL    HW1 2622   2.952   1.378   6.930  1.6274  0.7781 -0.8300
+  350SOL    HW2 2623   2.861   1.321   6.823  0.3064  1.6551 -0.1899
+  351SOL     OW 2624   7.188   1.947   7.901  0.7535  0.5366  0.1025
+  351SOL    HW1 2625   7.280   1.972   7.906  1.0898 -0.7661  0.7497
+  351SOL    HW2 2626   7.179   1.876   7.965 -0.6252  0.4424 -0.1788
+  352SOL     OW 2627   1.862   1.111   0.859 -0.4000 -0.3239 -0.1349
+  352SOL    HW1 2628   1.899   1.032   0.819  0.8910 -0.0802  0.5722
+  352SOL    HW2 2629   1.909   1.121   0.942 -1.6448  0.3191  0.5133
+  353SOL     OW 2630   1.163   1.382   0.805 -0.6787 -0.0755  0.3722
+  353SOL    HW1 2631   1.163   1.290   0.780 -1.5741 -0.0593  0.3102
+  353SOL    HW2 2632   1.131   1.383   0.895  1.2388 -0.0011  1.0863
+  354SOL     OW 2633   1.258   3.228   7.781 -0.1982  0.5681 -0.9829
+  354SOL    HW1 2634   1.281   3.192   7.867  1.1524  1.3028 -1.0166
+  354SOL    HW2 2635   1.212   3.309   7.800 -0.5632  0.3482 -0.9388
+  355SOL     OW 2636   6.705   1.513   2.120 -0.0498 -0.3224 -0.3742
+  355SOL    HW1 2637   6.689   1.598   2.080 -1.0391  0.0821  0.8504
+  355SOL    HW2 2638   6.784   1.480   2.076  1.5629  2.1256  0.5770
+  356SOL     OW 2639   2.225   7.584   1.265  0.3512  0.1417 -0.3948
+  356SOL    HW1 2640   2.134   7.580   1.294  0.6012  0.2697  0.4226
+  356SOL    HW2 2641   2.228   7.661   1.208 -0.3139 -0.5528 -1.3778
+  357SOL     OW 2642   2.291   1.375   2.249 -0.3735  0.5782  0.4422
+  357SOL    HW1 2643   2.345   1.301   2.220  1.0377  0.6927  2.6595
+  357SOL    HW2 2644   2.277   1.359   2.342 -2.4908  1.6316  0.3326
+  358SOL     OW 2645   1.598   0.403   0.982 -0.3035 -0.1079 -0.3815
+  358SOL    HW1 2646   1.564   0.365   1.063  1.3640 -0.9945 -0.0625
+  358SOL    HW2 2647   1.538   0.372   0.914 -1.2393 -0.0329  0.4074
+  359SOL     OW 2648   2.729   0.521   7.769  0.2303  0.3705  0.5828
+  359SOL    HW1 2649   2.783   0.469   7.827  1.8683 -0.2105 -1.3955
+  359SOL    HW2 2650   2.668   0.459   7.730  0.7654  0.2863 -0.1462
+  360SOL     OW 2651   1.025   0.386   0.613  0.0544  0.2043  0.1047
+  360SOL    HW1 2652   0.974   0.454   0.570  1.5498 -0.7685 -3.3197
+  360SOL    HW2 2653   0.968   0.310   0.615  0.2516  0.0369 -0.8132
+  361SOL     OW 2654   7.936   7.857   2.238  0.4116 -0.0564  0.1925
+  361SOL    HW1 2655   7.852   7.828   2.274  0.3313 -0.5074 -0.3466
+  361SOL    HW2 2656   7.925   7.951   2.223 -0.1484 -0.1950 -0.2877
+  362SOL     OW 2657   1.983   6.365   0.336  0.1334  0.2871  0.3586
+  362SOL    HW1 2658   2.058   6.411   0.297 -0.2036  1.5430  1.1707
+  362SOL    HW2 2659   1.922   6.434   0.360 -0.8405 -0.6628  0.6818
+  363SOL     OW 2660   3.285   5.364   1.864  0.0838  0.0872  0.3647
+  363SOL    HW1 2661   3.312   5.440   1.812 -0.3018 -0.9291 -1.3641
+  363SOL    HW2 2662   3.360   5.304   1.858 -0.7444 -0.8684 -0.7171
+  364SOL     OW 2663   2.723   1.380   6.728  0.1386 -0.1896 -0.0742
+  364SOL    HW1 2664   2.736   1.355   6.637 -0.4927 -0.3829 -0.1148
+  364SOL    HW2 2665   2.678   1.305   6.767 -0.7423  0.4092  0.0796
+  365SOL     OW 2666   2.059   1.669   0.703  0.6105 -0.2987 -0.3484
+  365SOL    HW1 2667   2.022   1.647   0.788 -0.2126 -0.6702 -0.8012
+  365SOL    HW2 2668   2.107   1.589   0.677  1.9398  0.2575  0.3384
+  366SOL     OW 2669   7.362   0.703   1.071 -0.3902 -0.4462 -0.5145
+  366SOL    HW1 2670   7.375   0.786   1.024 -1.7561 -0.4710 -0.9452
+  366SOL    HW2 2671   7.271   0.680   1.056 -0.7719 -0.6446  1.8720
+  367SOL     OW 2672   0.434   0.658   2.579 -0.6777  0.1628  0.2593
+  367SOL    HW1 2673   0.405   0.709   2.655  0.2523 -0.7049  1.2284
+  367SOL    HW2 2674   0.364   0.667   2.515 -0.7668  2.1907  0.6181
+  368SOL     OW 2675   2.747   0.015   1.452  0.5827  0.6133  0.1883
+  368SOL    HW1 2676   2.664   0.060   1.442  0.3156 -0.2630 -1.8817
+  368SOL    HW2 2677   2.799   0.072   1.508 -1.2248  1.4035  1.0908
+  369SOL     OW 2678   2.213   2.096   1.157 -0.2461 -0.1729 -0.4717
+  369SOL    HW1 2679   2.123   2.116   1.130 -0.0403  1.7007  0.1203
+  369SOL    HW2 2680   2.217   2.001   1.158 -2.9330 -0.3207  1.7334
+  370SOL     OW 2681   6.635   1.383   1.621  0.3438 -0.1796 -0.1941
+  370SOL    HW1 2682   6.589   1.392   1.538  0.5663  0.7254 -0.2322
+  370SOL    HW2 2683   6.718   1.430   1.608  1.5950 -2.3909 -0.3527
+  371SOL     OW 2684   0.669   1.162   0.179  0.2998 -0.8605 -0.3195
+  371SOL    HW1 2685   0.582   1.123   0.181 -1.0945  2.0358 -2.0663
+  371SOL    HW2 2686   0.666   1.233   0.243  1.0721 -0.1940 -0.9964
+  372SOL     OW 2687   0.367   1.560   1.101  0.4965  0.1202 -0.1275
+  372SOL    HW1 2688   0.354   1.653   1.121 -1.2751  0.4119 -2.4182
+  372SOL    HW2 2689   0.356   1.516   1.185 -0.0056  1.8613  0.7521
+  373SOL     OW 2690   1.340   0.142   1.031  0.4263 -0.2932 -0.1802
+  373SOL    HW1 2691   1.405   0.093   1.081 -0.4013 -1.5497 -0.2957
+  373SOL    HW2 2692   1.264   0.083   1.026 -1.1124  1.5264  0.8522
+  374SOL     OW 2693   7.786   2.439   1.923 -0.3085 -0.5102 -0.8278
+  374SOL    HW1 2694   7.729   2.375   1.879 -0.6457 -0.5422 -0.3468
+  374SOL    HW2 2695   7.776   2.421   2.016 -0.7915  0.5657 -0.6586
+  375SOL     OW 2696   1.211   7.806   1.264 -0.6882 -0.5763  0.1440
+  375SOL    HW1 2697   1.183   7.893   1.235  3.3142  1.1831  1.1799
+  375SOL    HW2 2698   1.236   7.760   1.184  1.4466  0.9196 -0.1067
+  376SOL     OW 2699   1.049   1.699   0.497  0.0419  0.0670  0.0827
+  376SOL    HW1 2700   1.021   1.788   0.519 -1.3464 -0.6676  1.3771
+  376SOL    HW2 2701   1.103   1.671   0.571  0.5602 -0.1353 -0.3666
+  377SOL     OW 2702   0.447   0.955   0.542 -0.4105  0.0795 -0.0015
+  377SOL    HW1 2703   0.476   0.917   0.459 -1.5301 -1.8152  0.4635
+  377SOL    HW2 2704   0.355   0.977   0.527 -0.4779  0.1918  0.5916
+  378SOL     OW 2705   0.794   1.198   2.255 -0.0206  0.2485  0.1782
+  378SOL    HW1 2706   0.793   1.238   2.342 -1.2674 -1.0501  0.7797
+  378SOL    HW2 2707   0.887   1.182   2.236  0.3091  1.2612  0.9193
+  379SOL     OW 2708   2.175   2.999   0.144 -0.2927  0.2059  0.3821
+  379SOL    HW1 2709   2.209   3.059   0.077  0.3952 -1.4088 -0.7309
+  379SOL    HW2 2710   2.248   2.941   0.163 -1.2161 -0.8173  0.8427
+  380SOL     OW 2711   0.301   2.314   0.816  0.3501  0.1435 -0.2963
+  380SOL    HW1 2712   0.319   2.242   0.875  2.1562  0.0006 -0.9572
+  380SOL    HW2 2713   0.238   2.369   0.862  0.7610 -0.6234  1.2100
+  381SOL     OW 2714   0.185   7.136   1.221  0.1908  0.6404 -0.2505
+  381SOL    HW1 2715   0.093   7.160   1.211 -0.0226  0.4892  1.1965
+  381SOL    HW2 2716   0.233   7.217   1.202 -0.4509  1.8488  2.9510
+  382SOL     OW 2717   7.764   0.175   0.389  0.1776 -0.3247  0.0710
+  382SOL    HW1 2718   7.761   0.092   0.340  2.2239  1.2573 -2.8506
+  382SOL    HW2 2719   7.685   0.222   0.362  0.1493 -0.3940  0.0330
+  383SOL     OW 2720   7.297   1.139   3.229  0.0329  0.1365  0.4943
+  383SOL    HW1 2721   7.297   1.066   3.168 -1.6681 -2.6687  3.6977
+  383SOL    HW2 2722   7.240   1.204   3.187  0.0346 -1.1185 -1.5332
+  384SOL     OW 2723   0.473   0.872   2.180 -0.0986 -0.3481 -0.3314
+  384SOL    HW1 2724   0.380   0.854   2.194 -0.4397  0.5126 -1.4082
+  384SOL    HW2 2725   0.492   0.833   2.094  0.5369 -0.5279 -0.1125
+  385SOL     OW 2726   1.462   0.530   0.706 -0.1064  0.1742  0.0653
+  385SOL    HW1 2727   1.429   0.449   0.744 -1.1485  0.2728 -0.6408
+  385SOL    HW2 2728   1.524   0.502   0.639 -0.6698 -0.0312 -0.3623
+  386SOL     OW 2729   0.005   1.786   0.761  0.4012 -0.3216  0.4913
+  386SOL    HW1 2730   0.098   1.807   0.772  0.2394  0.1075  1.0407
+  386SOL    HW2 2731  -0.015   1.727   0.834 -0.0576  0.5606  1.0905
+  387SOL     OW 2732   7.771   1.837   0.647  0.2513 -0.3586 -0.3303
+  387SOL    HW1 2733   7.860   1.820   0.677  0.0898  0.1869  0.4631
+  387SOL    HW2 2734   7.751   1.925   0.678 -1.2668 -1.2034  1.1525
+  388SOL     OW 2735   1.227   0.055   4.419 -0.6817 -1.2053  0.1985
+  388SOL    HW1 2736   1.317   0.025   4.413  0.2106  1.6298 -1.7479
+  388SOL    HW2 2737   1.181   0.008   4.350  0.2251  0.2262 -1.4252
+  389SOL     OW 2738   0.655   6.115   0.052  0.4616  0.0191  0.2879
+  389SOL    HW1 2739   0.737   6.115   0.003  1.0008  0.9666  1.1804
+  389SOL    HW2 2740   0.601   6.181   0.009  0.8811  0.7460  0.8601
+  390SOL     OW 2741   2.665   1.293   7.428  0.1539  0.0946 -0.1534
+  390SOL    HW1 2742   2.716   1.296   7.347  1.6085 -0.9759  0.6964
+  390SOL    HW2 2743   2.726   1.321   7.496 -0.7375 -0.0501  0.7159
+  391SOL     OW 2744   1.708   0.738   0.595  0.0821  0.5599 -0.0607
+  391SOL    HW1 2745   1.642   0.739   0.663  0.6925  1.3870  0.5324
+  391SOL    HW2 2746   1.784   0.696   0.635  0.5654  1.3776 -0.1007
+  392SOL     OW 2747   2.125   2.176   0.833 -0.1328 -0.1164  0.1131
+  392SOL    HW1 2748   2.107   2.083   0.845  0.1411  0.2636  4.3547
+  392SOL    HW2 2749   2.041   2.219   0.849  0.8175  0.6099  3.7864
+  393SOL     OW 2750   0.872   2.770   1.633  0.0927 -0.2583  0.5023
+  393SOL    HW1 2751   0.845   2.789   1.723 -1.0263  3.1278 -0.4539
+  393SOL    HW2 2752   0.793   2.734   1.591 -0.5421  1.7102 -0.0643
+  394SOL     OW 2753   1.887   2.530   1.601  0.3661  0.1376  0.6952
+  394SOL    HW1 2754   1.862   2.458   1.658  0.7347  0.0723  0.7753
+  394SOL    HW2 2755   1.981   2.542   1.616  0.8832 -1.1413 -1.2772
+  395SOL     OW 2756   0.629   0.559   0.944 -0.4435 -0.0592  0.6017
+  395SOL    HW1 2757   0.584   0.643   0.955 -2.0326 -0.8268  0.1727
+  395SOL    HW2 2758   0.624   0.541   0.850  0.4372 -0.3217  0.6080
+  396SOL     OW 2759   1.328   0.710   0.079 -0.2975  0.3952  0.1673
+  396SOL    HW1 2760   1.268   0.710   0.153 -0.2750  0.1913  0.1872
+  396SOL    HW2 2761   1.406   0.754   0.110 -0.8775  1.7134 -0.2210
+  397SOL     OW 2762   7.485   2.458   2.454  0.1929  0.7305  0.2233
+  397SOL    HW1 2763   7.392   2.434   2.446  0.6181 -0.6697 -0.7392
+  397SOL    HW2 2764   7.486   2.530   2.516 -1.4305 -0.0396  1.1693
+  398SOL     OW 2765   0.830   0.883   2.197  0.5452  0.7161  0.0201
+  398SOL    HW1 2766   0.842   0.889   2.102  0.3714  1.7481  0.0579
+  398SOL    HW2 2767   0.918   0.887   2.233  0.4926  2.1778 -0.0068
+  399SOL     OW 2768   2.789   1.919   7.734 -0.2532 -0.1545 -0.6171
+  399SOL    HW1 2769   2.717   1.897   7.674 -1.9700  1.6314  0.6883
+  399SOL    HW2 2770   2.761   2.002   7.774  3.3982  1.5584 -1.3948
+  400SOL     OW 2771   0.571   7.158   0.098  0.4080 -0.1851  0.0401
+  400SOL    HW1 2772   0.595   7.123   0.184 -1.9280 -0.0094  0.8131
+  400SOL    HW2 2773   0.629   7.232   0.085  0.9195 -0.3304  1.3925
+  401SOL     OW 2774   2.355   0.502   1.574 -0.2679  0.3355  0.1846
+  401SOL    HW1 2775   2.279   0.444   1.577  0.1669 -0.1551  2.0154
+  401SOL    HW2 2776   2.342   0.564   1.645  0.0351  1.5654 -0.7979
+  402SOL     OW 2777   3.273   0.179   0.870  0.3066 -0.0749 -0.3102
+  402SOL    HW1 2778   3.263   0.273   0.854 -0.0055  0.2670  1.7893
+  402SOL    HW2 2779   3.185   0.150   0.893  0.5731 -0.6981 -0.0776
+  403SOL     OW 2780   3.803   1.211   6.817  0.1684  0.3278 -0.0748
+  403SOL    HW1 2781   3.883   1.264   6.815  0.3659  0.0029 -0.9798
+  403SOL    HW2 2782   3.775   1.213   6.908  2.9037 -2.0576  0.8907
+  404SOL     OW 2783   0.344   1.834   0.967  0.1157  0.2400  0.3616
+  404SOL    HW1 2784   0.282   1.906   0.959  0.9292  0.8822 -0.2538
+  404SOL    HW2 2785   0.313   1.769   0.904 -2.3697 -1.2868  3.0278
+  405SOL     OW 2786   2.933   0.256   6.843  0.0595  1.0573 -0.1319
+  405SOL    HW1 2787   2.861   0.229   6.900  0.4213  1.3661  0.4856
+  405SOL    HW2 2788   2.922   0.351   6.835  1.2952  1.3311  1.2390
+  406SOL     OW 2789   1.896   1.425   0.472  0.9028 -0.1893 -0.3499
+  406SOL    HW1 2790   1.968   1.456   0.526  1.9272 -1.8317 -0.7173
+  406SOL    HW2 2791   1.928   1.435   0.382 -0.0213  0.7070 -0.5888
+  407SOL     OW 2792   7.759   7.961   7.691 -0.3116 -0.0389 -0.1711
+  407SOL    HW1 2793   7.829   8.024   7.675 -0.9766  0.7832  0.1235
+  407SOL    HW2 2794   7.697   8.007   7.747 -0.7925 -0.9656  0.0761
+  408SOL     OW 2795   2.221   6.940   1.112 -0.8593 -0.2259 -0.1018
+  408SOL    HW1 2796   2.161   6.913   1.182 -0.5066  0.1036  0.3317
+  408SOL    HW2 2797   2.300   6.888   1.126 -0.7867 -0.1584 -0.2529
+  409SOL     OW 2798   0.915   7.745   0.812  0.1922 -0.5246 -0.1189
+  409SOL    HW1 2799   0.820   7.747   0.807  0.1360  1.2440  1.3150
+  409SOL    HW2 2800   0.943   7.707   0.728 -1.7490 -1.0406 -0.5540
+  410SOL     OW 2801   1.711   1.980   7.977 -0.7505 -0.1129 -0.0365
+  410SOL    HW1 2802   1.679   1.894   8.003 -1.4717 -0.3460 -1.6188
+  410SOL    HW2 2803   1.805   1.977   7.996 -0.0601 -2.5704 -3.2660
+  411SOL     OW 2804   0.915   1.203   0.810  0.4599 -0.2306  0.4168
+  411SOL    HW1 2805   0.830   1.174   0.778  0.3926 -0.2757  0.6376
+  411SOL    HW2 2806   0.905   1.297   0.824 -0.0268 -0.4960  1.9380
+  412SOL     OW 2807   1.328   0.170   1.600 -0.1153 -0.3704  0.3174
+  412SOL    HW1 2808   1.355   0.080   1.615 -0.1131 -0.3653  0.3456
+  412SOL    HW2 2809   1.311   0.176   1.506  0.4324 -0.2475  0.2287
+  413SOL     OW 2810   7.325   6.709   3.561 -0.4319  0.3276 -0.1223
+  413SOL    HW1 2811   7.277   6.664   3.631 -0.0715 -1.4550 -1.0029
+  413SOL    HW2 2812   7.266   6.706   3.486  1.1549 -2.2915 -1.3538
+  414SOL     OW 2813   7.093   2.052   1.077  0.1029  0.2765 -0.4825
+  414SOL    HW1 2814   7.185   2.040   1.053  0.0031 -1.0867 -0.2256
+  414SOL    HW2 2815   7.051   2.081   0.996  0.5341 -0.2699 -0.9078
+  415SOL     OW 2816   0.774   2.380   0.650  0.1441 -0.1145 -0.3076
+  415SOL    HW1 2817   0.737   2.325   0.580  0.8259 -1.2327  0.1995
+  415SOL    HW2 2818   0.706   2.380   0.718 -0.6451  1.2151 -1.0774
+  416SOL     OW 2819   1.946   2.387   1.297  0.0417  0.5953  0.0460
+  416SOL    HW1 2820   2.037   2.389   1.325 -0.3755  0.7848  1.3878
+  416SOL    HW2 2821   1.931   2.473   1.258  0.1686  0.9015  0.6726
+  417SOL     OW 2822   3.125   0.820   0.219  0.1115  0.2083 -0.4984
+  417SOL    HW1 2823   3.168   0.868   0.291  1.0854  0.4551 -1.2279
+  417SOL    HW2 2824   3.066   0.759   0.263  0.7115  0.3433  0.5220
+  418SOL     OW 2825   6.277   3.448   1.543  0.2340  0.0891  0.1499
+  418SOL    HW1 2826   6.253   3.396   1.620  1.2949  0.0801  0.4760
+  418SOL    HW2 2827   6.219   3.525   1.548 -2.4678 -1.7662 -1.2167
+  419SOL     OW 2828   1.291   1.981   1.437  0.6476 -0.0829  0.7206
+  419SOL    HW1 2829   1.365   2.040   1.453  0.2950 -0.3630  3.7706
+  419SOL    HW2 2830   1.215   2.039   1.435  0.4273 -0.2795  2.5880
+  420SOL     OW 2831   1.454   0.525   1.359 -0.1658  0.2981  0.1159
+  420SOL    HW1 2832   1.487   0.467   1.291  0.0309  0.7264 -0.1534
+  420SOL    HW2 2833   1.361   0.536   1.338  0.3085  1.9224 -1.1518
+  421SOL     OW 2834   7.276   1.312   0.329  0.0913 -0.2423 -0.2852
+  421SOL    HW1 2835   7.303   1.379   0.392  1.2993 -0.0388 -1.0046
+  421SOL    HW2 2836   7.242   1.241   0.383  2.1925 -0.5480  0.6847
+  422SOL     OW 2837   3.065   1.652   2.192  0.3480  0.2616  0.0683
+  422SOL    HW1 2838   2.995   1.718   2.185  0.5349  0.7600  2.4285
+  422SOL    HW2 2839   3.019   1.569   2.201  0.0432  0.5167  0.9587
+  423SOL     OW 2840   0.851   0.548   0.494  0.2409 -0.0888 -0.3758
+  423SOL    HW1 2841   0.896   0.515   0.416 -0.3505 -1.8282 -0.0010
+  423SOL    HW2 2842   0.758   0.531   0.476  0.2064 -1.8516  1.3161
+  424SOL     OW 2843   0.274   7.132   1.929  0.5208  0.1279  0.4954
+  424SOL    HW1 2844   0.329   7.206   1.950  1.3020 -1.2294  3.3752
+  424SOL    HW2 2845   0.335   7.064   1.900 -0.1043  0.2416 -1.1577
+  425SOL     OW 2846   7.717   1.451   3.197 -0.1058 -0.7531 -0.0132
+  425SOL    HW1 2847   7.693   1.381   3.258  0.4870 -0.4794  0.5471
+  425SOL    HW2 2848   7.651   1.519   3.211 -0.1462 -0.8168  0.1055
+  426SOL     OW 2849   7.976   0.512   1.202  0.8208  0.6210  0.3113
+  426SOL    HW1 2850   7.939   0.463   1.129  0.9523  0.8610  0.0850
+  426SOL    HW2 2851   7.999   0.445   1.267  2.4020  0.2512 -0.6108
+  427SOL     OW 2852   7.956   1.468   1.611  0.0130  0.3285  0.0772
+  427SOL    HW1 2853   7.950   1.554   1.654 -1.8938 -0.0195  0.5409
+  427SOL    HW2 2854   7.895   1.413   1.659  0.4821 -1.0351 -0.8667
+  428SOL     OW 2855   7.559   0.709   4.938 -0.1910 -0.0436  0.1047
+  428SOL    HW1 2856   7.584   0.686   4.849 -2.0401 -1.8217  0.0190
+  428SOL    HW2 2857   7.465   0.724   4.934 -0.5746 -1.6886  2.0508
+  429SOL     OW 2858   0.865   0.655   0.756  0.4375  0.0962  0.0516
+  429SOL    HW1 2859   0.859   0.600   0.677  0.0482 -0.5714  0.5349
+  429SOL    HW2 2860   0.797   0.721   0.743  1.4509  0.9657 -0.9081
+  430SOL     OW 2861   3.064   2.123   1.562 -0.6821  0.7909  0.2572
+  430SOL    HW1 2862   3.137   2.154   1.615 -0.5914  0.0947  0.5500
+  430SOL    HW2 2863   2.990   2.121   1.623 -0.0872 -2.0884  0.9370
+  431SOL     OW 2864   1.994   1.342   7.672 -0.0775 -0.1454 -0.1884
+  431SOL    HW1 2865   2.013   1.257   7.632 -3.1509 -1.1973  0.4802
+  431SOL    HW2 2866   1.932   1.383   7.612  0.5987  1.2134  0.0180
+  432SOL     OW 2867   7.792   7.342   0.842  0.3003 -0.0837  0.2430
+  432SOL    HW1 2868   7.834   7.395   0.909  0.8220 -1.1181  0.7280
+  432SOL    HW2 2869   7.810   7.251   0.866  2.8662 -0.4748 -2.7643
+  433SOL     OW 2870   7.437   0.633   2.046 -0.5609  0.3253  0.0953
+  433SOL    HW1 2871   7.511   0.573   2.038 -0.3559  0.4203  1.1727
+  433SOL    HW2 2872   7.362   0.583   2.016  0.0558  0.4886 -1.7574
+  434SOL     OW 2873   2.131   0.689   1.116 -0.3340  0.5587 -0.2243
+  434SOL    HW1 2874   2.038   0.666   1.113 -0.2613  0.1496  0.4500
+  434SOL    HW2 2875   2.176   0.604   1.120  0.1032  0.7363 -1.3122
+  435SOL     OW 2876   0.401   1.833   1.382 -0.7038 -0.6101 -0.1670
+  435SOL    HW1 2877   0.364   1.898   1.441  0.5622 -0.1837  0.1767
+  435SOL    HW2 2878   0.348   1.839   1.303 -1.0258  0.3670  0.1161
+  436SOL     OW 2879   7.818   7.739   1.763 -0.0080 -0.2556  0.3069
+  436SOL    HW1 2880   7.835   7.651   1.798 -0.3548  0.3036  1.9016
+  436SOL    HW2 2881   7.728   7.758   1.789 -0.2379  0.2377 -0.8039
+  437SOL     OW 2882   2.938   6.469   2.028  0.3762  0.3098  0.6541
+  437SOL    HW1 2883   2.891   6.520   2.094  1.1997 -1.0612  2.3254
+  437SOL    HW2 2884   2.907   6.379   2.041 -0.4449  0.2061 -1.7225
+  438SOL     OW 2885   4.102   1.481   0.083  0.1351  0.8728 -0.2379
+  438SOL    HW1 2886   4.016   1.520   0.099 -0.5416 -0.3721 -0.8000
+  438SOL    HW2 2887   4.164   1.546   0.116 -1.0520  1.0600  1.6735
+  439SOL     OW 2888   7.350   0.505   1.535  0.1051 -0.0279 -0.1657
+  439SOL    HW1 2889   7.387   0.486   1.621  0.2494  2.4628  0.3605
+  439SOL    HW2 2890   7.300   0.427   1.512  1.4212 -1.3600  1.4434
+  440SOL     OW 2891   3.275   1.328   0.058  0.4806  0.0333  0.1612
+  440SOL    HW1 2892   3.200   1.268   0.054  0.7911 -0.3027 -0.9043
+  440SOL    HW2 2893   3.238   1.414   0.037  0.1230  0.1276  1.1814
+  441SOL     OW 2894   0.223   0.843   1.847 -0.1806  0.2536 -0.4178
+  441SOL    HW1 2895   0.264   0.795   1.775  1.1201  0.6206  0.0616
+  441SOL    HW2 2896   0.160   0.901   1.805 -0.7498 -0.8432 -1.1111
+  442SOL     OW 2897   3.669   0.308   6.869 -0.2840  0.0664  0.0369
+  442SOL    HW1 2898   3.738   0.248   6.841 -0.2399  0.8562 -1.5757
+  442SOL    HW2 2899   3.667   0.298   6.965  2.7965  0.7623  0.2398
+  443SOL     OW 2900   1.531   0.733   2.071  0.0046  0.0982  0.6770
+  443SOL    HW1 2901   1.524   0.826   2.051 -0.7380  0.4075  2.2950
+  443SOL    HW2 2902   1.459   0.693   2.023  2.5385 -0.2150 -3.0872
+  444SOL     OW 2903   1.167   0.920   7.967 -0.2965  0.4629  0.6863
+  444SOL    HW1 2904   1.196   0.832   7.993 -0.0713  0.7284  1.3654
+  444SOL    HW2 2905   1.153   0.965   8.051 -0.1120  1.1698  0.3324
+  445SOL     OW 2906   6.793   2.003   1.695 -0.0910  0.5540  0.0843
+  445SOL    HW1 2907   6.706   2.041   1.679 -0.4086  0.3886  1.3070
+  445SOL    HW2 2908   6.780   1.909   1.685 -0.3198  0.4412  1.3755
+  446SOL     OW 2909   7.874   1.406   1.365  0.3969  0.0256  0.1622
+  446SOL    HW1 2910   7.888   1.428   1.457 -0.5954  0.9443  0.1058
+  446SOL    HW2 2911   7.781   1.422   1.350  0.7944  1.1339 -1.3106
+  447SOL     OW 2912   2.897   7.221   2.312 -0.2443  0.2820  0.0180
+  447SOL    HW1 2913   2.945   7.302   2.328 -1.0483  0.4907  1.4737
+  447SOL    HW2 2914   2.888   7.181   2.398 -0.4009 -1.0572 -0.6026
+  448SOL     OW 2915   7.462   2.154   1.623 -0.0568  0.0384 -0.9122
+  448SOL    HW1 2916   7.444   2.060   1.627 -0.7190  0.2192  0.7903
+  448SOL    HW2 2917   7.398   2.188   1.560 -1.6956 -0.2500  0.5496
+  449SOL     OW 2918   0.373   0.250   0.343 -0.1588 -0.4168  0.4574
+  449SOL    HW1 2919   0.409   0.170   0.305  0.0792  0.0828 -0.3887
+  449SOL    HW2 2920   0.360   0.308   0.268 -1.5267 -0.1253  0.9052
+  450SOL     OW 2921   0.368   2.301   1.505  0.1778 -0.0348 -0.2127
+  450SOL    HW1 2922   0.306   2.237   1.470 -0.0948  0.6557 -1.0013
+  450SOL    HW2 2923   0.318   2.350   1.570  0.0547  0.1616 -0.4567
+  451SOL     OW 2924   1.939   0.422   1.774 -0.0014 -0.1835  0.1079
+  451SOL    HW1 2925   2.005   0.409   1.706 -1.3854 -0.8782 -1.1367
+  451SOL    HW2 2926   1.923   0.516   1.776  2.6617  0.2756  2.0185
+  452SOL     OW 2927   7.283   7.786   0.544  0.6972 -0.3461 -0.3968
+  452SOL    HW1 2928   7.311   7.699   0.514  0.4609  0.2329 -2.3506
+  452SOL    HW2 2929   7.361   7.840   0.534  0.3682  0.0537 -0.7943
+  453SOL     OW 2930   7.128   1.581   2.057 -0.0359  0.7726  0.6926
+  453SOL    HW1 2931   7.222   1.567   2.070 -0.1612  0.0898  0.8693
+  453SOL    HW2 2932   7.108   1.657   2.112  0.8027  2.1968 -0.9049
+  454SOL     OW 2933   0.344   1.723   1.819  0.0020 -0.4761  0.0417
+  454SOL    HW1 2934   0.268   1.778   1.836 -0.3947 -1.2281  0.7630
+  454SOL    HW2 2935   0.407   1.781   1.776 -0.6756  0.3478  0.1470
+  455SOL     OW 2936   6.706   0.125   1.304  0.4937 -0.2592  0.5483
+  455SOL    HW1 2937   6.675   0.150   1.391 -1.2721  1.0263 -0.4386
+  455SOL    HW2 2938   6.685   0.199   1.248  0.1921 -1.7104 -1.3056
+  456SOL     OW 2939   1.449   1.629   0.516  0.3981 -0.4836  0.0527
+  456SOL    HW1 2940   1.502   1.553   0.540  1.5678  0.5614  0.8466
+  456SOL    HW2 2941   1.376   1.629   0.578  1.1037 -0.2260  0.8947
+  457SOL     OW 2942   0.736   1.023   0.971 -0.4524 -0.1385 -0.0744
+  457SOL    HW1 2943   0.672   0.956   0.993  1.8257 -3.3023 -2.6290
+  457SOL    HW2 2944   0.714   1.050   0.882 -0.9548  2.0845  0.6953
+  458SOL     OW 2945   2.353   0.510   0.039 -0.1111  0.2508 -0.3512
+  458SOL    HW1 2946   2.328   0.536   0.128  0.1096 -0.1036 -0.1836
+  458SOL    HW2 2947   2.401   0.585   0.005  1.4772 -0.3267  0.5266
+  459SOL     OW 2948   0.722   0.450   3.023  0.0961  0.3091 -0.0319
+  459SOL    HW1 2949   0.710   0.525   3.081 -0.4923  0.4565 -0.3340
+  459SOL    HW2 2950   0.727   0.488   2.935 -0.7841 -0.0434 -0.2411
+  460SOL     OW 2951   1.552   6.768   1.165 -0.0255 -0.1213 -0.3906
+  460SOL    HW1 2952   1.518   6.845   1.212  1.1118  0.5343 -0.6482
+  460SOL    HW2 2953   1.552   6.794   1.073  0.6916 -0.3076 -0.4434
+  461SOL     OW 2954   6.283   1.984   1.699 -0.0640  0.4822 -0.4717
+  461SOL    HW1 2955   6.244   2.025   1.776  0.6717  1.1294 -0.4379
+  461SOL    HW2 2956   6.209   1.945   1.653 -0.3490 -1.0589  1.2418
+  462SOL     OW 2957   2.439   2.683   2.278  0.1772  0.3241 -0.2504
+  462SOL    HW1 2958   2.456   2.589   2.273  1.4921  0.5986 -1.3365
+  462SOL    HW2 2959   2.426   2.700   2.371 -1.9247 -1.2141 -0.2254
+  463SOL     OW 2960   0.226   1.952   0.303  0.2234  0.3190 -0.1873
+  463SOL    HW1 2961   0.305   1.899   0.312 -0.3625 -0.5792 -0.2708
+  463SOL    HW2 2962   0.178   1.939   0.386 -0.3703 -0.0190 -0.5820
+  464SOL     OW 2963   1.410   1.205   2.246  0.5492 -0.5461 -0.0784
+  464SOL    HW1 2964   1.375   1.265   2.180  1.9474 -1.1003 -1.3421
+  464SOL    HW2 2965   1.491   1.246   2.276  0.7828 -1.1170  0.0767
+  465SOL     OW 2966   1.539   0.298   1.239 -0.4270  0.9362  0.1642
+  465SOL    HW1 2967   1.566   0.235   1.306  0.7252 -2.7080 -3.4988
+  465SOL    HW2 2968   1.444   0.287   1.234 -0.3383  0.1164  0.1692
+  466SOL     OW 2969   1.234   1.314   1.860 -0.3106  0.3527  0.1265
+  466SOL    HW1 2970   1.146   1.351   1.855  0.2194  1.8572  1.3295
+  466SOL    HW2 2971   1.225   1.236   1.916 -0.8313  0.6744  0.4948
+  467SOL     OW 2972   7.507   2.433   1.097 -0.1782  0.6220 -0.2444
+  467SOL    HW1 2973   7.549   2.495   1.037  2.8521 -0.3207  0.8626
+  467SOL    HW2 2974   7.453   2.378   1.039  0.3900  1.6019 -1.7427
+  468SOL     OW 2975   1.407   6.985   1.229  0.0988 -0.0415  0.2334
+  468SOL    HW1 2976   1.368   7.055   1.281  0.1983  0.6649 -0.6222
+  468SOL    HW2 2977   1.334   6.950   1.177  0.2358  0.0614 -0.0299
+  469SOL     OW 2978   1.431   0.971   1.013  0.0416 -0.4587 -0.0327
+  469SOL    HW1 2979   1.516   1.001   1.045 -0.2446  0.2840  0.0421
+  469SOL    HW2 2980   1.401   0.909   1.079  0.0409  0.0917  0.4907
+  470SOL     OW 2981   3.506   4.028   5.844  0.1215  0.2738  0.4602
+  470SOL    HW1 2982   3.574   4.093   5.825  0.6901 -0.0755  1.2845
+  470SOL    HW2 2983   3.440   4.043   5.777 -0.7647  3.1423  1.8674
+  471SOL     OW 2984   1.471   2.737   1.486 -0.3744 -0.1923 -0.1516
+  471SOL    HW1 2985   1.540   2.803   1.486 -0.1011 -0.4625 -1.0736
+  471SOL    HW2 2986   1.518   2.654   1.499 -0.7993 -0.1427  1.8849
+  472SOL     OW 2987   2.050   7.895   0.740  0.0961  0.1584 -0.2752
+  472SOL    HW1 2988   2.056   7.839   0.818 -2.7301 -0.1849 -0.2601
+  472SOL    HW2 2989   2.063   7.836   0.666 -0.7747 -0.1775 -0.1723
+  473SOL     OW 2990   0.872   1.131   2.581 -0.8705 -0.0563  0.5928
+  473SOL    HW1 2991   0.959   1.154   2.612 -0.4481 -0.5927 -0.1817
+  473SOL    HW2 2992   0.835   1.214   2.551 -0.0492 -0.0830 -0.4976
+  474SOL     OW 2993   0.554   2.225   1.332  0.0866  0.1914 -0.0234
+  474SOL    HW1 2994   0.504   2.263   1.404  0.2910  0.7290 -0.1676
+  474SOL    HW2 2995   0.525   2.272   1.255 -0.9904 -1.1752 -0.4752
+  475SOL     OW 2996   2.479   1.238   7.708 -0.3179  0.2353 -0.0495
+  475SOL    HW1 2997   2.473   1.176   7.781 -1.2486  0.7332  0.3016
+  475SOL    HW2 2998   2.479   1.183   7.630 -2.1468 -0.1810  0.2107
+  476SOL     OW 2999   2.239   0.942   1.183  0.0408  1.0686 -0.2294
+  476SOL    HW1 3000   2.212   0.963   1.272  0.8309  0.2530  0.2184
+  476SOL    HW2 3001   2.204   0.854   1.169  2.1694  0.1235  0.2520
+  477SOL     OW 3002   0.169   7.019   2.141  0.0459 -0.1551  0.4213
+  477SOL    HW1 3003   0.119   6.946   2.103 -1.1184  1.1565 -0.5917
+  477SOL    HW2 3004   0.201   7.068   2.065 -0.8512  1.5226  1.1032
+  478SOL     OW 3005   2.133   0.573   7.275 -0.1355  0.2526 -0.5816
+  478SOL    HW1 3006   2.209   0.518   7.296  0.4364  1.6403  1.0751
+  478SOL    HW2 3007   2.154   0.611   7.189 -0.1045 -1.3298 -1.2947
+  479SOL     OW 3008   2.795   0.997   0.761  0.6784  0.2064 -0.3088
+  479SOL    HW1 3009   2.730   0.929   0.743  1.6749 -0.9208  0.3080
+  479SOL    HW2 3010   2.758   1.046   0.835  1.3912 -1.6332  1.3118
+  480SOL     OW 3011   1.793   2.190   1.171 -0.3117 -0.1936 -0.2769
+  480SOL    HW1 3012   1.714   2.182   1.225  0.5757 -2.4518  0.7357
+  480SOL    HW2 3013   1.841   2.263   1.211 -1.8876  1.2634 -0.9583
+  481SOL     OW 3014   2.221   0.538   0.749 -0.6272 -0.2230 -0.4516
+  481SOL    HW1 3015   2.265   0.616   0.717 -3.0093  1.2483 -0.2652
+  481SOL    HW2 3016   2.286   0.468   0.743  1.9314  2.0226  0.5719
+  482SOL     OW 3017   1.445   1.403   0.152 -0.0073 -0.9296 -0.4596
+  482SOL    HW1 3018   1.474   1.313   0.169  0.2234 -0.8402 -0.3761
+  482SOL    HW2 3019   1.407   1.432   0.235  1.9988 -0.1563  0.2235
+  483SOL     OW 3020   2.183   1.644   7.134 -0.3018  0.4811  0.3507
+  483SOL    HW1 3021   2.245   1.644   7.208 -0.5619 -1.4915  0.5755
+  483SOL    HW2 3022   2.141   1.559   7.138 -1.4898  0.9899 -1.1267
+  484SOL     OW 3023   1.513   0.210   0.537  0.4051  0.4344 -0.3981
+  484SOL    HW1 3024   1.418   0.208   0.523  0.6120  2.0102 -2.2478
+  484SOL    HW2 3025   1.549   0.160   0.464  1.0367  0.3710 -0.0432
+  485SOL     OW 3026   2.916   6.450   0.969  0.0602  0.4484  0.1458
+  485SOL    HW1 3027   2.950   6.360   0.962  1.0658  0.7542  0.9382
+  485SOL    HW2 3028   2.854   6.447   1.041  1.1571  0.6905  1.1184
+  486SOL     OW 3029   2.084   0.428   1.315  0.2410  0.3216 -0.0246
+  486SOL    HW1 3030   1.996   0.437   1.278 -0.1216  1.2719  1.0454
+  486SOL    HW2 3031   2.140   0.409   1.240 -0.6156  1.3347 -0.9363
+  487SOL     OW 3032   2.218   7.795   1.104  0.3465  0.2174 -0.3281
+  487SOL    HW1 3033   2.157   7.737   1.059  0.9675 -0.3142 -0.4825
+  487SOL    HW2 3034   2.170   7.878   1.112 -0.5529 -0.3105 -0.0841
+  488SOL     OW 3035   1.436   2.016   1.066 -0.4562  0.4423 -0.1502
+  488SOL    HW1 3036   1.471   2.077   1.130 -0.3804  1.6924 -1.3688
+  488SOL    HW2 3037   1.469   2.047   0.982 -2.0235 -0.0999 -0.9935
+  489SOL     OW 3038   0.723   0.466   4.165 -0.3179  0.3005 -0.6587
+  489SOL    HW1 3039   0.731   0.478   4.260  0.7683  1.2814 -0.8717
+  489SOL    HW2 3040   0.655   0.399   4.156 -0.4392  0.1982  0.8113
+  490SOL     OW 3041   0.635   0.221   2.666  0.1595 -0.4945 -0.0677
+  490SOL    HW1 3042   0.707   0.159   2.653 -0.3777 -1.1482  0.0742
+  490SOL    HW2 3043   0.564   0.168   2.702 -1.4112 -0.4655 -2.9993
+  491SOL     OW 3044   0.405   0.938   1.443 -0.2274 -0.0379 -0.2542
+  491SOL    HW1 3045   0.461   0.981   1.378 -0.0273 -1.0001 -0.7300
+  491SOL    HW2 3046   0.317   0.970   1.425 -0.1898 -0.4021 -1.0971
+  492SOL     OW 3047   0.866   0.826   0.313  0.4413 -0.0009  0.2366
+  492SOL    HW1 3048   0.784   0.875   0.311  0.4295  0.0133  1.1054
+  492SOL    HW2 3049   0.850   0.753   0.372 -0.0430 -1.9930 -2.3152
+  493SOL     OW 3050   1.413   7.554   1.229 -0.2398 -0.0988  0.2144
+  493SOL    HW1 3051   1.337   7.534   1.175 -1.2444 -2.3916  2.3613
+  493SOL    HW2 3052   1.432   7.472   1.275  0.5204  1.7747  3.3948
+  494SOL     OW 3053   6.738   2.216   0.791 -0.0716 -0.4470  0.5540
+  494SOL    HW1 3054   6.773   2.135   0.829  0.0566 -0.2653  0.8223
+  494SOL    HW2 3055   6.762   2.211   0.699 -2.2633 -1.9239  0.0363
+  495SOL     OW 3056   1.868   0.522   2.714 -0.7669  0.3229 -0.2706
+  495SOL    HW1 3057   1.933   0.483   2.772 -0.3244  1.7292  0.2007
+  495SOL    HW2 3058   1.817   0.447   2.682 -0.1150 -0.6124  0.8126
+  496SOL     OW 3059   2.328   2.410   7.777  0.1714  0.0313  0.5779
+  496SOL    HW1 3060   2.421   2.424   7.756  0.2844  1.3100  1.8081
+  496SOL    HW2 3061   2.328   2.331   7.830  0.3234 -1.0424 -0.9837
+  497SOL     OW 3062   1.181   1.258   1.093 -0.4736 -0.4924 -0.5517
+  497SOL    HW1 3063   1.144   1.178   1.057 -0.1937 -0.7877 -0.1813
+  497SOL    HW2 3064   1.275   1.243   1.093 -0.1768  0.9470 -3.2066
+  498SOL     OW 3065   0.741   2.607   2.483  0.0622  0.5661  0.2613
+  498SOL    HW1 3066   0.702   2.559   2.410 -1.2908  0.7575  0.8326
+  498SOL    HW2 3067   0.810   2.549   2.516 -1.6147 -1.0592  1.0168
+  499SOL     OW 3068   0.221   1.562   1.349 -0.6289 -0.0362  0.2100
+  499SOL    HW1 3069   0.154   1.614   1.394 -0.6438 -0.2018  0.3810
+  499SOL    HW2 3070   0.303   1.590   1.389 -0.5784  0.2998 -0.1286
+  500SOL     OW 3071   2.264   0.501   0.399  0.6924 -0.1951 -0.2772
+  500SOL    HW1 3072   2.279   0.578   0.345 -0.6589  1.3996  1.5348
+  500SOL    HW2 3073   2.347   0.488   0.446  0.5862  0.8544  0.2300
+  501SOL     OW 3074   3.879   6.230   2.641  0.0358  0.2561  0.0456
+  501SOL    HW1 3075   3.887   6.238   2.736 -0.5263  0.9568  0.0474
+  501SOL    HW2 3076   3.967   6.213   2.610  0.2173  0.0086  0.7020
+  502SOL     OW 3077   1.566   1.938   7.733 -0.2818 -0.1081  0.3459
+  502SOL    HW1 3078   1.515   1.857   7.737 -3.5434  1.7905 -0.5910
+  502SOL    HW2 3079   1.604   1.948   7.821 -2.5379 -1.0095  1.4459
+  503SOL     OW 3080   1.015   2.319   1.853  0.0879 -0.0676 -0.2773
+  503SOL    HW1 3081   0.928   2.300   1.817  0.4327  1.4052 -1.9852
+  503SOL    HW2 3082   1.055   2.377   1.788  1.0515  2.0861  2.1700
+  504SOL     OW 3083   1.659   6.527   1.143 -0.0172  0.1582 -0.0699
+  504SOL    HW1 3084   1.672   6.522   1.238  1.1810  0.6672 -0.1949
+  504SOL    HW2 3085   1.647   6.621   1.126 -0.5579  0.0334 -0.3933
+  505SOL     OW 3086   7.732   1.564   0.078 -0.0424  0.0319  0.5174
+  505SOL    HW1 3087   7.673   1.543   0.151  0.4156 -0.7817  0.6582
+  505SOL    HW2 3088   7.689   1.525   0.001 -1.0479  1.7814  0.1704
+  506SOL     OW 3089   7.302   1.970   2.239 -0.1090 -0.3841  0.0725
+  506SOL    HW1 3090   7.234   2.037   2.236 -0.6080 -0.8663  0.4804
+  506SOL    HW2 3091   7.384   2.019   2.238 -0.4732  0.2425  0.7620
+  507SOL     OW 3092   7.651   2.231   1.799 -0.7788 -0.0102 -0.2510
+  507SOL    HW1 3093   7.615   2.220   1.887 -1.1805  3.1479  0.0380
+  507SOL    HW2 3094   7.577   2.211   1.741 -0.7390 -1.2943  0.1137
+  508SOL     OW 3095   1.179   2.896   2.233  0.1295 -0.0349 -0.1084
+  508SOL    HW1 3096   1.154   2.808   2.204  0.5483 -0.1567 -0.0986
+  508SOL    HW2 3097   1.110   2.921   2.295 -2.2497  1.3261 -3.2020
+  509SOL     OW 3098   1.836   1.922   1.217 -0.0421  0.2037  0.0368
+  509SOL    HW1 3099   1.818   2.013   1.192  1.8665  0.7083  0.4659
+  509SOL    HW2 3100   1.781   1.870   1.158  0.6024  1.5564 -1.7866
+  510SOL     OW 3101   7.255   3.349   2.212  0.1788 -0.2647 -0.5853
+  510SOL    HW1 3102   7.345   3.374   2.231 -0.2730  0.8172  0.1819
+  510SOL    HW2 3103   7.208   3.362   2.295 -0.7997 -0.2914 -1.1232
+  511SOL     OW 3104   5.742   1.862   1.865  0.3934 -0.0172 -0.1104
+  511SOL    HW1 3105   5.808   1.826   1.925  3.0566  0.3227 -2.7308
+  511SOL    HW2 3106   5.715   1.788   1.812  0.3872  0.3341 -0.5995
+  512SOL     OW 3107   7.476   1.866   0.987 -0.3764 -0.2542 -0.0039
+  512SOL    HW1 3108   7.568   1.868   0.961  0.0016 -2.3806  1.1192
+  512SOL    HW2 3109   7.429   1.893   0.908  1.2218  1.8150 -0.3100
+  513SOL     OW 3110   1.812   6.536   7.918  0.3237 -0.4077 -0.3494
+  513SOL    HW1 3111   1.733   6.496   7.952 -0.3492  0.6481 -0.6398
+  513SOL    HW2 3112   1.807   6.627   7.947  0.0496  0.3568 -2.6618
+  514SOL     OW 3113   7.479   0.048   0.640  0.2798  0.1065  0.3457
+  514SOL    HW1 3114   7.549  -0.015   0.657  0.6591 -0.1349 -1.9683
+  514SOL    HW2 3115   7.524   0.132   0.635  0.1626  0.1821  0.5531
+  515SOL     OW 3116   2.090   1.598   7.962 -0.6142 -0.1904  0.3596
+  515SOL    HW1 3117   2.011   1.598   7.907  0.1645 -1.1007 -0.7785
+  515SOL    HW2 3118   2.162   1.581   7.901  0.4034  0.0315  1.4814
+  516SOL     OW 3119   3.194   0.259   6.963  0.3104 -0.3278 -0.1640
+  516SOL    HW1 3120   3.210   0.173   7.000 -0.5514 -0.0927  0.7853
+  516SOL    HW2 3121   3.104   0.255   6.930 -0.0522  0.4671  0.6796
+  517SOL     OW 3122   1.305   1.749   0.049  0.1090  0.3069 -0.2409
+  517SOL    HW1 3123   1.231   1.691   0.033  1.6717 -1.7335 -0.2828
+  517SOL    HW2 3124   1.309   1.757   0.144 -1.0561  1.6011 -0.3040
+  518SOL     OW 3125   2.448   7.364   2.446  0.0998 -0.3511  0.8605
+  518SOL    HW1 3126   2.500   7.316   2.511 -0.8617 -1.6575  0.6786
+  518SOL    HW2 3127   2.505   7.436   2.419  0.8342 -0.2663  2.5381
+  519SOL     OW 3128   1.640   7.030   7.912  0.0664 -0.1810 -0.0904
+  519SOL    HW1 3129   1.644   6.946   7.868  1.1215 -0.2404  0.1139
+  519SOL    HW2 3130   1.728   7.066   7.904 -0.2089  0.6185  0.3819
+  520SOL     OW 3131   0.950   2.172   7.951  0.0248  0.4994 -0.1821
+  520SOL    HW1 3132   0.974   2.183   8.042 -0.0284 -0.1499 -0.0841
+  520SOL    HW2 3133   1.015   2.110   7.916 -0.4725  0.0662 -0.3512
+  521SOL     OW 3134   0.535   2.366   2.158  0.2332 -0.1953  0.3878
+  521SOL    HW1 3135   0.584   2.377   2.076  0.4453  4.8135  1.0187
+  521SOL    HW2 3136   0.443   2.363   2.131  0.3567  0.4503 -0.1130
+  522SOL     OW 3137   0.087   1.566   0.439  0.5783 -0.2883  0.5429
+  522SOL    HW1 3138  -0.001   1.530   0.443  0.8962 -0.9121  1.9975
+  522SOL    HW2 3139   0.084   1.629   0.367 -1.2830  0.3144  1.1266
+  523SOL     OW 3140   0.480   1.583   7.426  0.0738 -0.1220  0.6208
+  523SOL    HW1 3141   0.528   1.506   7.456  0.2633 -0.2428  0.0162
+  523SOL    HW2 3142   0.548   1.640   7.389  0.2517  1.3015  2.9922
+  524SOL     OW 3143   1.414   0.359   7.777  0.3572  0.0131 -0.4908
+  524SOL    HW1 3144   1.322   0.344   7.795  0.6047 -0.2648  0.6023
+  524SOL    HW2 3145   1.421   0.359   7.682 -0.7688  0.0562 -0.5764
+  525SOL     OW 3146   0.052   0.664   0.584 -0.1696  0.4867  0.1432
+  525SOL    HW1 3147   0.014   0.656   0.671 -0.1992  0.4385  0.1261
+  525SOL    HW2 3148   0.060   0.574   0.553  0.4263  0.4670  0.3505
+  526SOL     OW 3149   0.427   1.992   6.838  0.0763  0.3265 -0.3166
+  526SOL    HW1 3150   0.509   2.002   6.886  0.0221  0.5933 -0.2760
+  526SOL    HW2 3151   0.408   1.898   6.840 -0.5287  0.4730  1.1781
+  527SOL     OW 3152   1.902   7.719   1.855  0.2626 -0.1730  0.8800
+  527SOL    HW1 3153   1.993   7.737   1.829 -0.9002  1.1234 -2.4989
+  527SOL    HW2 3154   1.869   7.804   1.884 -1.0668  0.2431 -1.7840
+  528SOL     OW 3155   5.824   7.674   2.662  0.2626 -0.0608 -0.2764
+  528SOL    HW1 3156   5.766   7.738   2.703  0.7280  0.2832 -0.1467
+  528SOL    HW2 3157   5.891   7.656   2.728 -0.0685 -0.9551 -0.1802
+  529SOL     OW 3158   1.095   0.550   2.102  0.3174 -0.2165 -0.0021
+  529SOL    HW1 3159   1.132   0.610   2.037 -0.3117 -0.5567 -0.6657
+  529SOL    HW2 3160   1.118   0.463   2.070 -0.0297 -0.3854  0.2098
+  530SOL     OW 3161   0.172   0.575   2.722  0.4701 -0.0660  0.5126
+  530SOL    HW1 3162   0.211   0.490   2.740  0.0505 -0.5425 -0.7831
+  530SOL    HW2 3163   0.125   0.597   2.803  1.4512 -0.5623  1.2369
+  531SOL     OW 3164   1.277   1.262   3.707 -0.0791 -0.5921 -0.2189
+  531SOL    HW1 3165   1.277   1.182   3.759 -0.8067 -0.6241 -0.2573
+  531SOL    HW2 3166   1.368   1.292   3.708  0.6407 -2.6124 -2.0567
+  532SOL     OW 3167   0.464   7.776   3.533 -0.0074  0.1276  0.4046
+  532SOL    HW1 3168   0.507   7.860   3.518 -0.6261  0.6009  1.2532
+  532SOL    HW2 3169   0.428   7.752   3.448  3.1738 -1.0143 -0.7277
+  533SOL     OW 3170   1.630   7.823   2.935 -0.8092  0.1794 -0.1181
+  533SOL    HW1 3171   1.551   7.787   2.895 -1.3230  1.8023 -0.6129
+  533SOL    HW2 3172   1.598   7.883   3.002  0.0037  0.7326 -0.2203
+  534SOL     OW 3173   0.571   3.359   2.948 -1.0135 -0.0568  0.2702
+  534SOL    HW1 3174   0.599   3.431   2.891 -0.9850 -1.7118 -1.8412
+  534SOL    HW2 3175   0.652   3.315   2.974 -0.9943  0.9083  1.9412
+  535SOL     OW 3176   0.694   1.599   2.368 -0.4762 -0.0211 -0.2339
+  535SOL    HW1 3177   0.686   1.600   2.273 -1.0711 -2.7787 -0.2373
+  535SOL    HW2 3178   0.785   1.576   2.385 -0.6382 -0.6097 -0.1457
+  536SOL     OW 3179   7.325   1.969   3.765  0.1069 -0.5155 -0.0809
+  536SOL    HW1 3180   7.364   1.888   3.799  1.6198 -0.1047 -0.8256
+  536SOL    HW2 3181   7.265   1.997   3.835  0.0142 -1.9445  0.4396
+  537SOL     OW 3182   1.506   1.195   4.402 -0.5080 -0.7342  0.0053
+  537SOL    HW1 3183   1.434   1.250   4.432 -1.2618 -0.7237 -1.7981
+  537SOL    HW2 3184   1.563   1.254   4.354  1.2056 -0.5577  2.1799
+  538SOL     OW 3185   7.044   2.668   2.206  0.7128 -0.1388 -0.0172
+  538SOL    HW1 3186   7.016   2.731   2.139  0.2878 -0.3952 -0.0774
+  538SOL    HW2 3187   7.138   2.658   2.191  0.8079  0.5847  0.0747
+  539SOL     OW 3188   2.019   1.515   4.957 -0.2935 -0.7303 -0.4443
+  539SOL    HW1 3189   1.942   1.461   4.941 -1.7539  0.6713  1.6597
+  539SOL    HW2 3190   2.023   1.523   5.052  2.3873 -0.6675 -0.5324
+  540SOL     OW 3191   0.438   0.329   3.638  0.0555 -0.3964  0.4232
+  540SOL    HW1 3192   0.509   0.383   3.603  0.1642 -0.6143  0.3056
+  540SOL    HW2 3193   0.365   0.390   3.651  0.3473 -0.1219  0.7943
+  541SOL     OW 3194   2.202   0.115   2.135 -0.0839 -0.2711 -0.3951
+  541SOL    HW1 3195   2.195   0.201   2.092 -1.2463 -1.2343 -2.1923
+  541SOL    HW2 3196   2.249   0.061   2.071  1.2749 -0.8027  1.0226
+  542SOL     OW 3197   7.440   2.201   2.776 -0.0642 -0.1615 -1.4007
+  542SOL    HW1 3198   7.406   2.183   2.688 -1.2765  1.1692 -1.2256
+  542SOL    HW2 3199   7.383   2.150   2.834 -0.6204  0.6371 -1.2393
+  543SOL     OW 3200   1.484   0.383   3.868 -0.3555 -0.6586 -0.4153
+  543SOL    HW1 3201   1.423   0.377   3.942  1.2874 -3.8067  0.8006
+  543SOL    HW2 3202   1.448   0.324   3.803  1.1430 -2.2835  0.1792
+  544SOL     OW 3203   0.188   0.490   3.631 -0.2258 -0.2054 -0.5214
+  544SOL    HW1 3204   0.148   0.567   3.591 -1.1499  0.2366  1.2400
+  544SOL    HW2 3205   0.203   0.515   3.722 -0.0248 -1.9233 -0.0741
+  545SOL     OW 3206   0.827   1.167   4.100 -0.5671  0.0051 -0.2145
+  545SOL    HW1 3207   0.899   1.170   4.037 -0.4578 -1.7652 -0.1921
+  545SOL    HW2 3208   0.748   1.183   4.048 -0.6135 -2.7184 -1.0576
+  546SOL     OW 3209   7.376   1.889   1.723  0.1760 -0.2760 -0.0439
+  546SOL    HW1 3210   7.329   1.828   1.667  1.4453 -2.1708  0.9100
+  546SOL    HW2 3211   7.318   1.902   1.799  0.4927 -1.3816  0.3938
+  547SOL     OW 3212   2.588   1.330   2.444 -0.7690  0.1421 -0.0680
+  547SOL    HW1 3213   2.634   1.413   2.455 -0.8723  0.3843 -1.3767
+  547SOL    HW2 3214   2.651   1.274   2.398 -1.7459  0.4637 -1.8370
+  548SOL     OW 3215   0.500   7.772   2.093  0.2195  0.3842 -0.4486
+  548SOL    HW1 3216   0.537   7.684   2.094  0.7846  0.6281  0.8044
+  548SOL    HW2 3217   0.434   7.772   2.162  2.8350  2.0089  2.1671
+  549SOL     OW 3218   5.747   1.403   1.993 -0.1830  0.1344  0.5496
+  549SOL    HW1 3219   5.824   1.390   2.048  0.6586  0.9413 -0.4216
+  549SOL    HW2 3220   5.781   1.443   1.913 -1.5874  0.3389  0.0436
+  550SOL     OW 3221   1.695   1.293   1.781 -0.0973  0.0199 -0.1768
+  550SOL    HW1 3222   1.710   1.198   1.778 -1.7970 -0.2346 -0.8769
+  550SOL    HW2 3223   1.674   1.311   1.872  3.2848  0.2353  0.6423
+  551SOL     OW 3224   0.671   2.253   0.439  0.0249  0.6014 -0.0748
+  551SOL    HW1 3225   0.662   2.211   0.353 -0.9280 -1.9469  1.2294
+  551SOL    HW2 3226   0.650   2.184   0.502  0.9756  2.3522  2.2365
+  552SOL     OW 3227   1.259   0.175   1.339  0.2433  0.7338 -0.8218
+  552SOL    HW1 3228   1.250   0.136   1.252  0.2996 -1.2545  0.0528
+  552SOL    HW2 3229   1.184   0.235   1.346 -1.1324 -0.8997 -1.3022
+  553SOL     OW 3230   1.980   0.411   3.498 -0.5683 -0.5616  0.3423
+  553SOL    HW1 3231   1.927   0.459   3.434 -0.6711 -0.5362  0.4469
+  553SOL    HW2 3232   1.940   0.432   3.583  0.1557  0.1814  0.5105
+  554SOL     OW 3233   0.142   0.207   2.169 -0.5134 -0.1227 -0.2512
+  554SOL    HW1 3234   0.157   0.185   2.077 -1.0313 -1.2116 -0.0758
+  554SOL    HW2 3235   0.221   0.178   2.214 -0.7441 -0.6585 -0.1842
+  555SOL     OW 3236   0.516   1.228   3.081  0.4831  0.1647  0.2306
+  555SOL    HW1 3237   0.575   1.183   3.021  0.3655  0.5137 -0.1505
+  555SOL    HW2 3238   0.560   1.311   3.100  0.5875 -0.0034  0.7413
+  556SOL     OW 3239   7.985   0.259   4.397 -0.4149  0.2214  0.3491
+  556SOL    HW1 3240   8.080   0.273   4.393 -0.3036 -0.3372  0.9406
+  556SOL    HW2 3241   7.955   0.271   4.307  0.3074 -0.2323  0.0457
+  557SOL     OW 3242   7.128   0.098   3.897 -0.3213  0.2779 -0.3862
+  557SOL    HW1 3243   7.143   0.192   3.907  0.6945 -0.0592  1.3849
+  557SOL    HW2 3244   7.033   0.088   3.907 -0.3084  0.9898  0.4529
+  558SOL     OW 3245   6.108   1.563   3.526  0.6110 -0.1688 -0.5404
+  558SOL    HW1 3246   6.201   1.575   3.547  0.2037 -0.8438  1.7742
+  558SOL    HW2 3247   6.096   1.468   3.527 -0.2773 -0.0537 -0.0979
+  559SOL     OW 3248   1.950   0.918   1.339  1.0959  0.0205  0.5599
+  559SOL    HW1 3249   1.891   0.899   1.267  1.1776 -0.1787  0.5422
+  559SOL    HW2 3250   1.999   0.836   1.351  2.0452  0.4843 -0.0600
+  560SOL     OW 3251   0.871   1.360   3.277  0.5859 -0.0311  0.0603
+  560SOL    HW1 3252   0.906   1.311   3.351  1.1179  0.1547 -0.0644
+  560SOL    HW2 3253   0.837   1.441   3.315 -0.3159 -0.5088  0.2689
+  561SOL     OW 3254   0.312   1.395   4.560 -0.0013 -0.1367 -1.0102
+  561SOL    HW1 3255   0.240   1.341   4.593 -1.2528  0.9557 -1.8963
+  561SOL    HW2 3256   0.387   1.369   4.613 -0.6682 -2.4272 -1.1182
+  562SOL     OW 3257   1.136   0.867   3.167  0.2876  0.3689 -0.0475
+  562SOL    HW1 3258   1.144   0.839   3.076  0.1174  1.4348 -0.4035
+  562SOL    HW2 3259   1.044   0.892   3.176 -0.2020 -1.7139  1.0156
+  563SOL     OW 3260   1.775   1.947   1.663  0.8687 -0.4733  0.7868
+  563SOL    HW1 3261   1.805   1.883   1.598  1.2422  1.0587 -0.5970
+  563SOL    HW2 3262   1.769   2.029   1.614  0.0137  0.4670  2.4349
+  564SOL     OW 3263   7.536   2.489   2.895 -0.1597 -0.2151 -0.3378
+  564SOL    HW1 3264   7.467   2.492   2.828 -1.5486 -2.6617  0.9007
+  564SOL    HW2 3265   7.499   2.433   2.964  1.3373  2.0384  2.3618
+  565SOL     OW 3266   1.066   0.762   2.672  0.2349  0.3930  0.4121
+  565SOL    HW1 3267   1.142   0.821   2.674  0.4419  0.2706 -1.8964
+  565SOL    HW2 3268   1.101   0.679   2.639 -0.8883  0.3547 -0.7271
+  566SOL     OW 3269   2.315   2.877   3.512  0.2460 -0.0565  0.1619
+  566SOL    HW1 3270   2.359   2.906   3.593 -0.3183 -0.7744  0.7329
+  566SOL    HW2 3271   2.348   2.788   3.498 -0.1098 -0.1485 -0.0709
+  567SOL     OW 3272   7.685   0.966   4.810 -0.0524 -0.0403 -0.2893
+  567SOL    HW1 3273   7.780   0.971   4.809 -0.0667 -0.0844 -1.8427
+  567SOL    HW2 3274   7.665   0.889   4.864  0.6682  2.2891  3.5163
+  568SOL     OW 3275   0.822   1.017   3.483 -1.1165  0.1501  0.4869
+  568SOL    HW1 3276   0.803   0.924   3.467  1.5794 -0.3988  0.2096
+  568SOL    HW2 3277   0.869   1.046   3.404 -0.4373  1.2736  1.2850
+  569SOL     OW 3278   1.370   7.401   4.247 -0.0439  0.8035  0.2609
+  569SOL    HW1 3279   1.321   7.451   4.313  1.0462  0.7988  1.0906
+  569SOL    HW2 3280   1.454   7.446   4.241  0.5756 -0.3295  0.2757
+  570SOL     OW 3281   0.724   7.176   3.275 -0.6983  0.4809  0.4683
+  570SOL    HW1 3282   0.742   7.235   3.348 -1.4603  1.1955  0.0878
+  570SOL    HW2 3283   0.746   7.227   3.197 -0.6775  0.0055  0.1588
+  571SOL     OW 3284   0.697   7.396   4.315  0.0114 -0.0983  0.4766
+  571SOL    HW1 3285   0.605   7.400   4.290 -0.0189  4.2187  0.8621
+  571SOL    HW2 3286   0.742   7.450   4.250  2.0098 -0.6015  1.3975
+  572SOL     OW 3287   6.724   1.177   0.706  0.2441  0.7517 -0.4577
+  572SOL    HW1 3288   6.702   1.174   0.799  1.8205  0.2784 -0.0877
+  572SOL    HW2 3289   6.774   1.096   0.690  0.2804  0.9959 -1.6324
+  573SOL     OW 3290   0.360   1.151   1.776 -0.0977  0.1412 -0.0062
+  573SOL    HW1 3291   0.373   1.201   1.695 -1.7650 -0.8054 -0.8826
+  573SOL    HW2 3292   0.267   1.133   1.778  0.4757 -3.0432  0.2225
+  574SOL     OW 3293   0.804   7.627   1.743 -0.3664  0.2367 -0.2095
+  574SOL    HW1 3294   0.817   7.548   1.795 -1.4694  0.5899  0.6196
+  574SOL    HW2 3295   0.772   7.693   1.805 -2.6042  0.3977 -1.4719
+  575SOL     OW 3296   2.725   1.200   3.834  0.1184 -0.0585  0.3349
+  575SOL    HW1 3297   2.719   1.270   3.899 -0.0965  0.7591 -0.5439
+  575SOL    HW2 3298   2.640   1.156   3.838  0.4959 -0.7030  1.3609
+  576SOL     OW 3299   7.775   7.455   1.302 -0.3733 -0.1325 -0.3218
+  576SOL    HW1 3300   7.754   7.368   1.336 -1.6491  0.6534  0.9988
+  576SOL    HW2 3301   7.844   7.487   1.360  0.6699 -0.5698 -1.3058
+  577SOL     OW 3302   6.959   7.720   1.955  0.0863 -0.5487  0.0917
+  577SOL    HW1 3303   7.030   7.701   1.893  0.9527 -0.1978  0.9450
+  577SOL    HW2 3304   6.940   7.636   1.997 -0.8927 -0.9009 -1.0409
+  578SOL     OW 3305   2.497   2.456   3.741  0.0063  0.1371  0.3486
+  578SOL    HW1 3306   2.589   2.432   3.736  0.1928  1.0569 -0.6342
+  578SOL    HW2 3307   2.471   2.432   3.830  1.3444  0.4244  0.8285
+  579SOL     OW 3308   7.143   2.909   3.187 -0.2140 -0.1673  0.3560
+  579SOL    HW1 3309   7.127   2.923   3.280  3.0281  2.2448  0.6444
+  579SOL    HW2 3310   7.074   2.959   3.143 -0.5265  0.3767  1.4429
+  580SOL     OW 3311   0.807   7.935   2.852  0.1792 -0.5091  0.1407
+  580SOL    HW1 3312   0.764   7.906   2.772  2.4244  1.1183 -1.7422
+  580SOL    HW2 3313   0.857   7.859   2.882  0.1604 -0.8186 -0.6025
+  581SOL     OW 3314   1.401   0.605   2.349  0.2425  0.2181  0.4273
+  581SOL    HW1 3315   1.353   0.674   2.396 -0.3552  0.1730 -0.1010
+  581SOL    HW2 3316   1.441   0.651   2.275 -1.7401 -0.3319 -1.0131
+  582SOL     OW 3317   0.552   7.986   3.003  0.1502  0.0406  0.0491
+  582SOL    HW1 3318   0.528   7.922   2.935 -0.0544 -0.3102  0.4511
+  582SOL    HW2 3319   0.647   7.988   3.001  0.2115 -1.3775  1.0497
+  583SOL     OW 3320   1.147   0.288   4.797 -0.6109  0.5058  0.4471
+  583SOL    HW1 3321   1.230   0.274   4.752 -0.4992  0.3572  0.6966
+  583SOL    HW2 3322   1.081   0.290   4.728 -0.7140 -1.8466  0.4357
+  584SOL     OW 3323   0.243   2.073   3.311  0.0715 -0.1801 -0.0188
+  584SOL    HW1 3324   0.236   2.032   3.224  0.7699 -1.9789  0.7514
+  584SOL    HW2 3325   0.332   2.108   3.314  0.3043 -0.7857  0.2468
+  585SOL     OW 3326   0.501   0.884   4.720  0.3176 -0.0604 -0.4970
+  585SOL    HW1 3327   0.567   0.852   4.659  1.6041 -1.1540  1.4114
+  585SOL    HW2 3328   0.550   0.909   4.798 -1.0107  3.7390 -0.7768
+  586SOL     OW 3329   4.035   2.414   2.786 -0.0065  0.4115  0.3968
+  586SOL    HW1 3330   4.017   2.361   2.708  1.8414  0.6489 -0.2131
+  586SOL    HW2 3331   4.117   2.458   2.766  0.2525  0.8188  2.3155
+  587SOL     OW 3332   1.248   7.575   3.220 -0.4035  0.0321  0.4463
+  587SOL    HW1 3333   1.327   7.619   3.189 -0.6847 -0.3231 -0.8118
+  587SOL    HW2 3334   1.206   7.541   3.140  0.5800 -3.8456  1.4582
+  588SOL     OW 3335   1.310   6.745   2.258  0.1056  0.0482  0.1059
+  588SOL    HW1 3336   1.239   6.715   2.315 -0.5005  1.1733 -0.0616
+  588SOL    HW2 3337   1.367   6.795   2.316 -1.1266  2.1906 -0.5117
+  589SOL     OW 3338   2.391   3.155   2.056 -0.6498  0.1915 -0.2693
+  589SOL    HW1 3339   2.371   3.102   1.979 -2.1281 -0.7816  0.7709
+  589SOL    HW2 3340   2.410   3.092   2.125 -1.2353  1.0220  0.6598
+  590SOL     OW 3341   1.740   0.559   3.601 -0.4783 -0.0394 -0.1907
+  590SOL    HW1 3342   1.646   0.571   3.591 -0.3651 -0.0863 -1.4710
+  590SOL    HW2 3343   1.768   0.633   3.655 -1.3084 -0.2588  0.5412
+  591SOL     OW 3344   7.399   1.532   2.061 -0.5065  0.2066 -0.3156
+  591SOL    HW1 3345   7.470   1.526   1.997  0.7297 -0.5263  1.0860
+  591SOL    HW2 3346   7.441   1.567   2.140 -1.3469 -1.7102  1.0176
+  592SOL     OW 3347   7.096   5.649   3.581 -0.2624 -0.4108  0.1881
+  592SOL    HW1 3348   7.161   5.612   3.641  2.7340  3.1189 -0.7057
+  592SOL    HW2 3349   7.056   5.720   3.630  0.1771  0.6778 -1.0171
+  593SOL     OW 3350   0.220   0.696   2.074  0.0529 -0.2830 -0.0441
+  593SOL    HW1 3351   0.196   0.751   1.999  0.8682  1.1007  0.7054
+  593SOL    HW2 3352   0.147   0.705   2.135  0.2236  0.0260  0.1134
+  594SOL     OW 3353   0.667   0.321   3.846  0.0587 -0.2602 -1.0877
+  594SOL    HW1 3354   0.686   0.295   3.756 -1.6462  1.1009 -1.8753
+  594SOL    HW2 3355   0.664   0.417   3.843  1.8325 -0.0862  0.8244
+  595SOL     OW 3356   3.349   2.462   4.291 -0.1876  0.7519 -0.0716
+  595SOL    HW1 3357   3.301   2.510   4.223  1.2549  2.1321 -0.1294
+  595SOL    HW2 3358   3.293   2.470   4.368  0.0736  2.6299 -0.0557
+  596SOL     OW 3359   0.482   7.011   3.320  0.0517 -0.3074  0.3769
+  596SOL    HW1 3360   0.436   6.964   3.251 -0.3016 -0.0676  0.4450
+  596SOL    HW2 3361   0.574   6.986   3.310  0.1990  0.7269 -0.9844
+  597SOL     OW 3362   0.017   1.920   4.803 -0.8379  0.5951 -0.3398
+  597SOL    HW1 3363   0.022   2.012   4.777 -1.2440  1.0646  1.1919
+  597SOL    HW2 3364  -0.044   1.919   4.877 -0.9176 -0.9249 -0.4052
+  598SOL     OW 3365   4.111   1.031   2.173  0.3947 -0.1375 -0.0796
+  598SOL    HW1 3366   4.173   0.972   2.215  1.0346  1.0429  0.6665
+  598SOL    HW2 3367   4.156   1.062   2.095 -0.3360 -1.4039 -1.0345
+  599SOL     OW 3368   0.544   2.101   4.844  0.3943 -0.9250 -0.4433
+  599SOL    HW1 3369   0.454   2.133   4.840  0.6428 -0.1832 -0.2085
+  599SOL    HW2 3370   0.545   2.040   4.917  0.3053 -0.1739  0.2006
+  600SOL     OW 3371   1.355   7.602   2.295 -0.1790 -0.0936  0.0958
+  600SOL    HW1 3372   1.326   7.511   2.299  0.6612 -0.4542 -1.5365
+  600SOL    HW2 3373   1.350   7.625   2.202  1.3922  0.9235  0.2330
+  601SOL     OW 3374   0.285   7.660   3.942  0.8659  0.3734 -0.2894
+  601SOL    HW1 3375   0.207   7.704   3.910  1.8386  2.2976 -0.0737
+  601SOL    HW2 3376   0.328   7.626   3.863  1.9914  2.9875 -0.8562
+  602SOL     OW 3377   7.808   6.888   2.735 -0.9613  1.1862 -0.1407
+  602SOL    HW1 3378   7.734   6.828   2.724 -2.3836  2.5057  1.8331
+  602SOL    HW2 3379   7.792   6.957   2.671 -1.5014  1.4984  0.3183
+  603SOL     OW 3380   1.179   6.933   3.526 -0.2075  0.5312  0.5895
+  603SOL    HW1 3381   1.107   6.904   3.470  0.6651 -1.2539  0.3386
+  603SOL    HW2 3382   1.217   7.008   3.480 -1.4529  1.0324  0.3652
+  604SOL     OW 3383   7.837   1.145   3.639  0.5237  0.2025  0.2684
+  604SOL    HW1 3384   7.751   1.109   3.663  0.8889 -0.4902  0.5595
+  604SOL    HW2 3385   7.821   1.238   3.628  0.2660  0.5258  2.9215
+  605SOL     OW 3386   7.842   3.759   4.264 -0.0920  0.1000  0.0335
+  605SOL    HW1 3387   7.933   3.789   4.267 -0.3125  1.0706 -1.8983
+  605SOL    HW2 3388   7.843   3.684   4.205 -0.6521  0.5900 -0.6125
+  606SOL     OW 3389   1.628   1.769   2.990  0.4978  0.2818  0.4989
+  606SOL    HW1 3390   1.636   1.848   3.043  0.2481  0.7436 -0.1437
+  606SOL    HW2 3391   1.536   1.767   2.964  0.8084  0.5399 -0.6536
+  607SOL     OW 3392   1.002   1.672   2.827  0.1892  0.7714  0.3767
+  607SOL    HW1 3393   0.931   1.675   2.763 -0.2393  1.2604  0.8640
+  607SOL    HW2 3394   1.060   1.744   2.802  0.5125  0.3750 -0.0183
+  608SOL     OW 3395   7.777   1.209   6.096  0.8308  0.3131  0.0626
+  608SOL    HW1 3396   7.833   1.136   6.124  0.1558  0.2702  1.3769
+  608SOL    HW2 3397   7.825   1.251   6.026  2.5615  0.3300  1.2223
+  609SOL     OW 3398   0.525   0.961   3.605  0.3118  0.3944 -0.6120
+  609SOL    HW1 3399   0.612   0.982   3.572  0.3272  0.0986 -0.7607
+  609SOL    HW2 3400   0.493   0.892   3.546  0.0259  0.4208 -0.4883
+  610SOL     OW 3401   0.079   7.825   3.639  0.5038 -0.3448  0.0344
+  610SOL    HW1 3402   0.102   7.735   3.616  1.9465  0.1524 -0.5621
+  610SOL    HW2 3403   0.070   7.825   3.734 -0.5894 -1.3463 -0.0571
+  611SOL     OW 3404   0.216   0.436   1.889  0.1788  0.5722 -0.7965
+  611SOL    HW1 3405   0.218   0.506   1.954 -0.7975 -0.4852  0.4285
+  611SOL    HW2 3406   0.147   0.461   1.828  0.3532  1.0526 -0.7925
+  612SOL     OW 3407   0.790   1.965   1.684 -0.3642 -0.0901  0.3919
+  612SOL    HW1 3408   0.722   1.988   1.747  1.1060  1.0832  1.5909
+  612SOL    HW2 3409   0.742   1.942   1.604 -2.1473  0.8917  1.1483
+  613SOL     OW 3410   3.294   0.191   1.172  0.1783  0.1837 -0.6232
+  613SOL    HW1 3411   3.301   0.122   1.106 -0.2578  0.8691 -1.3883
+  613SOL    HW2 3412   3.200   0.212   1.175 -0.1486 -1.3626  1.7852
+  614SOL     OW 3413   2.221   7.487   0.972  0.1164  0.1243  0.1012
+  614SOL    HW1 3414   2.177   7.408   1.003 -0.2809  0.1955 -0.2834
+  614SOL    HW2 3415   2.299   7.493   1.027 -0.4627  0.1184  0.9308
+  615SOL     OW 3416   0.204   1.016   2.786  0.2614  0.0644  0.7399
+  615SOL    HW1 3417   0.215   1.097   2.837 -0.4076 -0.1518  1.2354
+  615SOL    HW2 3418   0.147   0.962   2.840  1.3649 -1.0773  0.7956
+  616SOL     OW 3419   1.546   1.364   1.583  0.5478  0.5399 -0.3340
+  616SOL    HW1 3420   1.600   1.356   1.661  1.6851  0.8824 -1.0685
+  616SOL    HW2 3421   1.458   1.381   1.616  0.5944 -1.4932  0.9167
+  617SOL     OW 3422   1.356   7.088   0.839  0.2000  0.0502  0.4286
+  617SOL    HW1 3423   1.289   7.026   0.867  0.9252 -1.0749 -0.3090
+  617SOL    HW2 3424   1.306   7.165   0.810 -0.7527 -0.6198  0.2608
+  618SOL     OW 3425   1.537   1.105   1.482  0.8831 -0.4040 -0.0411
+  618SOL    HW1 3426   1.513   1.110   1.390  0.0890  1.0606  0.2173
+  618SOL    HW2 3427   1.549   1.197   1.508 -1.9182 -0.5866  2.0638
+  619SOL     OW 3428   1.050   1.501   4.811  0.0102  0.3884 -0.2113
+  619SOL    HW1 3429   0.966   1.456   4.799 -0.4040  1.4978 -1.6809
+  619SOL    HW2 3430   1.064   1.501   4.905 -1.5355 -0.0229  0.0319
+  620SOL     OW 3431   0.564   1.033   2.700 -0.7572 -0.9657  0.2451
+  620SOL    HW1 3432   0.590   1.023   2.608 -0.2601 -0.2682  0.3072
+  620SOL    HW2 3433   0.558   1.128   2.713  1.2867 -0.9803  1.5250
+  621SOL     OW 3434   2.446   2.301   3.963 -0.6339  0.2512  0.1020
+  621SOL    HW1 3435   2.529   2.323   4.005 -0.4755  0.7950 -0.4852
+  621SOL    HW2 3436   2.452   2.207   3.946 -0.2753  0.2259  0.3596
+  622SOL     OW 3437   2.557   2.165   3.284 -0.1622 -0.5886 -0.0661
+  622SOL    HW1 3438   2.505   2.205   3.354  0.5240 -0.4756  0.3843
+  622SOL    HW2 3439   2.575   2.236   3.223  0.3329 -0.3954  0.3009
+  623SOL     OW 3440   1.259   0.797   3.426  0.3170 -0.0588 -0.2158
+  623SOL    HW1 3441   1.196   0.808   3.497 -1.2636  1.7452 -1.8446
+  623SOL    HW2 3442   1.207   0.803   3.346  2.3045 -0.3226 -1.5720
+  624SOL     OW 3443   1.020   1.390   4.268  0.3914 -0.0444  0.1774
+  624SOL    HW1 3444   1.059   1.441   4.197 -0.5096  1.4057  0.6998
+  624SOL    HW2 3445   0.985   1.312   4.226  0.7167  0.3499 -0.8294
+  625SOL     OW 3446   7.728   1.736   1.073  0.1934  1.0085 -0.2196
+  625SOL    HW1 3447   7.699   1.763   1.160 -0.7555 -0.7581  0.0413
+  625SOL    HW2 3448   7.797   1.673   1.089 -1.4573 -0.9703 -0.6659
+  626SOL     OW 3449   0.411   1.915   5.003  0.4492  0.0446  0.3861
+  626SOL    HW1 3450   0.333   1.864   4.978  0.6270  0.7222 -1.6462
+  626SOL    HW2 3451   0.482   1.851   5.003  0.3244 -0.0964 -0.1998
+  627SOL     OW 3452   1.179   0.877   1.514  0.3062 -0.0423  0.0433
+  627SOL    HW1 3453   1.198   0.876   1.420  1.9613  1.6137  0.3318
+  627SOL    HW2 3454   1.116   0.947   1.526  1.3748  0.8762  0.3777
+  628SOL     OW 3455   7.273   1.434   3.702  0.0482  0.0145 -0.8093
+  628SOL    HW1 3456   7.250   1.524   3.679  0.9719  0.8694  1.4502
+  628SOL    HW2 3457   7.195   1.400   3.747  0.6987  0.6686  0.8659
+  629SOL     OW 3458   1.098   2.234   1.133  0.0711  0.0284  0.3068
+  629SOL    HW1 3459   1.189   2.258   1.121 -0.1088  0.7813  0.4460
+  629SOL    HW2 3460   1.049   2.295   1.077 -0.3298 -0.5228  0.0473
+  630SOL     OW 3461   0.434   7.420   4.677 -0.4089 -0.4364  0.6581
+  630SOL    HW1 3462   0.458   7.369   4.754  0.2694  0.7910  1.2733
+  630SOL    HW2 3463   0.511   7.415   4.620 -0.2234  0.1631  0.8571
+  631SOL     OW 3464   1.085   0.922   2.281  0.3883  0.0466  0.0728
+  631SOL    HW1 3465   1.165   0.891   2.323  0.8342  2.3486  1.0031
+  631SOL    HW2 3466   1.108   1.008   2.246 -1.1172 -0.1456 -1.4283
+  632SOL     OW 3467   0.553   1.967   2.859 -0.7060 -0.1207 -0.4627
+  632SOL    HW1 3468   0.618   2.009   2.803 -0.3008  0.5740  0.5215
+  632SOL    HW2 3469   0.604   1.919   2.924 -1.1718 -1.3307 -0.9640
+  633SOL     OW 3470   0.053   0.882   2.976 -0.0622 -0.7848  0.1162
+  633SOL    HW1 3471   0.035   0.790   2.957 -2.8573  0.0415 -1.4412
+  633SOL    HW2 3472   0.004   0.900   3.056  0.2970 -0.5535  0.2876
+  634SOL     OW 3473   7.598   2.124   3.139 -0.3848 -0.0430  0.2743
+  634SOL    HW1 3474   7.545   2.105   3.216  0.0776 -0.6311  0.4544
+  634SOL    HW2 3475   7.590   2.045   3.085 -0.2882  0.1612 -0.0403
+  635SOL     OW 3476   1.814   7.937   3.935  0.0377 -0.3054  0.6049
+  635SOL    HW1 3477   1.759   7.901   4.004 -0.0359  0.9237  1.1977
+  635SOL    HW2 3478   1.902   7.940   3.974 -0.1630  1.2064  0.9563
+  636SOL     OW 3479   0.640   1.433   4.637 -0.9862 -0.2438  0.2672
+  636SOL    HW1 3480   0.625   1.339   4.632 -0.6500 -0.3652  1.4466
+  636SOL    HW2 3481   0.671   1.457   4.550  0.5640 -1.5212  0.4415
+  637SOL     OW 3482   2.284   1.510   4.945 -0.2679  0.5521  0.6246
+  637SOL    HW1 3483   2.197   1.486   4.913 -0.0423  1.8046 -0.9432
+  637SOL    HW2 3484   2.332   1.427   4.946 -0.8328  0.1962 -0.5705
+  638SOL     OW 3485   7.460   1.507   2.845  0.2740  0.2554 -0.0438
+  638SOL    HW1 3486   7.425   1.587   2.885 -0.7065 -1.1551  1.9670
+  638SOL    HW2 3487   7.387   1.471   2.795  1.0002  1.0997 -1.7656
+  639SOL     OW 3488   6.609   4.465   0.474 -0.2286 -0.1108  0.3268
+  639SOL    HW1 3489   6.699   4.488   0.498 -0.0579  0.0910 -0.4715
+  639SOL    HW2 3490   6.570   4.430   0.554  0.2587  0.7050  0.9222
+  640SOL     OW 3491   1.392   0.337   2.445 -0.2224  0.3569  0.1625
+  640SOL    HW1 3492   1.351   0.295   2.369  0.6845  1.1918 -0.8169
+  640SOL    HW2 3493   1.368   0.429   2.436  0.3261  0.5431  0.6116
+  641SOL     OW 3494   0.145   1.728   3.655  0.1264  0.3284  0.5645
+  641SOL    HW1 3495   0.148   1.663   3.586 -0.9137  1.6587 -0.7772
+  641SOL    HW2 3496   0.052   1.739   3.674  0.3777  0.2738  1.9079
+  642SOL     OW 3497   0.668   0.714   4.000  0.4334 -0.1161  0.2023
+  642SOL    HW1 3498   0.622   0.786   4.042  0.4398 -0.4034  0.7029
+  642SOL    HW2 3499   0.685   0.652   4.070  1.9250  0.1553  0.1017
+  643SOL     OW 3500   1.956   1.365   4.170 -0.1432  0.7973 -0.0119
+  643SOL    HW1 3501   1.981   1.453   4.141  0.2304  0.0566 -1.9970
+  643SOL    HW2 3502   2.032   1.311   4.151 -1.0398 -0.3146 -0.4849
+  644SOL     OW 3503   7.918   1.114   2.042  0.4809  0.2380 -0.1731
+  644SOL    HW1 3504   8.004   1.133   2.004  0.6939  0.4333  0.4053
+  644SOL    HW2 3505   7.879   1.200   2.058  0.9651  0.2005  1.3423
+  645SOL     OW 3506   2.733   1.896   4.098  0.1969  0.3563  0.5676
+  645SOL    HW1 3507   2.740   1.905   4.003 -2.0849 -2.0695  0.0864
+  645SOL    HW2 3508   2.762   1.806   4.115 -1.0458  0.2120  1.9742
+  646SOL     OW 3509   7.588   7.910   3.743 -0.3350  0.2857 -0.3637
+  646SOL    HW1 3510   7.603   7.944   3.832 -0.9174  0.0077 -0.1558
+  646SOL    HW2 3511   7.548   7.824   3.757 -1.3986  0.6820 -0.8835
+  647SOL     OW 3512   1.422   7.690   1.655 -0.4524 -0.6963 -0.5959
+  647SOL    HW1 3513   1.348   7.746   1.633 -0.9239 -0.7750  0.7464
+  647SOL    HW2 3514   1.497   7.749   1.661 -0.6622 -0.4276 -0.6422
+  648SOL     OW 3515   1.362   7.283   1.089  0.6836  0.5870  0.6251
+  648SOL    HW1 3516   1.446   7.244   1.067 -0.0857  0.4950 -2.3320
+  648SOL    HW2 3517   1.330   7.321   1.007 -2.5746 -0.1464  1.4593
+  649SOL     OW 3518   0.543   0.583   3.790 -0.3919  0.4067  0.2307
+  649SOL    HW1 3519   0.587   0.646   3.846 -1.4009  1.4898 -0.1675
+  649SOL    HW2 3520   0.457   0.572   3.830  0.1964 -1.6724  0.9934
+  650SOL     OW 3521   1.620   1.694   2.716 -0.3823  0.3332  0.2726
+  650SOL    HW1 3522   1.564   1.772   2.714 -0.7852  0.0683  1.0374
+  650SOL    HW2 3523   1.668   1.701   2.798  1.1008  0.8178 -0.6154
+  651SOL     OW 3524   1.500   1.581   3.669 -0.3014  0.5920  0.3939
+  651SOL    HW1 3525   1.420   1.617   3.707 -0.8647 -1.3786  1.1451
+  651SOL    HW2 3526   1.517   1.502   3.720  1.1269  0.0238 -0.9262
+  652SOL     OW 3527   7.433   6.077   1.025  0.3625  0.0224 -0.1294
+  652SOL    HW1 3528   7.485   5.997   1.024  0.1723 -0.1081  0.4425
+  652SOL    HW2 3529   7.368   6.064   0.955  1.7007  0.5980 -1.5112
+  653SOL     OW 3530   2.732   7.497   0.987  0.1188  0.1528 -0.1127
+  653SOL    HW1 3531   2.639   7.512   1.003 -0.0729  0.8569 -1.8134
+  653SOL    HW2 3532   2.774   7.577   1.017 -0.1462  1.0871 -2.1654
+  654SOL     OW 3533   0.657   1.938   3.416 -0.1350  0.0284  0.7204
+  654SOL    HW1 3534   0.694   1.929   3.328 -0.8103 -0.4065  0.4804
+  654SOL    HW2 3535   0.648   2.032   3.429  1.6430  0.1690  1.0257
+  655SOL     OW 3536   6.445   0.340   1.349  0.2435 -0.2094 -0.0084
+  655SOL    HW1 3537   6.490   0.404   1.292 -0.6097 -0.1826 -0.6574
+  655SOL    HW2 3538   6.413   0.273   1.288 -2.0214  0.6042  0.2498
+  656SOL     OW 3539   1.908   7.158   2.288  0.0762 -0.1737  0.3836
+  656SOL    HW1 3540   1.844   7.130   2.353 -1.0742 -0.1596 -0.7148
+  656SOL    HW2 3541   1.955   7.078   2.265 -1.1499 -0.6641 -0.5136
+  657SOL     OW 3542   1.756   0.692   2.515 -0.8092 -0.0769  0.2610
+  657SOL    HW1 3543   1.751   0.619   2.453 -0.7515  0.1772 -0.0437
+  657SOL    HW2 3544   1.794   0.654   2.594 -1.8030 -0.6206  0.4815
+  658SOL     OW 3545   1.883   1.008   3.295  0.0716  0.1852 -0.1031
+  658SOL    HW1 3546   1.898   1.087   3.346 -0.6088 -0.0295  0.4354
+  658SOL    HW2 3547   1.840   0.948   3.356 -0.1105 -0.3244 -0.7315
+  659SOL     OW 3548   6.045   1.716   1.780 -0.2746 -0.2899  0.0792
+  659SOL    HW1 3549   6.033   1.791   1.721 -0.6296  0.4860  1.1311
+  659SOL    HW2 3550   6.107   1.660   1.734 -0.4727  0.3462 -1.0003
+  660SOL     OW 3551   7.832   2.063   1.654  0.1660  0.0887 -0.3228
+  660SOL    HW1 3552   7.797   2.149   1.677 -0.4646  0.2207 -1.7010
+  660SOL    HW2 3553   7.776   2.001   1.701  0.6165  0.4202  0.6628
+  661SOL     OW 3554   7.966   0.527   3.985 -0.0633 -0.3436  0.0727
+  661SOL    HW1 3555   7.960   0.482   3.901 -0.1048 -1.2571  0.5528
+  661SOL    HW2 3556   7.997   0.615   3.963  0.9714 -0.9051 -0.7938
+  662SOL     OW 3557   0.927   0.072   5.178 -0.8460 -0.2653  0.3382
+  662SOL    HW1 3558   0.936   0.082   5.083 -1.4356 -1.4215  0.1533
+  662SOL    HW2 3559   1.004   0.116   5.214  1.1638 -2.7227 -0.8308
+  663SOL     OW 3560   7.967   1.473   6.196 -0.2054 -0.3014  0.7406
+  663SOL    HW1 3561   8.005   1.558   6.175  0.2558 -0.8916 -0.9202
+  663SOL    HW2 3562   7.939   1.438   6.111  1.0890 -2.4829  1.1756
+  664SOL     OW 3563   7.820   0.881   2.217 -0.2553 -0.2692  0.4140
+  664SOL    HW1 3564   7.847   0.886   2.125 -2.0861 -1.8752 -0.2386
+  664SOL    HW2 3565   7.858   0.959   2.257  0.2866  0.6347 -1.7765
+  665SOL     OW 3566   1.388   1.969   3.426  0.0353 -0.0040 -0.3121
+  665SOL    HW1 3567   1.362   1.944   3.515  1.2219  0.1970  0.0901
+  665SOL    HW2 3568   1.378   2.065   3.424 -1.2432 -0.1343 -0.8084
+  666SOL     OW 3569   1.288   7.330   2.344  0.8049  0.2356  0.5518
+  666SOL    HW1 3570   1.251   7.253   2.300  1.6347 -0.7505  1.5629
+  666SOL    HW2 3571   1.382   7.320   2.335  0.9291  1.0366  0.8802
+  667SOL     OW 3572   1.581   7.745   2.362 -0.2821 -0.3745  0.2774
+  667SOL    HW1 3573   1.496   7.709   2.338 -0.5311 -1.4741  2.7374
+  667SOL    HW2 3574   1.643   7.675   2.340 -0.0692  0.1178 -0.7462
+  668SOL     OW 3575   0.597   7.652   4.164  0.3346  0.0538 -0.0427
+  668SOL    HW1 3576   0.534   7.579   4.169  1.7713 -1.1600  0.7499
+  668SOL    HW2 3577   0.633   7.647   4.076 -0.6826  0.7774 -0.5127
+  669SOL     OW 3578   7.921   0.663   0.815 -0.0066  0.3766  0.6709
+  669SOL    HW1 3579   7.994   0.655   0.876 -0.2833 -0.0471  0.9435
+  669SOL    HW2 3580   7.890   0.753   0.827  1.1158  0.8811 -0.1804
+  670SOL     OW 3581   1.781   1.087   3.829 -0.2517 -0.0530  0.3492
+  670SOL    HW1 3582   1.810   1.178   3.818  0.9808 -0.5480 -0.6415
+  670SOL    HW2 3583   1.799   1.068   3.922  1.5253  0.0513  0.0494
+  671SOL     OW 3584   7.834   0.147   1.686  0.1374  0.1805 -0.2929
+  671SOL    HW1 3585   7.859   0.055   1.677 -0.6936 -0.0385 -0.4155
+  671SOL    HW2 3586   7.800   0.171   1.600 -1.8476 -0.0825  0.4004
+  672SOL     OW 3587   0.975   0.298   3.523  0.3225  0.1565 -0.0912
+  672SOL    HW1 3588   0.943   0.213   3.552 -0.9731  0.9848  0.9542
+  672SOL    HW2 3589   0.928   0.316   3.442  0.4242 -0.0144 -0.1882
+  673SOL     OW 3590   1.730   0.772   3.775  0.0091  0.5529  0.7175
+  673SOL    HW1 3591   1.759   0.854   3.735  0.4244  0.3402  0.5784
+  673SOL    HW2 3592   1.635   0.783   3.786 -0.0795  0.7037 -0.1253
+  674SOL     OW 3593   1.300   2.063   3.676  0.1228 -0.3736  0.6400
+  674SOL    HW1 3594   1.338   2.150   3.672  1.0744 -0.8717 -2.8827
+  674SOL    HW2 3595   1.207   2.077   3.660  0.6680 -0.1631 -2.7704
+  675SOL     OW 3596   2.077   1.482   2.698 -0.2634  0.6688 -0.1310
+  675SOL    HW1 3597   2.160   1.518   2.669 -1.0555  1.1960 -1.8114
+  675SOL    HW2 3598   2.079   1.490   2.793  0.2308  3.6690 -0.3670
+  676SOL     OW 3599   2.551   1.575   2.598  0.0969  0.0681 -0.4087
+  676SOL    HW1 3600   2.645   1.558   2.600  0.0267 -0.2470  1.2734
+  676SOL    HW2 3601   2.517   1.529   2.675 -1.5877 -0.7155 -1.5966
+  677SOL     OW 3602   0.646   1.738   4.461 -0.9227 -0.0883  0.1902
+  677SOL    HW1 3603   0.569   1.788   4.490 -2.3074 -2.0728  0.0670
+  677SOL    HW2 3604   0.609   1.666   4.409  1.1971  0.3494 -1.9788
+  678SOL     OW 3605   7.815   1.432   3.624 -0.3085 -0.1781  0.3810
+  678SOL    HW1 3606   7.728   1.418   3.587 -1.0021  0.2319  1.7950
+  678SOL    HW2 3607   7.810   1.518   3.666  1.3179  0.6145 -0.9978
+  679SOL     OW 3608   2.251   6.719   1.749 -0.5044 -0.3638  0.0274
+  679SOL    HW1 3609   2.329   6.679   1.711 -0.6194 -1.0326  0.4784
+  679SOL    HW2 3610   2.189   6.725   1.677 -0.2401 -0.3678 -0.1978
+  680SOL     OW 3611   2.073   2.616   2.346 -0.0693 -0.4835 -0.1731
+  680SOL    HW1 3612   2.136   2.649   2.282 -0.9332  0.2652 -0.6494
+  680SOL    HW2 3613   2.012   2.562   2.296 -1.3107  0.8796 -0.1737
+  681SOL     OW 3614   7.475   2.494   5.160 -0.0204 -0.2910 -0.0360
+  681SOL    HW1 3615   7.510   2.558   5.222  1.3383 -1.0396 -0.0123
+  681SOL    HW2 3616   7.403   2.539   5.117  0.4237  0.9855  0.5452
+  682SOL     OW 3617   7.936   2.016   1.087  0.2175 -0.0086  0.7329
+  682SOL    HW1 3618   7.857   1.962   1.077  1.2188 -1.2751 -0.6038
+  682SOL    HW2 3619   7.903   2.102   1.110 -1.5506 -0.6399  0.6554
+  683SOL     OW 3620   2.007   7.109   3.940 -0.9242  0.6282  0.0770
+  683SOL    HW1 3621   1.938   7.149   3.887  0.2460  1.5465 -0.7757
+  683SOL    HW2 3622   2.086   7.159   3.918  0.1807 -0.9440  0.4098
+  684SOL     OW 3623   0.938   1.722   3.353  0.5147 -0.3742 -0.0299
+  684SOL    HW1 3624   0.878   1.781   3.307 -0.0400  0.4692  1.7067
+  684SOL    HW2 3625   1.014   1.714   3.296  0.7480  2.3106 -0.1434
+  685SOL     OW 3626   0.853   0.990   3.198 -0.3433 -0.5002 -0.2835
+  685SOL    HW1 3627   0.867   1.062   3.136 -0.7606  1.3109  1.6636
+  685SOL    HW2 3628   0.758   0.979   3.200 -0.3410 -0.4630  0.1149
+  686SOL     OW 3629   7.346   2.163   3.522  0.5184  0.3220 -0.1342
+  686SOL    HW1 3630   7.366   2.254   3.542  1.2860 -0.3146  2.2307
+  686SOL    HW2 3631   7.318   2.125   3.606 -0.3386 -1.4754 -1.1875
+  687SOL     OW 3632   0.040   7.697   4.881 -0.8554 -0.3874  0.2653
+  687SOL    HW1 3633  -0.003   7.710   4.797 -0.3317  0.8505  0.1822
+  687SOL    HW2 3634   0.081   7.610   4.874  0.2224  0.2167 -1.2139
+  688SOL     OW 3635   2.252   2.170   3.126  0.1229 -0.0879 -0.1614
+  688SOL    HW1 3636   2.248   2.218   3.210 -0.8825 -1.9166  0.8720
+  688SOL    HW2 3637   2.314   2.099   3.142 -1.7938 -1.8191 -0.2081
+  689SOL     OW 3638   0.671   0.659   3.214 -0.1337  0.1847 -0.2043
+  689SOL    HW1 3639   0.632   0.746   3.205 -2.0238 -0.4902  1.3793
+  689SOL    HW2 3640   0.722   0.664   3.294  1.6915  0.5245 -1.3524
+  690SOL     OW 3641   7.351   7.738   0.833 -0.8342  0.4222 -0.2201
+  690SOL    HW1 3642   7.295   7.665   0.808 -0.8325  0.0236  0.9312
+  690SOL    HW2 3643   7.399   7.760   0.754 -1.5086 -0.2221 -0.8110
+  691SOL     OW 3644   0.914   0.240   2.299 -0.1616  0.4712  0.2136
+  691SOL    HW1 3645   0.958   0.319   2.330  0.2259 -0.0159  0.8998
+  691SOL    HW2 3646   0.824   0.249   2.331  0.5126 -0.5529  2.4215
+  692SOL     OW 3647   7.665   3.016   2.670 -0.2388 -0.3284  0.0295
+  692SOL    HW1 3648   7.696   2.958   2.601  1.1055 -1.9572  1.9452
+  692SOL    HW2 3649   7.586   3.057   2.633  0.7659 -0.7152 -2.6476
+  693SOL     OW 3650   0.529   7.935   4.127 -0.2284 -0.0845  0.3685
+  693SOL    HW1 3651   0.547   7.845   4.100 -1.4472 -0.2324  0.0412
+  693SOL    HW2 3652   0.436   7.935   4.152  0.1546  0.7060  1.8920
+  694SOL     OW 3653   1.518   0.801   0.777 -0.3071  0.9454 -0.1084
+  694SOL    HW1 3654   1.465   0.721   0.770  1.4118 -0.2547  0.2428
+  694SOL    HW2 3655   1.494   0.838   0.862 -1.6799  1.2373 -0.6052
+  695SOL     OW 3656   1.017   7.957   2.439  0.2667 -0.8206 -0.1398
+  695SOL    HW1 3657   1.003   7.996   2.353  1.2532  1.5915  0.7699
+  695SOL    HW2 3658   0.931   7.961   2.482 -0.2943 -2.2785 -1.0695
+  696SOL     OW 3659   7.746   1.456   2.379 -0.2636  0.4084 -0.2777
+  696SOL    HW1 3660   7.685   1.469   2.451 -0.3212 -1.2579 -0.0053
+  696SOL    HW2 3661   7.829   1.492   2.412 -0.9729  2.2922 -0.4972
+  697SOL     OW 3662   2.241   0.459   3.867  0.5300  0.4446  0.0152
+  697SOL    HW1 3663   2.174   0.404   3.826 -0.1062  0.9724  0.3405
+  697SOL    HW2 3664   2.262   0.414   3.948  0.0529  0.6501  0.2534
+  698SOL     OW 3665   6.822   1.625   2.476  0.1692 -0.4157  0.1208
+  698SOL    HW1 3666   6.824   1.705   2.423 -0.9757  1.8081  3.2111
+  698SOL    HW2 3667   6.913   1.597   2.481  0.9111  1.9467  0.6503
+  699SOL     OW 3668   0.169   0.109   2.484 -0.0924  0.0433  0.2643
+  699SOL    HW1 3669   0.221   0.112   2.404  0.9145 -1.1581  0.8497
+  699SOL    HW2 3670   0.141   0.199   2.499 -0.5138  0.2275 -1.5792
+  700SOL     OW 3671   7.686   0.697   3.127 -0.4014 -0.6114 -0.5429
+  700SOL    HW1 3672   7.764   0.753   3.126  0.2534 -1.4996 -0.4732
+  700SOL    HW2 3673   7.714   0.620   3.178 -1.3864 -0.8510 -0.3642
+  701SOL     OW 3674   7.880   1.124   3.141  0.4033 -0.5721 -0.3012
+  701SOL    HW1 3675   7.794   1.154   3.172 -0.1292 -0.0376 -2.2139
+  701SOL    HW2 3676   7.875   1.132   3.046  2.6362 -0.4029 -0.4275
+  702SOL     OW 3677   0.517   7.825   2.383  0.2996 -0.0101 -0.0069
+  702SOL    HW1 3678   0.535   7.732   2.393  0.2604  0.1416  1.5950
+  702SOL    HW2 3679   0.437   7.840   2.434 -0.6556  0.5850 -1.6317
+  703SOL     OW 3680   1.485   0.266   3.303 -0.1098 -0.3774 -0.3215
+  703SOL    HW1 3681   1.513   0.246   3.392 -0.4613 -0.4874 -0.2334
+  703SOL    HW2 3682   1.528   0.349   3.282 -0.6733  0.0688  0.2520
+  704SOL     OW 3683   0.511   7.711   1.624  0.6353 -0.0393 -0.3835
+  704SOL    HW1 3684   0.594   7.743   1.661  1.2083 -1.0620 -0.7638
+  704SOL    HW2 3685   0.486   7.639   1.682  0.3966 -0.2203 -0.7152
+  705SOL     OW 3686   7.350   1.488   3.139  0.3039 -0.1269  0.3244
+  705SOL    HW1 3687   7.258   1.463   3.151  0.0352  1.0547  0.7253
+  705SOL    HW2 3688   7.399   1.413   3.171 -0.5265 -1.5929 -1.6820
+  706SOL     OW 3689   1.061   3.198   1.567 -0.4502 -0.2972  0.1995
+  706SOL    HW1 3690   1.031   3.213   1.657  3.9055 -0.4104  1.7960
+  706SOL    HW2 3691   1.098   3.282   1.540  1.0102 -1.1034 -0.3407
+  707SOL     OW 3692   7.844   7.321   4.866 -0.1279 -0.3259  0.2833
+  707SOL    HW1 3693   7.863   7.228   4.853 -0.9985 -0.3390 -0.9134
+  707SOL    HW2 3694   7.750   7.329   4.850 -0.0774  0.7427  0.4823
+  708SOL     OW 3695   0.441   1.293   4.298 -0.4150  0.0498  0.1236
+  708SOL    HW1 3696   0.441   1.384   4.329  0.4720  1.0333 -2.6144
+  708SOL    HW2 3697   0.529   1.260   4.318  0.2876  0.8093 -1.5698
+  709SOL     OW 3698   0.303   1.401   3.600 -0.4419  0.1725  0.4242
+  709SOL    HW1 3699   0.227   1.446   3.563 -0.6627 -0.3193  0.2663
+  709SOL    HW2 3700   0.366   1.397   3.528 -0.8460 -0.7260  0.1047
+  710SOL     OW 3701   0.043   1.008   3.552 -0.0723  0.0646 -0.2267
+  710SOL    HW1 3702  -0.040   1.055   3.561  0.8861  1.3981  2.0519
+  710SOL    HW2 3703   0.110   1.077   3.553  1.1499 -1.0908 -0.5961
+  711SOL     OW 3704   2.581   0.878   2.874  0.1216 -0.2719 -0.2589
+  711SOL    HW1 3705   2.574   0.898   2.780  0.5309 -0.6104 -0.3674
+  711SOL    HW2 3706   2.675   0.862   2.887  0.3206  1.4653  0.5640
+  712SOL     OW 3707   0.061   0.535   4.761 -0.0457 -0.0898 -0.1091
+  712SOL    HW1 3708   0.134   0.578   4.717  0.8943  0.0862  1.5732
+  712SOL    HW2 3709   0.102   0.470   4.818 -1.0652  1.1176  2.0783
+  713SOL     OW 3710   0.369   0.054   2.289 -0.1822 -0.2667 -0.0666
+  713SOL    HW1 3711   0.463   0.074   2.287  0.1220 -1.6470 -0.3283
+  713SOL    HW2 3712   0.362  -0.030   2.245 -1.6279  0.0951 -0.5428
+  714SOL     OW 3713   7.316   7.544   5.566  0.6193  0.5587  0.5972
+  714SOL    HW1 3714   7.254   7.534   5.639  1.3921  0.2981  1.2190
+  714SOL    HW2 3715   7.262   7.576   5.494 -0.0558  1.3739  1.4488
+  715SOL     OW 3716   0.852   0.489   2.580  0.6050  0.2118 -0.1721
+  715SOL    HW1 3717   0.939   0.507   2.544  0.7080  0.5517  0.2325
+  715SOL    HW2 3718   0.865   0.412   2.636  1.0104  1.2455  1.1963
+  716SOL     OW 3719   6.335   2.177   2.597 -0.0027  0.0142  0.0177
+  716SOL    HW1 3720   6.380   2.125   2.664  0.1896  1.0577  0.7167
+  716SOL    HW2 3721   6.376   2.264   2.603 -1.0909  0.5610 -0.3575
+  717SOL     OW 3722   1.572   1.799   5.448 -0.2265  0.2494  0.3342
+  717SOL    HW1 3723   1.482   1.809   5.417  0.3897  1.0327 -1.2663
+  717SOL    HW2 3724   1.592   1.706   5.433  0.0328  0.5924 -1.6391
+  718SOL     OW 3725   7.631   4.181   2.572 -0.5983  0.2602  0.1510
+  718SOL    HW1 3726   7.613   4.173   2.478 -1.5274 -1.4170  0.4507
+  718SOL    HW2 3727   7.561   4.239   2.605 -0.4915  0.5468 -0.1292
+  719SOL     OW 3728   2.745   0.680   3.810  0.2619  0.2656 -0.1816
+  719SOL    HW1 3729   2.791   0.644   3.734  1.7660  0.7037  0.5000
+  719SOL    HW2 3730   2.652   0.670   3.789  0.6417  1.7230 -2.7311
+  720SOL     OW 3731   2.035   3.209   4.943  0.1193  0.5499 -0.1988
+  720SOL    HW1 3732   2.114   3.156   4.958 -1.1921 -1.1422  0.8916
+  720SOL    HW2 3733   2.000   3.177   4.860  0.7604  1.5741 -0.8835
+  721SOL     OW 3734   0.246   1.674   3.059 -0.2908 -0.0353  0.0061
+  721SOL    HW1 3735   0.159   1.635   3.068 -0.3517  0.1448  0.2017
+  721SOL    HW2 3736   0.278   1.681   3.149 -0.7878  1.5150  0.0784
+  722SOL     OW 3737   7.959   1.880   2.903 -0.3788 -0.0206 -0.1589
+  722SOL    HW1 3738   7.958   1.866   2.808  2.0476 -0.9027 -0.0886
+  722SOL    HW2 3739   8.041   1.927   2.919 -0.3792 -0.5892  1.5836
+  723SOL     OW 3740   0.550   1.674   3.460  0.0980 -0.8066 -0.2894
+  723SOL    HW1 3741   0.581   1.763   3.447 -0.9211 -0.5647 -1.1049
+  723SOL    HW2 3742   0.596   1.644   3.539  1.4671 -0.0476 -0.7767
+  724SOL     OW 3743   7.872   1.674   1.770  0.5993 -0.3695  0.5012
+  724SOL    HW1 3744   7.824   1.734   1.713  0.0448 -1.5159 -0.2548
+  724SOL    HW2 3745   7.842   1.695   1.858 -1.1161 -0.9029  0.0564
+  725SOL     OW 3746   1.639   3.338   3.441 -0.0723 -0.2538 -0.1725
+  725SOL    HW1 3747   1.693   3.268   3.405  1.1930  0.7952 -0.3385
+  725SOL    HW2 3748   1.577   3.293   3.499  1.1468 -1.4322  0.2403
+  726SOL     OW 3749   1.170   7.366   4.070 -0.1540 -0.2391  0.5422
+  726SOL    HW1 3750   1.240   7.356   4.135  1.9986 -0.7022 -1.7525
+  726SOL    HW2 3751   1.148   7.276   4.046  1.1424 -0.0701 -1.4381
+  727SOL     OW 3752   0.493   1.484   1.613  0.4668  0.3044 -0.1579
+  727SOL    HW1 3753   0.449   1.477   1.697  0.7447  1.2026  0.0734
+  727SOL    HW2 3754   0.496   1.395   1.579  1.7215 -0.2936  1.4860
+  728SOL     OW 3755   0.118   0.162   1.898 -0.6749  0.3904  0.4375
+  728SOL    HW1 3756   0.161   0.243   1.868  0.4222 -0.0542  0.7981
+  728SOL    HW2 3757   0.029   0.190   1.922 -0.6545  1.2832 -0.4895
+  729SOL     OW 3758   1.473   1.057   4.105 -0.0301 -0.2313 -0.4774
+  729SOL    HW1 3759   1.463   0.964   4.121 -1.0650  0.1122  1.0316
+  729SOL    HW2 3760   1.535   1.087   4.171  0.8096  0.0408 -1.3718
+  730SOL     OW 3761   0.314   1.947   1.616 -0.7204  0.2076 -0.1099
+  730SOL    HW1 3762   0.262   2.026   1.600 -0.8511  0.5811  1.9506
+  730SOL    HW2 3763   0.386   1.977   1.673  0.1526 -0.8446 -0.6313
+  731SOL     OW 3764   7.091   2.077   5.269  0.5724 -0.4812  0.1164
+  731SOL    HW1 3765   7.102   2.056   5.362 -0.6557 -0.0831  0.3625
+  731SOL    HW2 3766   7.162   2.029   5.226  0.9584 -0.9393  1.2216
+  732SOL     OW 3767   0.413   7.698   3.245  0.1024 -0.3981  0.4162
+  732SOL    HW1 3768   0.356   7.744   3.183 -0.7688 -0.5748  1.0823
+  732SOL    HW2 3769   0.406   7.606   3.219 -0.6658 -0.5333  1.0976
+  733SOL     OW 3770   2.625   0.546   2.465 -0.2924 -0.2924 -0.5760
+  733SOL    HW1 3771   2.627   0.641   2.455  1.3463 -0.1513  0.8490
+  733SOL    HW2 3772   2.549   0.518   2.415 -0.3336  1.6940 -1.6659
+  734SOL     OW 3773   2.541   7.494   2.143  0.2621 -0.3092 -0.7777
+  734SOL    HW1 3774   2.546   7.398   2.149 -0.7772 -0.3232 -0.0604
+  734SOL    HW2 3775   2.453   7.512   2.111  0.1444  0.4493 -0.0382
+  735SOL     OW 3776   7.814   0.880   1.939  0.1382 -0.1594  0.3744
+  735SOL    HW1 3777   7.767   0.957   1.972  0.4283 -0.3232  1.1813
+  735SOL    HW2 3778   7.868   0.915   1.868 -1.6083 -0.0689 -0.9535
+  736SOL     OW 3779   0.950   0.312   3.071 -0.7941 -0.4668 -0.7974
+  736SOL    HW1 3780   0.994   0.359   3.143 -1.5956 -0.8960 -0.0234
+  736SOL    HW2 3781   0.878   0.370   3.046 -1.0114 -0.6947 -0.6992
+  737SOL     OW 3782   6.320   1.348   3.453  0.3865  0.4763 -0.1423
+  737SOL    HW1 3783   6.264   1.272   3.435  1.5012 -0.1981 -0.7892
+  737SOL    HW2 3784   6.325   1.351   3.549 -1.7888  1.3225 -0.0158
+  738SOL     OW 3785   0.556   0.277   5.472  0.2397  0.2895 -0.2017
+  738SOL    HW1 3786   0.520   0.270   5.383 -3.2149  0.5187  1.1262
+  738SOL    HW2 3787   0.591   0.366   5.476  1.2891 -0.0362 -1.6317
+  739SOL     OW 3788   7.508   1.266   5.301 -0.2732 -0.2322 -0.4254
+  739SOL    HW1 3789   7.484   1.329   5.369 -1.0293  0.3886 -1.2526
+  739SOL    HW2 3790   7.446   1.282   5.230 -0.8436 -2.2770 -0.4422
+  740SOL     OW 3791   0.865   3.598   4.893 -0.8843  0.6662 -0.0976
+  740SOL    HW1 3792   0.960   3.612   4.889 -0.7657  0.0841  0.6371
+  740SOL    HW2 3793   0.849   3.523   4.836 -1.0511  1.4817 -1.1280
+  741SOL     OW 3794   2.223   2.352   4.113 -0.0731  0.3289 -0.2288
+  741SOL    HW1 3795   2.300   2.346   4.057 -1.1029  0.9708 -1.7380
+  741SOL    HW2 3796   2.247   2.303   4.191  0.8064 -1.9563 -1.8814
+  742SOL     OW 3797   0.062   1.834   4.541 -0.4784 -0.0522  0.3079
+  742SOL    HW1 3798   0.099   1.920   4.521 -0.0897 -0.1638  0.5397
+  742SOL    HW2 3799   0.044   1.837   4.635 -2.5845  0.5812 -0.0846
+  743SOL     OW 3800   0.952   7.203   3.782  0.0715 -0.9287  0.1649
+  743SOL    HW1 3801   0.866   7.165   3.802  0.1469 -1.5222 -0.6102
+  743SOL    HW2 3802   0.953   7.211   3.687  1.2236 -1.7543  0.1047
+  744SOL     OW 3803   0.057   1.290   2.320  0.2456 -0.4778  0.1737
+  744SOL    HW1 3804   0.142   1.265   2.357  0.7929  1.9017  0.6554
+  744SOL    HW2 3805   0.079   1.343   2.243 -0.8643 -2.5107 -1.5804
+  745SOL     OW 3806   1.375   0.599   5.293  0.8930  0.4216 -0.0045
+  745SOL    HW1 3807   1.299   0.542   5.301  0.6240  0.4377 -2.1700
+  745SOL    HW2 3808   1.338   0.688   5.291  1.0915  0.5156  0.4164
+  746SOL     OW 3809   1.343   2.901   4.975  0.4223 -0.2294 -0.2172
+  746SOL    HW1 3810   1.280   2.835   4.946  0.9524 -1.3400  1.0956
+  746SOL    HW2 3811   1.289   2.976   5.002 -0.2660 -0.6987 -0.2806
+  747SOL     OW 3812   1.289   0.871   6.270  0.3261 -0.2759 -0.0279
+  747SOL    HW1 3813   1.353   0.819   6.319 -0.1061 -1.0452 -0.2593
+  747SOL    HW2 3814   1.239   0.806   6.220 -2.1637  0.0734  1.8898
+  748SOL     OW 3815   7.897   2.877   4.718 -0.1632  0.6857 -0.4082
+  748SOL    HW1 3816   7.885   2.970   4.697 -0.9378  1.3044  2.5610
+  748SOL    HW2 3817   7.823   2.855   4.775  1.7905 -0.8322  1.6531
+  749SOL     OW 3818   1.176   7.542   6.582 -0.1854  0.0091  0.5387
+  749SOL    HW1 3819   1.183   7.594   6.661  0.1007  1.2773 -0.3087
+  749SOL    HW2 3820   1.185   7.605   6.510 -0.2337 -1.1404 -0.5024
+  750SOL     OW 3821   0.976   0.299   7.254 -0.3488  0.3445  0.2390
+  750SOL    HW1 3822   0.963   0.234   7.185  0.8590 -1.4492  1.6674
+  750SOL    HW2 3823   0.926   0.266   7.328 -2.4634  2.7714 -0.0079
+  751SOL     OW 3824   0.054   6.778   4.466  0.0468 -0.5790  0.5217
+  751SOL    HW1 3825   0.079   6.770   4.558  0.7749 -0.5762  0.3270
+  751SOL    HW2 3826   0.137   6.778   4.419 -0.2026  1.5099  0.0172
+  752SOL     OW 3827   7.165   0.431   4.827  0.3487 -0.5557  0.4218
+  752SOL    HW1 3828   7.134   0.392   4.908  0.2857 -0.2715  0.5378
+  752SOL    HW2 3829   7.090   0.425   4.767  0.6834 -1.5513  0.1061
+  753SOL     OW 3830   1.144   1.903   4.265  0.3821  0.4497 -0.2797
+  753SOL    HW1 3831   1.128   1.995   4.243 -1.8323  0.4409  1.1550
+  753SOL    HW2 3832   1.057   1.864   4.270  1.2354 -1.3912  0.5827
+  754SOL     OW 3833   0.174   2.541   3.754 -0.1769  0.1617  0.1814
+  754SOL    HW1 3834   0.125   2.501   3.826 -0.3285 -1.7829 -0.9630
+  754SOL    HW2 3835   0.147   2.491   3.677  2.4694  0.0279 -0.6981
+  755SOL     OW 3836   1.705   2.354   6.417  0.0683 -0.6515 -0.2926
+  755SOL    HW1 3837   1.736   2.263   6.417 -0.9066 -0.9854 -0.6050
+  755SOL    HW2 3838   1.611   2.348   6.402  0.0050  0.4202 -0.3861
+  756SOL     OW 3839   0.408   1.153   3.406  0.2839 -0.1511 -0.7492
+  756SOL    HW1 3840   0.435   1.245   3.406 -0.0131 -0.0662 -0.7483
+  756SOL    HW2 3841   0.441   1.119   3.490  1.1554 -0.2665 -1.1322
+  757SOL     OW 3842   6.971   3.850   2.657  0.3983 -0.0677  0.3765
+  757SOL    HW1 3843   7.033   3.801   2.712  0.9891  1.0120  0.6950
+  757SOL    HW2 3844   6.890   3.798   2.660  0.6709 -0.4526  1.6141
+  758SOL     OW 3845   0.908   0.415   6.513  0.0795  0.5818 -0.3346
+  758SOL    HW1 3846   0.833   0.423   6.453  1.4603  0.4970 -2.1002
+  758SOL    HW2 3847   0.909   0.323   6.539  0.5311  0.2344 -1.5757
+  759SOL     OW 3848   0.998   0.503   4.917 -0.1902 -0.8982 -1.1228
+  759SOL    HW1 3849   1.036   0.427   4.873  0.3623 -1.3431  0.1065
+  759SOL    HW2 3850   0.936   0.466   4.980 -0.1503 -0.3235 -0.7444
+  760SOL     OW 3851   1.843   1.367   5.803 -0.0336  0.5095 -0.5475
+  760SOL    HW1 3852   1.798   1.327   5.728 -0.7402  1.1866 -0.4852
+  760SOL    HW2 3853   1.785   1.350   5.877  0.8699 -0.5369 -0.0673
+  761SOL     OW 3854   1.217   0.180   3.448  0.2851  0.3979 -0.5028
+  761SOL    HW1 3855   1.183   0.094   3.424  0.8167  0.3566 -1.1293
+  761SOL    HW2 3856   1.140   0.237   3.449 -0.0477 -0.0597 -0.2224
+  762SOL     OW 3857   0.353   0.891   5.391 -0.1678  0.3521  0.1500
+  762SOL    HW1 3858   0.282   0.954   5.405 -1.2176 -0.9478  0.8194
+  762SOL    HW2 3859   0.312   0.819   5.344  0.6886 -0.4456  0.6161
+  763SOL     OW 3860   2.020   0.139   4.866 -0.3501  0.1770  0.5268
+  763SOL    HW1 3861   1.985   0.157   4.779  0.1408 -0.2372  0.2485
+  763SOL    HW2 3862   1.963   0.189   4.925  0.9975  2.7120 -0.2509
+  764SOL     OW 3863   0.622   1.414   5.478  0.4540 -0.3375  0.1668
+  764SOL    HW1 3864   0.580   1.496   5.453  4.3560  0.9080 -2.8822
+  764SOL    HW2 3865   0.580   1.348   5.424 -0.3688  0.2098  0.1327
+  765SOL     OW 3866   0.791   2.510   3.481  0.1947  0.1605  0.0133
+  765SOL    HW1 3867   0.744   2.589   3.454  0.9331 -0.0003 -1.7512
+  765SOL    HW2 3868   0.864   2.543   3.534 -0.6314  0.5334  0.9444
+  766SOL     OW 3869   0.487   0.667   4.332 -0.2539  0.0747 -0.1005
+  766SOL    HW1 3870   0.494   0.763   4.334 -0.0937  0.1043 -1.7448
+  766SOL    HW2 3871   0.576   0.636   4.345 -0.2826  0.1388  0.2697
+  767SOL     OW 3872   7.836   1.757   3.706 -0.2582  0.2434  0.2187
+  767SOL    HW1 3873   7.769   1.724   3.646  0.2130 -1.1546  0.4238
+  767SOL    HW2 3874   7.787   1.782   3.784 -0.7814  1.2924 -0.4483
+  768SOL     OW 3875   2.569   0.184   4.840  0.1814 -0.3851 -0.1891
+  768SOL    HW1 3876   2.659   0.157   4.859 -0.0904 -0.9380  0.3533
+  768SOL    HW2 3877   2.568   0.277   4.861  0.2021 -0.7328  1.4356
+  769SOL     OW 3878   0.744   0.378   3.343  0.3336 -0.2340  0.5987
+  769SOL    HW1 3879   0.657   0.378   3.381  0.7430 -0.1021  1.5374
+  769SOL    HW2 3880   0.743   0.452   3.282  0.0743  0.3080  1.2575
+  770SOL     OW 3881   4.088   1.030   5.538 -0.0042  0.2534  0.7624
+  770SOL    HW1 3882   4.029   1.098   5.569 -0.6632  0.3315 -0.6043
+  770SOL    HW2 3883   4.152   1.018   5.608 -1.8901 -0.1365  2.4411
+  771SOL     OW 3884   1.459   1.866   5.861 -0.0493 -0.6746  0.1343
+  771SOL    HW1 3885   1.554   1.856   5.852  0.0547  1.1736 -1.0576
+  771SOL    HW2 3886   1.448   1.941   5.919 -0.8059 -1.3828  0.9317
+  772SOL     OW 3887   2.389   0.902   6.177  0.2588  0.1690 -0.3508
+  772SOL    HW1 3888   2.478   0.936   6.166  0.3043  0.8614  1.8040
+  772SOL    HW2 3889   2.358   0.888   6.088  2.0686  1.1170 -1.1794
+  773SOL     OW 3890   3.672   1.766   5.714 -0.4557  0.5638  0.3744
+  773SOL    HW1 3891   3.658   1.762   5.808 -3.1134  0.3071  0.0196
+  773SOL    HW2 3892   3.752   1.818   5.703  1.2144 -1.4279  2.8181
+  774SOL     OW 3893   0.345   0.963   3.825 -0.3021  0.0678 -0.6261
+  774SOL    HW1 3894   0.260   0.981   3.785 -0.9223 -0.2769  0.5093
+  774SOL    HW2 3895   0.408   0.974   3.754 -1.2994  0.2818 -1.4885
+  775SOL     OW 3896   0.826   7.180   4.122 -0.1331 -0.5280 -0.8083
+  775SOL    HW1 3897   0.798   7.168   4.032  1.2595  1.3184 -1.5274
+  775SOL    HW2 3898   0.907   7.131   4.129 -0.1725 -0.5646 -0.6031
+  776SOL     OW 3899   4.162   2.344   3.640  0.1141 -0.0043  0.2324
+  776SOL    HW1 3900   4.124   2.266   3.680 -0.6147  0.0501 -0.3488
+  776SOL    HW2 3901   4.100   2.414   3.659 -0.0874  0.0854 -0.7303
+  777SOL     OW 3902   0.733   0.206   5.686 -0.1297  0.2246  0.1395
+  777SOL    HW1 3903   0.803   0.264   5.716 -0.1705  0.4990 -0.2899
+  777SOL    HW2 3904   0.735   0.213   5.590 -0.5226 -0.0229  0.1093
+  778SOL     OW 3905   2.161   7.334   7.358  0.6665 -0.2773  0.1755
+  778SOL    HW1 3906   2.168   7.253   7.407  0.4941  0.3201  1.1981
+  778SOL    HW2 3907   2.140   7.400   7.424  0.5668  0.5523 -0.6814
+  779SOL     OW 3908   1.598   1.148   4.681 -0.3330  0.1757 -0.2751
+  779SOL    HW1 3909   1.598   1.219   4.745 -0.1275  1.5194 -1.7577
+  779SOL    HW2 3910   1.532   1.173   4.616 -0.8393 -1.3777 -0.3963
+  780SOL     OW 3911   7.959   7.085   3.727  0.1750  0.6232 -0.4658
+  780SOL    HW1 3912   7.927   7.008   3.680 -0.3946  0.8230 -0.4105
+  780SOL    HW2 3913   8.040   7.057   3.767  0.5622  0.3847 -1.4060
+  781SOL     OW 3914   0.034   7.465   3.844 -0.2782  0.6327 -0.1528
+  781SOL    HW1 3915   0.070   7.376   3.852 -1.6590 -0.0778 -1.8135
+  781SOL    HW2 3916   0.059   7.507   3.927  2.6119 -0.4671 -0.3798
+  782SOL     OW 3917   7.825   0.293   7.336 -0.1765 -0.0609 -0.4466
+  782SOL    HW1 3918   7.796   0.371   7.383  0.5129 -0.7112  1.0917
+  782SOL    HW2 3919   7.752   0.272   7.278 -2.0829 -0.6614  2.0843
+  783SOL     OW 3920   1.950   1.947   6.436  0.2198 -0.3753 -0.3348
+  783SOL    HW1 3921   2.018   1.987   6.491 -1.0294 -0.5813  1.4200
+  783SOL    HW2 3922   1.889   2.019   6.419 -0.4159 -0.7823  0.2145
+  784SOL     OW 3923   7.801   1.785   5.633  0.5177 -0.1034 -0.1964
+  784SOL    HW1 3924   7.751   1.791   5.552 -1.8056 -1.8064  1.0587
+  784SOL    HW2 3925   7.866   1.855   5.626 -0.5729  0.7033 -2.8662
+  785SOL     OW 3926   0.477   7.744   7.153  0.9384 -0.4724  0.2303
+  785SOL    HW1 3927   0.390   7.706   7.161  0.1048  1.2242 -0.6482
+  785SOL    HW2 3928   0.500   7.735   7.061  0.9566  0.6290  0.1150
+  786SOL     OW 3929   1.062   6.893   5.520  0.2243  0.0055  0.2825
+  786SOL    HW1 3930   1.064   6.803   5.551  0.8574 -0.5725 -1.3822
+  786SOL    HW2 3931   0.973   6.924   5.540 -0.1696 -1.1651  0.3628
+  787SOL     OW 3932   0.148   0.902   4.240 -0.2674  0.7316 -0.3537
+  787SOL    HW1 3933   0.140   0.984   4.192  1.0388  0.3691 -1.1955
+  787SOL    HW2 3934   0.223   0.915   4.298 -0.6846  0.4863  0.2533
+  788SOL     OW 3935   0.921   0.090   3.684  0.5603 -0.2108  0.3491
+  788SOL    HW1 3936   0.831   0.074   3.654  1.6404  0.4171 -3.5209
+  788SOL    HW2 3937   0.916   0.085   3.779 -3.4499 -0.8421  0.1877
+  789SOL     OW 3938   6.657   1.864   3.738  0.5279 -0.2268 -0.6301
+  789SOL    HW1 3939   6.610   1.799   3.790  0.2255  1.4855  1.3075
+  789SOL    HW2 3940   6.681   1.818   3.657 -2.7684 -1.7037 -0.8504
+  790SOL     OW 3941   0.678   0.539   5.462 -0.4471 -0.3558  0.2170
+  790SOL    HW1 3942   0.771   0.529   5.440 -0.3407 -1.6641  1.1659
+  790SOL    HW2 3943   0.661   0.633   5.454  0.8212 -0.1689 -0.4678
+  791SOL     OW 3944   7.422   1.058   7.906  0.2342 -0.3959 -0.4743
+  791SOL    HW1 3945   7.354   1.105   7.858  1.0837 -0.0266 -1.3288
+  791SOL    HW2 3946   7.486   1.126   7.929 -0.4530 -0.4525  1.7138
+  792SOL     OW 3947   0.174   2.040   4.237  0.0768  0.2452  0.5917
+  792SOL    HW1 3948   0.221   2.111   4.194 -0.0611 -0.4122 -0.6542
+  792SOL    HW2 3949   0.128   2.083   4.310 -0.8856  1.6445 -0.7989
+  793SOL     OW 3950   0.514   1.560   4.290  0.4852  0.4235 -0.2424
+  793SOL    HW1 3951   0.579   1.522   4.230  0.2349  0.5491 -0.5925
+  793SOL    HW2 3952   0.470   1.627   4.239  0.4522  0.7180  0.1675
+  794SOL     OW 3953   7.108   3.819   4.433 -0.1675  0.3343  0.1015
+  794SOL    HW1 3954   7.043   3.889   4.438 -0.7494 -0.3004  1.4873
+  794SOL    HW2 3955   7.064   3.748   4.387  0.5061  0.9442 -1.5311
+  795SOL     OW 3956   1.660   1.363   4.247 -0.5125  0.0684 -0.0408
+  795SOL    HW1 3957   1.653   1.456   4.271  0.8178  0.4022 -0.8687
+  795SOL    HW2 3958   1.748   1.355   4.211 -0.3807 -1.6768  0.6399
+  796SOL     OW 3959   7.364   0.587   5.804 -0.0198 -0.2719  0.4656
+  796SOL    HW1 3960   7.431   0.612   5.740  0.0930  1.1834  1.1237
+  796SOL    HW2 3961   7.385   0.638   5.882 -1.0637 -0.8747  1.1559
+  797SOL     OW 3962   1.811   6.400   4.379 -0.5623 -0.2603 -0.6402
+  797SOL    HW1 3963   1.879   6.388   4.312  1.5652 -2.2120  1.7775
+  797SOL    HW2 3964   1.781   6.311   4.398 -2.7565  0.4646 -0.5566
+  798SOL     OW 3965   0.457   2.250   3.338 -0.5442 -0.4772  0.4165
+  798SOL    HW1 3966   0.550   2.250   3.362 -0.1386 -1.0273 -1.0934
+  798SOL    HW2 3967   0.447   2.329   3.286 -0.0839 -2.2139 -2.4293
+  799SOL     OW 3968   2.403   0.796   4.513 -0.2608  0.1595 -0.2564
+  799SOL    HW1 3969   2.429   0.814   4.423 -1.3875 -0.6792 -0.7636
+  799SOL    HW2 3970   2.458   0.722   4.540  0.8099  1.0784  0.1090
+  800SOL     OW 3971   0.557   2.449   4.332 -0.7467  0.1076  0.0179
+  800SOL    HW1 3972   0.462   2.458   4.327 -0.6788 -0.0967 -2.1178
+  800SOL    HW2 3973   0.571   2.360   4.363 -1.2593  0.2770  0.7310
+  801SOL     OW 3974   1.233   0.907   4.598 -0.0218  0.1443 -0.0147
+  801SOL    HW1 3975   1.174   0.944   4.532  0.3810 -1.2156 -1.1462
+  801SOL    HW2 3976   1.288   0.846   4.550 -0.8899 -2.2126  1.8893
+  802SOL     OW 3977   1.094   1.721   4.670 -0.6783  0.4710 -0.4680
+  802SOL    HW1 3978   1.068   1.634   4.699  1.6517  0.3362  1.3616
+  802SOL    HW2 3979   1.131   1.708   4.583  0.5427 -0.5317  0.1939
+  803SOL     OW 3980   0.558   7.785   6.124  0.2575 -0.3262 -0.0951
+  803SOL    HW1 3981   0.476   7.772   6.172  0.0301  1.5813  0.0751
+  803SOL    HW2 3982   0.536   7.761   6.034 -0.7578  1.0158 -0.2292
+  804SOL     OW 3983   1.644   0.232   3.527 -0.1320 -0.4232  0.5113
+  804SOL    HW1 3984   1.724   0.284   3.524 -0.1303 -0.4580 -0.2813
+  804SOL    HW2 3985   1.659   0.168   3.597  0.7355 -0.7660  0.0206
+  805SOL     OW 3986   1.389   0.267   7.111  0.0146 -0.2943 -0.4519
+  805SOL    HW1 3987   1.371   0.361   7.109 -0.8199 -0.4489 -0.7173
+  805SOL    HW2 3988   1.340   0.232   7.036  0.8058 -0.8623 -0.7165
+  806SOL     OW 3989   0.200   2.640   2.760  0.4006  0.2354 -0.5227
+  806SOL    HW1 3990   0.150   2.649   2.842  2.7909  3.5557  0.6703
+  806SOL    HW2 3991   0.156   2.699   2.699 -0.9351 -1.6887 -1.4717
+  807SOL     OW 3992   0.873   0.717   5.963  0.0410  0.0422 -0.1846
+  807SOL    HW1 3993   0.879   0.663   6.041 -0.3709 -0.2385 -0.3397
+  807SOL    HW2 3994   0.896   0.805   5.992  1.5617 -0.3751 -0.1165
+  808SOL     OW 3995   1.203   1.533   5.745  0.0664  0.1076 -0.2707
+  808SOL    HW1 3996   1.116   1.532   5.705 -0.4248  0.4719  0.7720
+  808SOL    HW2 3997   1.227   1.441   5.753 -0.9747 -0.0537  1.0455
+  809SOL     OW 3998   0.943   0.116   6.035  0.2289 -0.1264  0.1708
+  809SOL    HW1 3999   0.951   0.038   6.090  2.7118 -0.3395 -0.4153
+  809SOL    HW2 4000   0.961   0.084   5.946  0.8277  1.0205 -0.1275
+  810SOL     OW 4001   0.667   6.704   5.081 -0.8175  0.4270 -0.2223
+  810SOL    HW1 4002   0.731   6.776   5.085 -0.2179 -0.0375 -1.2381
+  810SOL    HW2 4003   0.595   6.733   5.138  0.2902  0.9496  0.9493
+  811SOL     OW 4004   0.909   2.436   2.620  0.3688 -0.1857  0.4226
+  811SOL    HW1 4005   0.963   2.429   2.698 -0.5976  0.4829  1.1649
+  811SOL    HW2 4006   0.820   2.450   2.653 -0.1589 -0.5561 -0.7802
+  812SOL     OW 4007   7.886   7.606   6.038  0.3440  0.1261 -0.1664
+  812SOL    HW1 4008   7.906   7.690   5.997  4.2887 -1.8714 -2.7391
+  812SOL    HW2 4009   7.791   7.601   6.040  0.0546  3.0169 -3.4446
+  813SOL     OW 4010   0.512   1.219   5.302  0.2329 -0.2072  0.5451
+  813SOL    HW1 4011   0.424   1.182   5.294 -0.2413  1.0762 -0.4186
+  813SOL    HW2 4012   0.570   1.148   5.275 -0.3234 -1.8491  3.4687
+  814SOL     OW 4013   0.906   0.455   7.594  0.9277  0.3053  0.3552
+  814SOL    HW1 4014   0.904   0.377   7.539  3.2631  0.3144  0.2166
+  814SOL    HW2 4015   0.818   0.491   7.587  0.3997 -1.2150 -1.1833
+  815SOL     OW 4016   2.713   2.928   4.135 -0.4529  0.2995  0.2198
+  815SOL    HW1 4017   2.692   2.970   4.219  0.4503  0.0142  0.6052
+  815SOL    HW2 4018   2.762   2.849   4.160 -2.5587 -1.2561 -0.4798
+  816SOL     OW 4019   2.389   3.572   5.251  0.0805  0.1775 -0.6723
+  816SOL    HW1 4020   2.405   3.601   5.162 -0.6219 -0.1558 -0.9113
+  816SOL    HW2 4021   2.383   3.476   5.245  1.1810  0.0570 -0.0842
+  817SOL     OW 4022   2.204   0.494   5.153  0.3044  0.3156 -0.2279
+  817SOL    HW1 4023   2.259   0.517   5.078  1.6462  0.4224  0.7710
+  817SOL    HW2 4024   2.159   0.576   5.176  0.7311  0.5452 -0.2190
+  818SOL     OW 4025   7.418   7.700   4.400 -0.8363  0.1160  0.0843
+  818SOL    HW1 4026   7.400   7.652   4.481  0.8920 -1.1902 -0.2617
+  818SOL    HW2 4027   7.491   7.758   4.421 -0.4704 -0.1249 -0.4889
+  819SOL     OW 4028   1.239   7.818   6.326  0.3556  0.2895 -0.1172
+  819SOL    HW1 4029   1.161   7.767   6.346  1.3967 -1.2095  0.1641
+  819SOL    HW2 4030   1.265   7.790   6.239  1.7458 -0.7354  0.6012
+  820SOL     OW 4031   0.296   0.546   4.160 -0.1186  0.3072 -0.2712
+  820SOL    HW1 4032   0.353   0.603   4.211 -2.0656  2.0599  0.0028
+  820SOL    HW2 4033   0.223   0.526   4.218  0.2103 -1.9717 -0.5933
+  821SOL     OW 4034   7.818   0.193   6.430  0.8194  0.0687 -0.2483
+  821SOL    HW1 4035   7.896   0.198   6.374  1.3358 -0.0855  0.4487
+  821SOL    HW2 4036   7.753   0.248   6.386  0.9281 -0.7680 -1.4650
+  822SOL     OW 4037   1.842   1.190   5.145 -0.6485 -0.2018  0.4329
+  822SOL    HW1 4038   1.833   1.101   5.111  1.2496 -1.1877  2.3637
+  822SOL    HW2 4039   1.931   1.216   5.120 -0.7253  0.6335  1.0238
+  823SOL     OW 4040   0.080   1.553   5.840  0.2417  0.2118 -0.3437
+  823SOL    HW1 4041  -0.014   1.552   5.857 -0.0437  0.2464 -1.8430
+  823SOL    HW2 4042   0.102   1.646   5.832  0.0955  0.1363 -1.6201
+  824SOL     OW 4043   1.680   0.114   5.361 -0.3351 -0.6849 -0.1246
+  824SOL    HW1 4044   1.726   0.053   5.304  0.3121  0.1946 -0.5504
+  824SOL    HW2 4045   1.636   0.174   5.301 -2.2876 -1.6753  0.2619
+  825SOL     OW 4046   3.863   1.153   4.339  0.0668  0.0550  0.3021
+  825SOL    HW1 4047   3.810   1.226   4.371 -0.0424  0.6939 -1.2965
+  825SOL    HW2 4048   3.952   1.177   4.362  0.0866  0.9500 -0.6870
+  826SOL     OW 4049   1.272   1.388   4.418  0.3613 -0.5888  0.6045
+  826SOL    HW1 4050   1.183   1.364   4.395  0.5194 -1.0330  0.4524
+  826SOL    HW2 4051   1.277   1.482   4.400  0.6158 -1.0015 -1.5825
+  827SOL     OW 4052   3.425   1.762   3.633 -0.3135  0.0733 -0.1176
+  827SOL    HW1 4053   3.518   1.783   3.645 -0.1083  0.1761 -1.8053
+  827SOL    HW2 4054   3.389   1.760   3.722  1.2863  0.1123  0.5419
+  828SOL     OW 4055   1.395   1.400   4.049  0.3003  0.6475 -0.9879
+  828SOL    HW1 4056   1.382   1.335   4.119  1.4944  0.5963 -0.7972
+  828SOL    HW2 4057   1.325   1.464   4.062 -0.2115 -0.0070 -0.4804
+  829SOL     OW 4058   0.768   1.184   5.595 -0.0880 -0.0803 -0.5093
+  829SOL    HW1 4059   0.702   1.229   5.542 -0.1626 -0.4888 -0.7674
+  829SOL    HW2 4060   0.822   1.137   5.530  0.7082  0.5837 -0.3370
+  830SOL     OW 4061   0.812   1.238   6.363  0.0483 -0.3286  0.2787
+  830SOL    HW1 4062   0.731   1.190   6.347  0.6721 -1.5216  0.6403
+  830SOL    HW2 4063   0.799   1.322   6.318 -0.9049 -0.9667 -0.6726
+  831SOL     OW 4064   3.097   0.729   5.504 -0.2349  0.2086  0.0657
+  831SOL    HW1 4065   3.112   0.716   5.598  1.0372  1.4866  0.0533
+  831SOL    HW2 4066   3.102   0.824   5.492 -0.5613  0.0650 -1.2689
+  832SOL     OW 4067   1.979   0.930   6.850 -0.3965  0.1316 -0.1569
+  832SOL    HW1 4068   2.009   1.014   6.816  1.4980 -0.3955  0.0946
+  832SOL    HW2 4069   1.950   0.882   6.772  1.9898 -0.3032 -0.8528
+  833SOL     OW 4070   7.651   3.760   2.979  0.2931 -0.1132 -0.3432
+  833SOL    HW1 4071   7.739   3.722   2.985  0.0324 -0.4756  1.4764
+  833SOL    HW2 4072   7.635   3.796   3.066 -1.2166  0.2796 -0.7809
+  834SOL     OW 4073   0.273   1.799   4.268 -0.0770 -0.5548  0.2408
+  834SOL    HW1 4074   0.242   1.889   4.271 -1.7664 -1.0684 -1.0247
+  834SOL    HW2 4075   0.288   1.782   4.175  2.7632 -0.7569  0.7184
+  835SOL     OW 4076   0.379   0.361   7.395 -0.0141 -0.0504  0.7850
+  835SOL    HW1 4077   0.400   0.269   7.411  0.3165 -0.4283 -1.5823
+  835SOL    HW2 4078   0.426   0.382   7.314 -1.5406  1.6909  0.3266
+  836SOL     OW 4079   3.095   1.979   6.159  0.1176 -0.2775 -0.4064
+  836SOL    HW1 4080   3.064   2.036   6.229  0.4996  0.2945 -0.7057
+  836SOL    HW2 4081   3.017   1.934   6.128 -0.2330  0.3247 -0.3985
+  837SOL     OW 4082   0.246   1.851   3.894  0.4964 -0.1670 -0.0280
+  837SOL    HW1 4083   0.247   1.942   3.864  1.0412 -0.2989 -0.4004
+  837SOL    HW2 4084   0.204   1.803   3.823  0.3173 -0.2318  0.1188
+  838SOL     OW 4085   0.632   1.891   5.293  0.0325  0.1689 -1.0238
+  838SOL    HW1 4086   0.652   1.888   5.199 -0.4506  1.7388 -1.1865
+  838SOL    HW2 4087   0.598   1.979   5.308 -0.6977 -0.3432  0.4744
+  839SOL     OW 4088   0.684   6.953   4.237  0.5426 -0.2747 -0.4854
+  839SOL    HW1 4089   0.755   6.896   4.268  0.8431 -0.4422 -1.4723
+  839SOL    HW2 4090   0.633   6.898   4.178  1.0382  0.5647 -1.7263
+  840SOL     OW 4091   0.723   2.813   5.482 -0.2947 -0.5487 -0.3008
+  840SOL    HW1 4092   0.752   2.745   5.420  2.2123 -0.2137  0.4350
+  840SOL    HW2 4093   0.803   2.837   5.529 -1.6826  1.0389  1.2812
+  841SOL     OW 4094   2.101   1.094   6.642 -0.0953 -0.2451  0.0841
+  841SOL    HW1 4095   2.176   1.037   6.626  0.5478  0.4992  0.3903
+  841SOL    HW2 4096   2.082   1.133   6.557  0.0549 -0.2081  0.0677
+  842SOL     OW 4097   2.227   7.986   4.193  0.6776  0.1476 -0.2753
+  842SOL    HW1 4098   2.308   8.015   4.236  0.1403  1.2614  0.0163
+  842SOL    HW2 4099   2.172   7.953   4.264  0.1048  1.2520 -0.1801
+  843SOL     OW 4100   0.399   3.635   4.167 -0.0584 -0.0003 -0.2090
+  843SOL    HW1 4101   0.408   3.562   4.106  0.7693  0.4798 -0.6636
+  843SOL    HW2 4102   0.474   3.692   4.148 -0.6316  0.9057  0.2279
+  844SOL     OW 4103   1.947   7.795   1.512 -0.0952  0.3208 -0.2027
+  844SOL    HW1 4104   1.872   7.737   1.526 -0.5993  0.9667 -0.1640
+  844SOL    HW2 4105   2.018   7.757   1.564 -0.6310  0.1487  0.4110
+  845SOL     OW 4106   1.346   2.341   3.729  0.5230  0.6567  0.0313
+  845SOL    HW1 4107   1.313   2.403   3.664  0.2684  0.7818  0.2785
+  845SOL    HW2 4108   1.279   2.339   3.797 -0.4389 -1.4718 -0.9576
+  846SOL     OW 4109   1.367   1.783   7.487  0.2898  0.2468 -0.0856
+  846SOL    HW1 4110   1.461   1.793   7.480  0.0841  2.2278 -0.4711
+  846SOL    HW2 4111   1.351   1.772   7.581  0.8682  0.4964  0.0465
+  847SOL     OW 4112   3.933   7.508   5.643  0.2744  0.4737  0.0654
+  847SOL    HW1 4113   3.928   7.540   5.733  2.7867  1.2715 -0.0376
+  847SOL    HW2 4114   3.944   7.586   5.590  2.3688 -0.2276 -0.5808
+  848SOL     OW 4115   2.277   0.177   6.377  0.0753 -0.5746  0.3284
+  848SOL    HW1 4116   2.355   0.123   6.387  0.4315 -0.3912 -1.3265
+  848SOL    HW2 4117   2.210   0.116   6.344  0.4399 -0.0386 -1.4117
+  849SOL     OW 4118   7.468   0.195   5.849 -0.0614 -0.1280  0.0634
+  849SOL    HW1 4119   7.473   0.174   5.942 -0.3261 -1.0700 -0.1294
+  849SOL    HW2 4120   7.390   0.249   5.841 -0.2456 -0.3508  0.3373
+  850SOL     OW 4121   7.759   2.202   6.001 -0.1798  0.5649 -0.3913
+  850SOL    HW1 4122   7.821   2.164   5.939  0.8165  1.5536 -0.0138
+  850SOL    HW2 4123   7.788   2.172   6.087 -0.5944  0.5174 -0.2651
+  851SOL     OW 4124   1.223   0.380   6.084  0.6598  0.3238  0.0073
+  851SOL    HW1 4125   1.243   0.302   6.135 -0.7956  0.4645  0.8196
+  851SOL    HW2 4126   1.188   0.442   6.148 -2.8741 -0.1169 -1.4051
+  852SOL     OW 4127   1.032   6.525   3.846 -0.1313 -0.1178  0.6796
+  852SOL    HW1 4128   1.091   6.462   3.886  1.6030  0.5114 -0.8455
+  852SOL    HW2 4129   1.087   6.578   3.788 -2.2851  0.0079 -1.3585
+  853SOL     OW 4130   7.953   7.973   6.868  0.2663  0.2533  0.2047
+  853SOL    HW1 4131   7.907   8.045   6.910 -0.3202 -0.1205  0.2103
+  853SOL    HW2 4132   8.029   7.956   6.924  0.3251  0.7601  0.2819
+  854SOL     OW 4133   1.479   4.110   6.582 -0.7308  0.2278  0.5908
+  854SOL    HW1 4134   1.448   4.198   6.602 -2.3898 -0.3899  0.8462
+  854SOL    HW2 4135   1.451   4.057   6.657  1.6502 -0.2250  1.2015
+  855SOL     OW 4136   1.398   2.406   4.890  0.1347  0.2067 -0.0453
+  855SOL    HW1 4137   1.449   2.338   4.848 -0.5427 -0.4188  0.1435
+  855SOL    HW2 4138   1.447   2.487   4.873 -0.1116 -0.0440 -1.9696
+  856SOL     OW 4139   2.219   0.530   6.987  0.2178  0.0449  0.3825
+  856SOL    HW1 4140   2.240   0.585   6.911  0.4871 -1.8873 -0.9796
+  856SOL    HW2 4141   2.130   0.499   6.970  1.0210 -2.0510 -0.2166
+  857SOL     OW 4142   0.838   0.484   5.157 -0.4923  0.1998 -0.0974
+  857SOL    HW1 4143   0.791   0.568   5.156 -0.9532 -0.0025  2.2655
+  857SOL    HW2 4144   0.888   0.486   5.239  0.7844 -1.1496 -0.8298
+  858SOL     OW 4145   1.090   7.937   4.193  0.0586  0.0725 -0.0743
+  858SOL    HW1 4146   1.107   7.910   4.102  0.4717 -1.6007  0.4895
+  858SOL    HW2 4147   0.998   7.915   4.207 -0.0690  0.5481 -0.1554
+  859SOL     OW 4148   0.073   1.007   5.440  0.0110  0.0547  0.0755
+  859SOL    HW1 4149   0.034   0.919   5.431 -1.0870  0.5221  0.1405
+  859SOL    HW2 4150   0.016   1.051   5.504  1.1252  0.4954  0.7790
+  860SOL     OW 4151   2.155   1.468   6.822 -0.1541 -0.1470 -0.1401
+  860SOL    HW1 4152   2.145   1.511   6.737 -0.1383 -0.5096 -0.3295
+  860SOL    HW2 4153   2.068   1.476   6.863 -1.2904 -3.2490 -1.7713
+  861SOL     OW 4154   2.692   0.087   5.493  0.0925  0.3918 -0.0624
+  861SOL    HW1 4155   2.639   0.163   5.516  0.4438  0.6415 -0.0737
+  861SOL    HW2 4156   2.780   0.109   5.524  0.4059  0.4143 -0.9609
+  862SOL     OW 4157   0.357   0.980   5.073  0.4185  0.0093  0.7565
+  862SOL    HW1 4158   0.289   0.919   5.047  0.8160 -0.9253  1.8593
+  862SOL    HW2 4159   0.310   1.053   5.113 -0.0696  0.5440 -0.7687
+  863SOL     OW 4160   1.240   7.876   3.317 -0.2277  0.4103 -0.7571
+  863SOL    HW1 4161   1.319   7.876   3.264 -0.7434 -0.5219 -1.5484
+  863SOL    HW2 4162   1.171   7.847   3.257 -0.4384 -2.7886  0.9220
+  864SOL     OW 4163   7.575   1.198   3.315  0.4615 -0.4978  0.1234
+  864SOL    HW1 4164   7.571   1.143   3.392  2.1999 -0.4567  0.2760
+  864SOL    HW2 4165   7.486   1.202   3.282  0.0756 -2.1695  0.9704
+  865SOL     OW 4166   0.422   1.534   2.013 -0.2014  0.9271 -0.1451
+  865SOL    HW1 4167   0.406   1.618   1.969 -1.1492  1.7710  1.7379
+  865SOL    HW2 4168   0.513   1.539   2.042  0.6951  0.0220 -2.6693
+  866SOL     OW 4169   7.806   1.486   6.419 -0.0495  0.1791  0.0864
+  866SOL    HW1 4170   7.860   1.533   6.355  0.2115  0.1138  0.2584
+  866SOL    HW2 4171   7.848   1.400   6.427  1.2992  0.9684  2.0701
+  867SOL     OW 4172   1.159   1.830   5.282  0.1050 -0.0869  0.0764
+  867SOL    HW1 4173   1.118   1.747   5.304 -0.7755  0.0406 -1.0004
+  867SOL    HW2 4174   1.231   1.807   5.223  0.7750 -0.1985  0.9270
+  868SOL     OW 4175   0.564   7.463   6.618 -0.7328 -0.2218 -0.4103
+  868SOL    HW1 4176   0.595   7.546   6.582 -0.8192  0.5347  1.2178
+  868SOL    HW2 4177   0.518   7.421   6.546  0.1140  0.7324 -1.5134
+  869SOL     OW 4178   1.933   0.001   6.562  0.3236 -0.5540 -0.1245
+  869SOL    HW1 4179   1.913   0.010   6.655 -0.6791 -0.7225 -0.3134
+  869SOL    HW2 4180   2.028  -0.010   6.558  0.3859 -0.3600  0.8633
+  870SOL     OW 4181   6.816   7.814   4.052  0.0472  0.3405 -0.3740
+  870SOL    HW1 4182   6.870   7.756   4.106  0.1853  0.2649 -0.5935
+  870SOL    HW2 4183   6.796   7.888   4.109  0.8195  0.6165 -0.4673
+  871SOL     OW 4184   7.712   3.393   2.890  0.0944  0.0717  0.3743
+  871SOL    HW1 4185   7.794   3.347   2.909  0.3176  0.9671  1.6653
+  871SOL    HW2 4186   7.735   3.486   2.894 -0.9329  0.3251  0.5337
+  872SOL     OW 4187   1.040   0.416   3.809  0.2576 -0.4641 -0.1189
+  872SOL    HW1 4188   1.013   0.350   3.872 -2.8695  0.8100 -0.0687
+  872SOL    HW2 4189   1.007   0.384   3.725 -2.6475  1.6772  0.1189
+  873SOL     OW 4190   1.261   0.925   5.491 -0.1850 -0.3526 -0.2683
+  873SOL    HW1 4191   1.280   0.932   5.398  0.7919 -0.7344 -0.1070
+  873SOL    HW2 4192   1.242   0.832   5.505  1.9126 -0.7262  0.3037
+  874SOL     OW 4193   7.950   1.006   4.870  0.3190 -0.3641  0.0447
+  874SOL    HW1 4194   7.903   1.029   4.950 -0.4793  0.8494 -0.7701
+  874SOL    HW2 4195   8.030   0.964   4.901 -0.3321 -0.5857  1.4672
+  875SOL     OW 4196   0.058   5.202   5.926 -0.2108 -0.1141  0.3262
+  875SOL    HW1 4197   0.012   5.155   5.857  0.2428 -0.8458  0.5146
+  875SOL    HW2 4198   0.083   5.134   5.989 -0.2277  0.4864  0.9813
+  876SOL     OW 4199   0.987   0.248   1.127 -0.3707 -0.6377  0.5670
+  876SOL    HW1 4200   1.026   0.264   1.041 -0.5331  2.6995  1.0254
+  876SOL    HW2 4201   0.893   0.243   1.110 -0.5822  1.9082  0.6985
+  877SOL     OW 4202   0.944   2.278   3.366  0.2057 -0.0652 -0.1556
+  877SOL    HW1 4203   0.997   2.202   3.342 -2.2773 -1.5763 -1.1211
+  877SOL    HW2 4204   0.970   2.346   3.304  2.1167 -0.2425  0.4195
+  878SOL     OW 4205   0.820   7.883   4.154 -0.4715 -0.0931  0.1887
+  878SOL    HW1 4206   0.797   7.959   4.101  1.5587  0.1831 -0.3365
+  878SOL    HW2 4207   0.736   7.844   4.178 -1.4876  1.4635 -0.7761
+  879SOL     OW 4208   1.124   0.720   5.033 -0.0657 -0.4799 -0.0053
+  879SOL    HW1 4209   1.209   0.685   5.007 -0.6552 -3.2407  1.6651
+  879SOL    HW2 4210   1.062   0.650   5.014 -1.8487  1.0876 -0.1555
+  880SOL     OW 4211   2.238   2.022   3.737 -0.4486 -0.3513 -0.2013
+  880SOL    HW1 4212   2.174   2.092   3.752  0.1398 -0.1456  1.4182
+  880SOL    HW2 4213   2.283   2.012   3.821  0.5916 -1.5603 -0.8873
+  881SOL     OW 4214   2.003   2.330   5.311 -0.7244 -0.1992 -0.8388
+  881SOL    HW1 4215   1.981   2.420   5.335 -3.8030 -0.4797 -2.3357
+  881SOL    HW2 4216   1.976   2.278   5.387 -2.2830 -0.1730 -1.3418
+  882SOL     OW 4217   0.996   0.241   4.373  0.2128  0.5835 -0.3420
+  882SOL    HW1 4218   1.019   0.303   4.304  2.3548  0.2511  0.0283
+  882SOL    HW2 4219   1.077   0.191   4.387 -1.4523 -2.2930 -0.6495
+  883SOL     OW 4220   0.756   1.526   5.852 -0.5463  0.5025  0.2916
+  883SOL    HW1 4221   0.810   1.504   5.929 -0.3586  0.0783  0.0412
+  883SOL    HW2 4222   0.692   1.455   5.847 -0.3764  0.3741 -0.1107
+  884SOL     OW 4223   7.581   1.704   3.247  0.0919  0.2932  0.0972
+  884SOL    HW1 4224   7.667   1.718   3.206  0.0513 -0.5875 -0.3007
+  884SOL    HW2 4225   7.543   1.792   3.253  1.1462  0.7352  0.5695
+  885SOL     OW 4226   0.120   7.121   5.464  0.1324 -0.3352 -0.2664
+  885SOL    HW1 4227   0.057   7.141   5.395 -0.1184 -1.4351 -0.3714
+  885SOL    HW2 4228   0.184   7.191   5.459 -1.5104  1.2648  0.3785
+  886SOL     OW 4229   2.289   3.133   3.936 -0.5982  0.3114 -0.0661
+  886SOL    HW1 4230   2.212   3.124   3.992  0.8335 -2.0941  1.6336
+  886SOL    HW2 4231   2.332   3.047   3.941  0.4415  0.5439 -3.5902
+  887SOL     OW 4232   2.689   1.659   5.222  0.4755  1.0583  0.3595
+  887SOL    HW1 4233   2.630   1.732   5.202 -0.1417  0.5229  0.2245
+  887SOL    HW2 4234   2.639   1.581   5.200  0.0548  0.4649  3.1485
+  888SOL     OW 4235   0.049   7.811   3.914 -0.1421  0.6966 -0.0978
+  888SOL    HW1 4236  -0.033   7.777   3.950 -0.7186  0.8692 -1.2266
+  888SOL    HW2 4237   0.086   7.865   3.985 -1.0659  0.7198  0.3716
+  889SOL     OW 4238   2.651   1.852   6.311 -0.5905  0.5367  0.5601
+  889SOL    HW1 4239   2.697   1.851   6.227 -2.5039  0.4958 -0.5071
+  889SOL    HW2 4240   2.712   1.896   6.371  1.0893 -0.0869 -0.6565
+  890SOL     OW 4241   1.501   1.573   6.082  0.4248 -0.0103  0.3718
+  890SOL    HW1 4242   1.586   1.577   6.039  0.6516  1.4688  0.9620
+  890SOL    HW2 4243   1.503   1.642   6.148 -0.9706 -0.4223  0.8715
+  891SOL     OW 4244   2.826   0.956   5.865  0.1140  0.0967 -0.3212
+  891SOL    HW1 4245   2.894   1.022   5.861  1.5336 -1.3867 -1.5873
+  891SOL    HW2 4246   2.863   0.885   5.917 -1.0931 -0.0383  0.3889
+  892SOL     OW 4247   1.629   2.044   6.548  0.2320 -0.1522  0.2003
+  892SOL    HW1 4248   1.604   2.055   6.457 -1.1487  0.0982  0.6010
+  892SOL    HW2 4249   1.566   1.982   6.584 -0.4599  1.2212  1.4701
+  893SOL     OW 4250   1.533   7.870   5.085  0.4467 -0.1384  0.4033
+  893SOL    HW1 4251   1.504   7.809   5.017 -0.2321  1.1157 -0.4647
+  893SOL    HW2 4252   1.606   7.825   5.128 -0.3353 -1.7416  0.0932
+  894SOL     OW 4253   1.012   2.048   6.725 -0.3436 -0.1370  0.5387
+  894SOL    HW1 4254   1.034   2.140   6.737  0.3420 -0.2614  0.2875
+  894SOL    HW2 4255   1.051   2.026   6.640 -0.6246 -0.6210  0.5358
+  895SOL     OW 4256   7.975   2.310   4.215  0.2833 -0.6848 -0.9598
+  895SOL    HW1 4257   7.933   2.285   4.133  0.9001 -0.3460 -1.3860
+  895SOL    HW2 4258   8.053   2.358   4.188 -0.7421  1.4857 -0.1594
+  896SOL     OW 4259   1.587   3.263   4.008  0.0539  0.0502  0.0578
+  896SOL    HW1 4260   1.494   3.245   4.020  0.6687 -2.1134  1.8983
+  896SOL    HW2 4261   1.591   3.318   3.930 -2.6364 -1.0707 -0.9248
+  897SOL     OW 4262   7.199   0.125   7.033 -0.1020  0.1423  0.7662
+  897SOL    HW1 4263   7.177   0.068   7.108 -0.9877  0.7287  0.9528
+  897SOL    HW2 4264   7.191   0.068   6.957 -1.6821  0.1928  0.8881
+  898SOL     OW 4265   5.990   0.469   4.760  0.6851  0.3082 -0.4470
+  898SOL    HW1 4266   5.958   0.445   4.847 -0.1259 -1.0682 -1.1216
+  898SOL    HW2 4267   5.919   0.521   4.722  1.2081  1.2587 -0.1344
+  899SOL     OW 4268   2.094   7.921   5.670 -0.4290 -0.5570  0.0530
+  899SOL    HW1 4269   2.120   8.013   5.672 -1.0973 -0.2573 -2.3326
+  899SOL    HW2 4270   2.046   7.907   5.751 -0.4429  1.2449  0.3690
+  900SOL     OW 4271   2.471   0.856   4.973 -0.3737 -0.3606  0.4580
+  900SOL    HW1 4272   2.565   0.848   4.959 -0.5522 -0.9388 -0.4583
+  900SOL    HW2 4273   2.462   0.880   5.065  0.6872  0.1940  0.4174
+  901SOL     OW 4274   0.263   1.203   2.991  0.3010  0.0653 -0.3058
+  901SOL    HW1 4275   0.344   1.237   3.027  0.6831 -1.6618  0.5317
+  901SOL    HW2 4276   0.233   1.139   3.055  1.4227 -3.6761 -3.3153
+  902SOL     OW 4277   0.721   7.348   4.766  0.5085 -0.2848  0.0196
+  902SOL    HW1 4278   0.684   7.261   4.775 -0.4889  0.0542 -0.6617
+  902SOL    HW2 4279   0.804   7.334   4.719  0.1638 -0.8227 -0.4351
+  903SOL     OW 4280   0.388   1.872   7.496 -0.2417  0.0157  0.1941
+  903SOL    HW1 4281   0.459   1.812   7.518 -0.7772 -0.2936  1.0958
+  903SOL    HW2 4282   0.371   1.856   7.404  2.1872  1.4841 -0.5569
+  904SOL     OW 4283   0.663   3.533   2.687  0.8256  0.0444 -0.2258
+  904SOL    HW1 4284   0.641   3.614   2.733  0.0881 -2.1828  3.6698
+  904SOL    HW2 4285   0.752   3.545   2.656  0.4082  2.6376 -0.5017
+  905SOL     OW 4286   1.090   1.345   5.439  0.1305  0.0288  0.1180
+  905SOL    HW1 4287   1.043   1.375   5.516 -0.9789 -0.8656 -0.2087
+  905SOL    HW2 4288   1.059   1.256   5.424  1.2847 -0.2655 -0.6080
+  906SOL     OW 4289   2.046   0.280   5.212  0.2092  0.6882 -0.0329
+  906SOL    HW1 4290   1.957   0.293   5.179  0.5147  0.6033 -0.9055
+  906SOL    HW2 4291   2.099   0.345   5.165  0.7923 -0.0020 -0.3441
+  907SOL     OW 4292   7.926   2.911   2.363 -0.4732 -0.1947  0.6904
+  907SOL    HW1 4293   7.926   2.857   2.284 -0.1293 -0.1711  0.6746
+  907SOL    HW2 4294   7.935   3.001   2.331 -3.4796  0.1078  0.5643
+  908SOL     OW 4295   0.006   0.152   5.043 -0.1410 -0.1754 -0.7437
+  908SOL    HW1 4296  -0.010   0.156   5.137 -2.3352  1.5981 -1.1405
+  908SOL    HW2 4297   0.061   0.075   5.031 -0.1164 -0.6287  1.9449
+  909SOL     OW 4298   6.977   1.041   3.136  0.1048  0.2054  0.1600
+  909SOL    HW1 4299   7.066   1.008   3.122 -0.0261 -0.5596  1.1413
+  909SOL    HW2 4300   6.984   1.135   3.121  0.9891  0.0854 -0.2065
+  910SOL     OW 4301   7.796   2.162   5.432 -0.2266  0.6338  0.3727
+  910SOL    HW1 4302   7.826   2.168   5.341 -1.6897 -0.9183 -0.2277
+  910SOL    HW2 4303   7.702   2.147   5.425 -0.1894 -0.4998  2.1251
+  911SOL     OW 4304   1.437   1.141   6.240  0.1890 -0.1022  0.1974
+  911SOL    HW1 4305   1.382   1.062   6.236 -0.0818  0.1405 -1.2295
+  911SOL    HW2 4306   1.391   1.204   6.185  2.0396  0.0278 -1.2325
+  912SOL     OW 4307   0.147   0.811   4.981  0.3105  0.7424 -0.7441
+  912SOL    HW1 4308   0.215   0.795   4.916  1.5549  0.1934  0.6810
+  912SOL    HW2 4309   0.111   0.725   4.999  1.3863  0.6072  0.8211
+  913SOL     OW 4310   1.458   7.470   6.564 -0.4707 -0.6532  0.1932
+  913SOL    HW1 4311   1.371   7.451   6.599 -0.4391  0.3064  0.7914
+  913SOL    HW2 4312   1.444   7.483   6.471 -0.9331 -0.7374  0.2498
+  914SOL     OW 4313   7.830   1.751   3.132  0.0653  0.2393 -0.2269
+  914SOL    HW1 4314   7.884   1.805   3.075 -0.6518  2.2684  0.9610
+  914SOL    HW2 4315   7.871   1.760   3.218 -0.9623  0.1473  0.2769
+  915SOL     OW 4316   7.972   1.467   5.080  0.2705 -1.1121 -0.0360
+  915SOL    HW1 4317   7.890   1.512   5.098 -0.5493 -3.2207  1.7292
+  915SOL    HW2 4318   7.971   1.391   5.139  2.8369 -1.9322 -0.9902
+  916SOL     OW 4319   0.383   0.834   6.579  0.0741  0.2446 -0.3252
+  916SOL    HW1 4320   0.378   0.819   6.485  1.8673 -1.0333 -0.2356
+  916SOL    HW2 4321   0.300   0.799   6.613 -0.6331  0.8425 -1.4340
+  917SOL     OW 4322   1.864   2.046   5.783 -0.1983  0.4362 -0.3176
+  917SOL    HW1 4323   1.814   2.127   5.788 -0.6269  0.0378  2.9640
+  917SOL    HW2 4324   1.799   1.978   5.763 -0.4134  0.4259  0.4023
+  918SOL     OW 4325   7.596   0.309   6.977  0.0583 -0.0279  0.1385
+  918SOL    HW1 4326   7.529   0.266   6.923  1.1960 -2.3443  0.5463
+  918SOL    HW2 4327   7.554   0.390   7.006 -2.8281 -1.7594  0.9666
+  919SOL     OW 4328   2.051   1.152   4.920  0.4402 -0.4160 -0.4220
+  919SOL    HW1 4329   2.104   1.147   4.999 -0.7941 -0.5454  0.4005
+  919SOL    HW2 4330   2.029   1.244   4.911  0.9322 -0.3340 -0.8660
+  920SOL     OW 4331   1.588   2.555   4.294 -0.4067 -0.2477 -0.6613
+  920SOL    HW1 4332   1.535   2.534   4.372  0.8654  0.4660  0.4176
+  920SOL    HW2 4333   1.524   2.560   4.223 -1.3123 -3.3627 -0.1588
+  921SOL     OW 4334   0.767   0.564   6.815  0.7535  0.4129 -0.1852
+  921SOL    HW1 4335   0.715   0.603   6.745 -1.4167 -1.2276  0.4731
+  921SOL    HW2 4336   0.801   0.483   6.777  0.6906  0.1955  0.2256
+  922SOL     OW 4337   7.781   1.745   4.746  0.1829 -0.3391  0.0468
+  922SOL    HW1 4338   7.837   1.793   4.807  0.7452 -0.7262 -0.1574
+  922SOL    HW2 4339   7.698   1.734   4.792  0.4653 -0.2573  0.5798
+  923SOL     OW 4340   0.659   2.009   3.711  0.3316 -0.2871 -0.2060
+  923SOL    HW1 4341   0.589   1.966   3.663  0.5071 -0.5341 -0.2392
+  923SOL    HW2 4342   0.682   2.086   3.658 -1.0895  0.7601  0.6472
+  924SOL     OW 4343   1.479   7.127   7.491  0.1834  0.2386 -0.6441
+  924SOL    HW1 4344   1.434   7.210   7.506  1.0639  0.7105 -0.6086
+  924SOL    HW2 4345   1.527   7.140   7.409  2.0666  0.5215  0.4726
+  925SOL     OW 4346   0.818   7.568   7.715 -0.0393  0.8281  0.8059
+  925SOL    HW1 4347   0.820   7.483   7.758  2.1602  0.8631  0.8468
+  925SOL    HW2 4348   0.891   7.565   7.653 -1.2335  1.9162 -0.7093
+  926SOL     OW 4349   1.029   2.126   3.755 -0.1465 -0.2493  0.2699
+  926SOL    HW1 4350   0.951   2.073   3.772 -0.5742  0.3981  0.3751
+  926SOL    HW2 4351   0.995   2.203   3.708  0.2298  0.6892  1.5109
+  927SOL     OW 4352   7.689   1.858   5.393 -0.1270  0.2256  0.5702
+  927SOL    HW1 4353   7.615   1.917   5.408  0.1044  0.3886  1.0816
+  927SOL    HW2 4354   7.707   1.866   5.299 -1.0511 -0.1640  0.3546
+  928SOL     OW 4355   3.147   2.592   4.945  0.4241  0.3444 -0.1112
+  928SOL    HW1 4356   3.213   2.644   4.991  1.8782 -0.2109 -1.4934
+  928SOL    HW2 4357   3.115   2.650   4.876  0.6914  0.0582 -0.4803
+  929SOL     OW 4358   7.802   2.386   3.662 -0.6199 -0.0034 -0.3356
+  929SOL    HW1 4359   7.740   2.382   3.735  0.1671 -1.7369  0.2688
+  929SOL    HW2 4360   7.767   2.453   3.604 -0.9646  1.8333  1.9202
+  930SOL     OW 4361   0.637   0.525   6.007 -0.1926  0.7507 -0.6745
+  930SOL    HW1 4362   0.646   0.538   5.912 -0.2506  0.3593 -0.7351
+  930SOL    HW2 4363   0.717   0.479   6.032 -0.6040  0.0183 -0.6928
+  931SOL     OW 4364   1.024   1.303   6.008 -0.4168  0.3258  0.1446
+  931SOL    HW1 4365   0.981   1.219   5.993  0.3898 -0.3579  1.4890
+  931SOL    HW2 4366   0.952   1.365   6.018 -1.0011  0.0831 -2.2983
+  932SOL     OW 4367   7.655   1.054   4.505  0.2567  0.2379 -0.0527
+  932SOL    HW1 4368   7.639   0.992   4.577  0.1019 -1.2675 -1.3629
+  932SOL    HW2 4369   7.686   1.000   4.433 -0.0021  1.6804 -1.2749
+  933SOL     OW 4370   0.967   1.801   6.121  0.3882 -0.4983  0.1311
+  933SOL    HW1 4371   0.917   1.819   6.041  0.9578  0.2259 -0.0596
+  933SOL    HW2 4372   1.057   1.825   6.099  0.3129  0.9718  1.4308
+  934SOL     OW 4373   0.840   6.456   7.624  0.1979 -0.2837  0.1702
+  934SOL    HW1 4374   0.863   6.493   7.539  1.5029 -0.6452  0.3603
+  934SOL    HW2 4375   0.899   6.500   7.686 -0.8751  0.1244  0.9276
+  935SOL     OW 4376   0.273   7.208   6.744  0.0527 -0.3908  0.1431
+  935SOL    HW1 4377   0.290   7.117   6.769 -1.0393 -0.8729 -0.8315
+  935SOL    HW2 4378   0.181   7.222   6.767 -0.4979 -0.3306 -1.9865
+  936SOL     OW 4379   1.230   1.689   4.427 -0.1634  0.1078  0.2470
+  936SOL    HW1 4380   1.241   1.754   4.358  1.6151 -1.3774 -0.9274
+  936SOL    HW2 4381   1.312   1.691   4.475  0.3948 -2.0729 -0.5529
+  937SOL     OW 4382   1.525   7.677   5.895  0.4834 -0.0683 -0.2820
+  937SOL    HW1 4383   1.617   7.659   5.915  0.8282  1.1789 -0.7372
+  937SOL    HW2 4384   1.513   7.644   5.806  0.3251 -0.7824 -0.0004
+  938SOL     OW 4385   2.589   1.149   5.577 -0.2617 -0.2894  0.3221
+  938SOL    HW1 4386   2.496   1.145   5.598 -0.0698  2.4352  1.8177
+  938SOL    HW2 4387   2.598   1.225   5.520  1.3277  0.6662  1.7903
+  939SOL     OW 4388   1.827   0.022   6.169 -0.2633 -0.6395 -0.3363
+  939SOL    HW1 4389   1.746   0.057   6.132  0.0753  1.1275  0.5065
+  939SOL    HW2 4390   1.799  -0.045   6.231 -1.0459 -0.5579 -0.6006
+  940SOL     OW 4391   1.219   0.678   6.077 -0.0887  0.3718 -0.2515
+  940SOL    HW1 4392   1.297   0.623   6.085 -0.3698  0.1994  1.4409
+  940SOL    HW2 4393   1.146   0.621   6.099 -0.6209  0.7917 -0.8811
+  941SOL     OW 4394   0.443   1.386   3.832  0.5169 -1.0919 -0.0203
+  941SOL    HW1 4395   0.397   1.396   3.748  0.0290 -1.9320  0.1356
+  941SOL    HW2 4396   0.379   1.413   3.898  0.6577 -1.0955  0.1160
+  942SOL     OW 4397   2.363   1.552   5.525 -0.5782 -0.6037 -0.1386
+  942SOL    HW1 4398   2.295   1.499   5.566 -0.1823 -1.1455 -0.1763
+  942SOL    HW2 4399   2.443   1.500   5.535  0.1743  0.7989  1.4804
+  943SOL     OW 4400   6.984   7.758   3.027  0.0420 -0.1463  0.2295
+  943SOL    HW1 4401   6.893   7.744   3.002 -0.2212  2.4285 -0.4722
+  943SOL    HW2 4402   6.989   7.731   3.118 -1.2937 -0.8516  0.1023
+  944SOL     OW 4403   2.446   1.687   5.059  0.0707 -0.2993  0.0094
+  944SOL    HW1 4404   2.392   1.628   5.006  0.8239 -0.7795 -0.2360
+  944SOL    HW2 4405   2.430   1.774   5.022 -1.4734 -0.2609  0.7329
+  945SOL     OW 4406   7.203   0.041   2.996 -0.3483  0.5356 -0.1919
+  945SOL    HW1 4407   7.216   0.134   2.979  3.4516 -0.3737 -2.9268
+  945SOL    HW2 4408   7.268   0.021   3.064  0.3487 -0.5265 -1.1614
+  946SOL     OW 4409   0.927   2.416   3.945  0.8231 -0.5022 -0.2651
+  946SOL    HW1 4410   0.928   2.424   3.850  1.0265  0.4220 -0.1879
+  946SOL    HW2 4411   0.851   2.361   3.964 -1.1642  1.9712 -0.7640
+  947SOL     OW 4412   1.345   1.056   3.855 -0.4296  0.1112  0.0690
+  947SOL    HW1 4413   1.378   0.969   3.832 -0.5823 -0.6613  2.6529
+  947SOL    HW2 4414   1.387   1.076   3.938 -0.5653  2.4399 -0.4018
+  948SOL     OW 4415   7.960   7.261   5.269  0.6433 -0.5020  0.0662
+  948SOL    HW1 4416   7.893   7.243   5.204 -0.0669 -0.1760  0.6997
+  948SOL    HW2 4417   7.925   7.335   5.320  1.6139 -0.1209  0.2003
+  949SOL     OW 4418   6.957   1.039   0.595 -0.7173 -0.2602 -0.3958
+  949SOL    HW1 4419   6.986   0.968   0.652 -1.3756  0.3101  0.6718
+  949SOL    HW2 4420   7.022   1.108   0.606 -0.0455 -0.7184 -1.4792
+  950SOL     OW 4421   7.194   7.022   6.109  0.5561 -0.5672  0.0079
+  950SOL    HW1 4422   7.142   7.094   6.073  1.1358  0.7993  1.8010
+  950SOL    HW2 4423   7.136   6.946   6.103 -0.7731  0.4341 -0.2329
+  951SOL     OW 4424   7.380   2.281   5.820  0.0362 -0.1539 -0.3419
+  951SOL    HW1 4425   7.294   2.323   5.832 -0.4997 -1.2155 -0.4326
+  951SOL    HW2 4426   7.433   2.315   5.893 -0.1954  1.1570 -0.7604
+  952SOL     OW 4427   7.229   2.296   4.961 -0.4274 -0.5993 -0.4915
+  952SOL    HW1 4428   7.183   2.217   4.934 -0.0387 -0.6672 -0.9667
+  952SOL    HW2 4429   7.280   2.268   5.038 -0.3085 -0.8094 -0.6437
+  953SOL     OW 4430   1.576   1.800   6.932  0.0657  0.2047  0.1277
+  953SOL    HW1 4431   1.514   1.849   6.878  0.1167  1.5980  1.3252
+  953SOL    HW2 4432   1.561   1.831   7.021  1.5424 -0.4528  0.6193
+  954SOL     OW 4433   4.238   0.192   6.431 -0.5375  0.7633 -0.3197
+  954SOL    HW1 4434   4.152   0.171   6.394  0.0183  1.3488 -1.9832
+  954SOL    HW2 4435   4.284   0.237   6.360  1.0376  0.7132  0.6557
+  955SOL     OW 4436   2.462   2.462   0.160 -0.0262 -0.1438 -0.2717
+  955SOL    HW1 4437   2.454   2.532   0.224  0.0840  1.1661 -1.6510
+  955SOL    HW2 4438   2.374   2.453   0.123 -0.1257 -0.9920  0.1662
+  956SOL     OW 4439   1.683   0.712   1.409  0.2524 -0.3330 -0.1494
+  956SOL    HW1 4440   1.615   0.746   1.466  0.1836  4.2574 -2.7411
+  956SOL    HW2 4441   1.636   0.671   1.337  0.1957  1.2117 -1.0126
+  957SOL     OW 4442   1.859   1.104   4.526  0.0332  0.0174  0.0503
+  957SOL    HW1 4443   1.931   1.121   4.586  1.9941  2.0372 -2.7132
+  957SOL    HW2 4444   1.786   1.155   4.560  1.4520  2.0461  0.1663
+  958SOL     OW 4445   1.334   2.711   0.282 -0.4253  0.1712 -0.2247
+  958SOL    HW1 4446   1.270   2.779   0.260 -0.7724 -0.7024 -2.1091
+  958SOL    HW2 4447   1.294   2.630   0.249  1.2184 -0.5348 -0.5444
+  959SOL     OW 4448   7.075   1.362   7.603  0.0968 -0.0845  0.3014
+  959SOL    HW1 4449   7.112   1.428   7.545  1.2763 -0.9356  0.0676
+  959SOL    HW2 4450   7.087   1.398   7.691 -0.4342  0.5863  0.1014
+  960SOL     OW 4451   0.180   0.177   7.958  0.4118  0.1043  0.1177
+  960SOL    HW1 4452   0.227   0.176   8.042  0.7707  0.6846 -0.0668
+  960SOL    HW2 4453   0.150   0.087   7.945  0.5450 -0.0326  0.7651
+  961SOL     OW 4454   3.325   0.459   0.297  0.0065 -0.1405 -0.0356
+  961SOL    HW1 4455   3.377   0.397   0.246 -1.4524 -0.0272 -1.7066
+  961SOL    HW2 4456   3.373   0.541   0.289  0.6865 -0.5098  0.1870
+  962SOL     OW 4457   2.525   0.836   5.378 -0.4985 -0.1345 -0.1882
+  962SOL    HW1 4458   2.582   0.852   5.454 -1.1563  1.7924 -0.0701
+  962SOL    HW2 4459   2.585   0.842   5.303 -0.2750  0.4344  0.0285
+  963SOL     OW 4460   2.937   1.974   1.781 -0.0654 -0.1359  0.6093
+  963SOL    HW1 4461   2.843   1.974   1.759  0.6347  1.1341 -2.6938
+  963SOL    HW2 4462   2.955   2.063   1.809  0.2526 -0.2395  0.7343
+  964SOL     OW 4463   0.335   4.086   4.835  0.2434 -0.3216 -0.2991
+  964SOL    HW1 4464   0.355   4.027   4.908 -1.7534 -0.8267 -0.1170
+  964SOL    HW2 4465   0.341   4.030   4.757 -2.2364 -0.9754 -0.0758
+  965SOL     OW 4466   1.188   1.245   7.651  0.5176  0.1828 -0.2314
+  965SOL    HW1 4467   1.168   1.153   7.631  1.2882  0.1279 -0.7747
+  965SOL    HW2 4468   1.190   1.248   7.747 -0.0903 -0.2360 -0.2008
+  966SOL     OW 4469   1.914   1.414   5.482 -0.1630 -0.1255 -0.7566
+  966SOL    HW1 4470   1.954   1.354   5.546 -0.0503 -1.1248 -1.7553
+  966SOL    HW2 4471   1.828   1.434   5.519  0.9696  1.5025  1.0761
+  967SOL     OW 4472   0.439   1.067   5.587  0.3369  0.1682 -0.3495
+  967SOL    HW1 4473   0.440   1.028   5.499  0.7970  1.7188 -1.0579
+  967SOL    HW2 4474   0.363   1.125   5.587  0.6339  0.5586  0.1085
+  968SOL     OW 4475   2.164   7.022   5.526 -0.4332  0.2091 -0.5052
+  968SOL    HW1 4476   2.216   6.942   5.518  0.2631  0.6050  0.0879
+  968SOL    HW2 4477   2.096   7.012   5.459 -1.2106 -1.5300  0.5152
+  969SOL     OW 4478   1.709   1.617   4.683  0.1683 -0.6521  0.2716
+  969SOL    HW1 4479   1.796   1.599   4.717  0.2541  0.0823  0.4505
+  969SOL    HW2 4480   1.651   1.563   4.737  0.3304  0.3093  1.4389
+  970SOL     OW 4481   2.062   0.180   5.501 -0.6201  0.5343 -0.4744
+  970SOL    HW1 4482   2.084   0.246   5.435 -0.5558  0.8546 -0.1345
+  970SOL    HW2 4483   2.120   0.200   5.575 -1.5138  0.9035  0.1324
+  971SOL     OW 4484   7.396   1.431   5.556 -0.0549 -0.1834 -0.0409
+  971SOL    HW1 4485   7.424   1.504   5.500  0.2383 -1.3570 -1.4431
+  971SOL    HW2 4486   7.407   1.464   5.645  3.1297  0.3537 -0.5987
+  972SOL     OW 4487   1.685   6.937   6.476 -0.0649  0.5548 -0.1732
+  972SOL    HW1 4488   1.625   7.009   6.495  0.6979  0.4153  3.0568
+  972SOL    HW2 4489   1.768   6.980   6.456 -0.1110  0.6109 -0.2466
+  973SOL     OW 4490   3.274   1.610   5.868 -0.7482  0.3349  0.0419
+  973SOL    HW1 4491   3.278   1.623   5.963 -2.2178  0.3067  0.1077
+  973SOL    HW2 4492   3.322   1.684   5.832 -0.1126  0.3100  0.7962
+  974SOL     OW 4493   0.471   7.296   1.989  0.3319 -0.4992  0.0981
+  974SOL    HW1 4494   0.484   7.313   2.082 -0.9785  0.2265  0.1676
+  974SOL    HW2 4495   0.549   7.248   1.962  1.1931  0.1842  1.3365
+  975SOL     OW 4496   1.934   1.791   6.053  0.0835  0.2126 -0.6604
+  975SOL    HW1 4497   2.009   1.851   6.046 -0.2639  0.6176 -0.9561
+  975SOL    HW2 4498   1.948   1.727   5.984 -0.5293  1.0650 -1.5954
+  976SOL     OW 4499   2.255   1.452   0.277 -0.2095 -0.2577  0.1724
+  976SOL    HW1 4500   2.176   1.437   0.225  0.7781  0.0544 -1.4563
+  976SOL    HW2 4501   2.285   1.365   0.300 -0.4357 -0.4094 -0.1027
+  977SOL     OW 4502   0.630   7.001   0.329 -0.5722 -0.8011  0.6179
+  977SOL    HW1 4503   0.614   7.045   0.413 -0.3296  0.4301  0.0295
+  977SOL    HW2 4504   0.625   6.908   0.350  0.6777 -0.5385  2.2551
+  978SOL     OW 4505   6.841   0.999   6.142 -0.2036  0.5763 -0.5846
+  978SOL    HW1 4506   6.902   1.066   6.174  0.6742 -0.3859 -0.2017
+  978SOL    HW2 4507   6.869   0.918   6.186 -0.4044 -0.3111 -2.0281
+  979SOL     OW 4508   0.911   0.741   7.414  0.3107  0.3880  0.1330
+  979SOL    HW1 4509   0.960   0.815   7.378 -0.1590  0.1912 -0.9310
+  979SOL    HW2 4510   0.938   0.737   7.506  3.2542 -0.4896 -0.7078
+  980SOL     OW 4511   7.379   1.042   0.218 -0.0234  0.3054 -0.0223
+  980SOL    HW1 4512   7.297   1.088   0.236 -1.2327 -2.1622  1.0627
+  980SOL    HW2 4513   7.359   0.982   0.147  1.4262  1.1085 -1.1499
+  981SOL     OW 4514   7.961   1.079   0.724  0.4791 -0.2812 -0.2319
+  981SOL    HW1 4515   7.996   1.168   0.718  0.8552 -0.4697 -0.9990
+  981SOL    HW2 4516   7.869   1.087   0.697  0.0958  0.1101  1.1527
+  982SOL     OW 4517   0.039   0.156   0.444  0.0536 -0.3851 -0.7109
+  982SOL    HW1 4518  -0.052   0.188   0.441  0.0813 -0.0962  1.2293
+  982SOL    HW2 4519   0.089   0.231   0.476  0.7015 -1.1154 -0.0138
+  983SOL     OW 4520   2.168   1.134   0.661 -0.6106  0.5296  0.0587
+  983SOL    HW1 4521   2.130   1.059   0.707  0.0093 -0.0020 -0.2902
+  983SOL    HW2 4522   2.259   1.137   0.690 -0.8416  1.6537  0.6985
+  984SOL     OW 4523   1.203   0.844   6.893  0.0957  0.7934 -0.0163
+  984SOL    HW1 4524   1.118   0.885   6.875  0.0723 -0.0693 -2.0078
+  984SOL    HW2 4525   1.200   0.822   6.986 -1.7588  1.0140 -0.0048
+  985SOL     OW 4526   1.051   7.544   7.555  0.5938  0.2603  0.2026
+  985SOL    HW1 4527   1.070   7.478   7.489  0.3615  0.1549  0.2387
+  985SOL    HW2 4528   1.122   7.607   7.548  0.4282  0.3898 -0.3325
+  986SOL     OW 4529   1.556   0.623   7.594 -0.1514 -0.0137 -0.2011
+  986SOL    HW1 4530   1.533   0.628   7.686 -0.8060 -0.8230 -0.3107
+  986SOL    HW2 4531   1.647   0.594   7.593  0.5837  2.1955  0.2176
+  987SOL     OW 4532   2.483   0.208   6.139 -0.3085 -0.2051  0.3073
+  987SOL    HW1 4533   2.461   0.142   6.205  2.3327 -0.2953  1.1260
+  987SOL    HW2 4534   2.557   0.170   6.092  0.8921  1.9710  0.4268
+  988SOL     OW 4535   2.364   1.702   7.362 -0.5317  0.3452  0.4525
+  988SOL    HW1 4536   2.382   1.659   7.446 -2.6681  1.1635  1.3586
+  988SOL    HW2 4537   2.382   1.794   7.378 -1.5053  0.5889  0.2057
+  989SOL     OW 4538   1.262   1.331   0.445  0.0667 -0.1320 -0.8587
+  989SOL    HW1 4539   1.176   1.290   0.455 -0.3714  0.4304 -2.1430
+  989SOL    HW2 4540   1.254   1.414   0.492  0.1679 -0.4522 -0.2829
+  990SOL     OW 4541   0.299   7.480   7.135 -0.4565  0.1887 -0.4417
+  990SOL    HW1 4542   0.376   7.440   7.096 -0.8667 -0.0899 -0.9788
+  990SOL    HW2 4543   0.262   7.411   7.190 -1.0095 -0.0933 -1.1525
+  991SOL     OW 4544   1.398   0.808   6.693 -0.0218  0.3448  0.0924
+  991SOL    HW1 4545   1.466   0.775   6.751  1.4724  3.6835  0.3171
+  991SOL    HW2 4546   1.330   0.842   6.752 -0.3406  0.0973 -0.1294
+  992SOL     OW 4547   7.943   0.696   7.703 -0.0522 -0.5989  0.5121
+  992SOL    HW1 4548   7.933   0.731   7.615 -0.8857 -0.6861  0.5663
+  992SOL    HW2 4549   8.029   0.654   7.703  0.4613  0.4528  0.1051
+  993SOL     OW 4550   7.954   1.709   0.168 -0.2866 -0.0968 -0.0660
+  993SOL    HW1 4551   7.885   1.647   0.191  0.5709 -1.3172 -0.7927
+  993SOL    HW2 4552   7.934   1.736   0.078  1.5865 -2.3753 -1.1998
+  994SOL     OW 4553   1.158   7.246   1.864 -0.5441  0.0893  0.2465
+  994SOL    HW1 4554   1.191   7.272   1.778 -0.1080  0.1659  0.4364
+  994SOL    HW2 4555   1.227   7.271   1.925 -1.4700  1.3968  0.7967
+  995SOL     OW 4556   1.287   0.073   5.950  0.2281  0.4579  0.1665
+  995SOL    HW1 4557   1.212   0.017   5.929  0.2156  0.7849 -0.6867
+  995SOL    HW2 4558   1.362   0.030   5.908  0.4081  0.4814  0.4617
+  996SOL     OW 4559   0.205   2.400   5.216  0.4735  0.5456 -0.3950
+  996SOL    HW1 4560   0.238   2.471   5.160  1.1798 -0.5875 -1.4275
+  996SOL    HW2 4561   0.271   2.392   5.285  0.9792  0.1084 -0.9305
+  997SOL     OW 4562   7.688   1.050   0.291 -0.2457 -0.4419 -0.1503
+  997SOL    HW1 4563   7.618   0.988   0.271 -2.0950  0.6701  2.5203
+  997SOL    HW2 4564   7.657   1.133   0.254 -0.0027 -0.1052  0.3914
+  998SOL     OW 4565   3.484   1.025   7.302  0.1346 -0.7877  0.1263
+  998SOL    HW1 4566   3.461   0.964   7.372 -0.7177  0.0916  0.6089
+  998SOL    HW2 4567   3.570   0.994   7.271 -0.2402 -2.1662  0.4314
+  999SOL     OW 4568   2.724   3.617   7.860 -0.6756  0.1301 -0.1650
+  999SOL    HW1 4569   2.755   3.588   7.775  0.0335  0.1633  0.0714
+  999SOL    HW2 4570   2.629   3.606   7.858 -0.7695  1.0742 -1.3161
+ 1000SOL     OW 4571   2.887   0.118   7.126  0.3964  0.9628  0.2762
+ 1000SOL    HW1 4572   2.907   0.033   7.165  1.4788  0.7114 -0.7817
+ 1000SOL    HW2 4573   2.931   0.182   7.183  2.3913  0.5638 -0.7714
+ 1001SOL     OW 4574   2.207   1.349   6.123  0.3741  0.3619 -0.5627
+ 1001SOL    HW1 4575   2.165   1.263   6.118  0.1366  0.5399 -1.7802
+ 1001SOL    HW2 4576   2.273   1.347   6.053  3.4536 -0.4498  2.2241
+ 1002SOL     OW 4577   0.502   1.790   6.565  0.1088  0.0065  0.2128
+ 1002SOL    HW1 4578   0.414   1.752   6.571  0.2260  0.1027  2.7845
+ 1002SOL    HW2 4579   0.528   1.772   6.475 -1.9894 -1.2604 -0.1982
+ 1003SOL     OW 4580   0.136   7.743   1.245 -0.1000  0.1001 -0.5970
+ 1003SOL    HW1 4581   0.161   7.704   1.161 -1.1647 -0.6097 -0.6044
+ 1003SOL    HW2 4582   0.218   7.770   1.285  0.3955  0.8730 -2.0758
+ 1004SOL     OW 4583   1.881   2.294   0.925 -0.2279  0.7820 -0.1652
+ 1004SOL    HW1 4584   1.829   2.374   0.920  0.9191  1.6570  1.3885
+ 1004SOL    HW2 4585   1.837   2.241   0.992 -0.2111  0.6789 -0.2350
+ 1005SOL     OW 4586   1.064   0.644   6.552 -1.0648 -0.1814 -0.5521
+ 1005SOL    HW1 4587   1.052   0.684   6.638  1.4739 -1.4292  0.4305
+ 1005SOL    HW2 4588   1.011   0.565   6.554  0.4799 -1.2286  0.6309
+ 1006SOL     OW 4589   0.793   6.552   0.246  0.6798  0.1658  0.0818
+ 1006SOL    HW1 4590   0.771   6.644   0.263  1.0771  0.1917  0.4428
+ 1006SOL    HW2 4591   0.708   6.507   0.248  0.6029  0.3403  1.0393
+ 1007SOL     OW 4592   1.401   2.246   5.844  0.3592 -0.1834 -0.2096
+ 1007SOL    HW1 4593   1.453   2.194   5.782  0.0382  0.8356 -1.3449
+ 1007SOL    HW2 4594   1.310   2.232   5.818  0.2512  0.6978 -0.3245
+ 1008SOL     OW 4595   7.825   2.139   4.379 -0.4713  0.1292  0.6920
+ 1008SOL    HW1 4596   7.750   2.143   4.320 -0.1244  0.9739  0.2924
+ 1008SOL    HW2 4597   7.891   2.195   4.337  0.0359  0.1634  1.5202
+ 1009SOL     OW 4598   0.233   0.072   5.389  0.0172  0.5623 -0.0412
+ 1009SOL    HW1 4599   0.276   0.156   5.401  0.3085  0.3905  0.1170
+ 1009SOL    HW2 4600   0.276   0.033   5.314  1.3828 -0.3983  1.2086
+ 1010SOL     OW 4601   2.272   2.447   5.433  0.5796  0.1245 -0.5050
+ 1010SOL    HW1 4602   2.333   2.513   5.466  0.2482 -0.5642  1.5263
+ 1010SOL    HW2 4603   2.205   2.439   5.501 -0.0031 -1.4920 -1.2314
+ 1011SOL     OW 4604   1.883   2.039   7.010 -0.3404  0.1663  0.1557
+ 1011SOL    HW1 4605   1.901   1.973   7.078  0.7217  0.1036 -0.1823
+ 1011SOL    HW2 4606   1.793   2.020   6.982 -0.5058 -0.3160  0.9756
+ 1012SOL     OW 4607   0.930   1.475   5.628 -0.8195 -0.1857 -0.3379
+ 1012SOL    HW1 4608   0.883   1.494   5.709  0.4062 -0.9582  0.5780
+ 1012SOL    HW2 4609   0.862   1.451   5.565 -1.8116  0.7712  0.3588
+ 1013SOL     OW 4610   1.444   1.507   7.443  0.1061  0.3214  0.0284
+ 1013SOL    HW1 4611   1.530   1.533   7.409  0.0016  1.2540  0.4368
+ 1013SOL    HW2 4612   1.389   1.585   7.430 -0.3539  0.1483  0.8570
+ 1014SOL     OW 4613   7.049   7.757   7.428 -0.2775 -0.3167 -0.3250
+ 1014SOL    HW1 4614   6.979   7.700   7.398  0.0409 -0.8460 -0.0708
+ 1014SOL    HW2 4615   7.034   7.766   7.522 -0.7497  0.6094 -0.4862
+ 1015SOL     OW 4616   2.136   0.780   7.574  0.0143  0.2455  0.2807
+ 1015SOL    HW1 4617   2.219   0.733   7.564  0.1713  0.7731 -0.9255
+ 1015SOL    HW2 4618   2.109   0.800   7.485 -1.0149  0.7834  0.7103
+ 1016SOL     OW 4619   1.260   0.384   0.200  0.5084 -0.4532  0.4046
+ 1016SOL    HW1 4620   1.349   0.353   0.214  0.1261 -1.3364  0.9246
+ 1016SOL    HW2 4621   1.232   0.417   0.286 -0.3211 -1.9218  0.7297
+ 1017SOL     OW 4622   1.705   2.522   6.727  0.4096  0.0826  0.3197
+ 1017SOL    HW1 4623   1.700   2.426   6.721 -0.7864  0.0400  1.7551
+ 1017SOL    HW2 4624   1.778   2.538   6.786  1.0464  0.0902 -0.4534
+ 1018SOL     OW 4625   6.827   7.581   7.385  0.5183  0.1267  0.4760
+ 1018SOL    HW1 4626   6.810   7.503   7.331 -0.6688 -0.1325  1.2183
+ 1018SOL    HW2 4627   6.821   7.550   7.475 -1.9551  1.4646  0.8112
+ 1019SOL     OW 4628   0.751   1.712   7.653  0.5566 -0.3580 -0.0765
+ 1019SOL    HW1 4629   0.775   1.632   7.605 -1.9636 -0.9903 -0.3788
+ 1019SOL    HW2 4630   0.742   1.779   7.585 -1.0066 -0.7535 -0.2742
+ 1020SOL     OW 4631   7.108   0.447   6.259 -0.2453 -0.3584  0.2122
+ 1020SOL    HW1 4632   7.019   0.464   6.291 -0.0675 -0.0783  0.5657
+ 1020SOL    HW2 4633   7.096   0.385   6.187 -0.7777  0.1408 -0.1374
+ 1021SOL     OW 4634   1.650   1.282   5.994 -0.3278  0.4499 -0.0662
+ 1021SOL    HW1 4635   1.571   1.295   6.048  0.2630 -1.9121  1.4696
+ 1021SOL    HW2 4636   1.644   1.190   5.966  2.5854 -0.1912  1.2826
+ 1022SOL     OW 4637   1.631   0.161   6.718 -0.3632  0.5804  0.3457
+ 1022SOL    HW1 4638   1.682   0.083   6.741  0.7777  0.7423 -1.5088
+ 1022SOL    HW2 4639   1.636   0.217   6.795  2.1471  0.5245  0.2594
+ 1023SOL     OW 4640   7.976   1.116   5.711  0.1739  0.6008 -0.4818
+ 1023SOL    HW1 4641   7.886   1.141   5.731 -0.0495  1.4052 -2.4202
+ 1023SOL    HW2 4642   7.997   1.050   5.777 -1.8308  0.3898 -0.0131
+ 1024SOL     OW 4643   3.295   7.898   0.060  0.4026  0.3790  0.1977
+ 1024SOL    HW1 4644   3.277   7.804   0.053 -0.2823  0.4393  1.0240
+ 1024SOL    HW2 4645   3.209   7.938   0.072  0.6887  1.1202 -0.1932
+ 1025SOL     OW 4646   7.768   7.818   0.972 -0.2822 -0.1182  0.3462
+ 1025SOL    HW1 4647   7.736   7.852   1.055 -0.8831 -1.2238  0.5772
+ 1025SOL    HW2 4648   7.855   7.857   0.961  1.3102 -2.6493  3.1833
+ 1026SOL     OW 4649   1.936   1.503   0.193  0.5655  0.2693  0.0460
+ 1026SOL    HW1 4650   1.985   1.523   0.114  2.1859 -0.9951  0.7072
+ 1026SOL    HW2 4651   1.893   1.419   0.174  0.4722  0.2632  0.2802
+ 1027SOL     OW 4652   2.733   0.964   6.238  0.1040 -0.0741  0.7871
+ 1027SOL    HW1 4653   2.730   0.868   6.247 -1.8511  0.0609  1.6460
+ 1027SOL    HW2 4654   2.681   0.983   6.160  1.4780  0.2275 -0.0844
+ 1028SOL     OW 4655   1.524   0.785   6.364 -0.5515  0.4111  1.1995
+ 1028SOL    HW1 4656   1.615   0.802   6.390 -0.5607 -0.3207  1.7234
+ 1028SOL    HW2 4657   1.491   0.725   6.431 -0.8323 -0.8449 -0.0306
+ 1029SOL     OW 4658   7.106   0.611   1.065 -0.5778 -0.6906  0.5149
+ 1029SOL    HW1 4659   7.077   0.540   1.123 -0.6771 -0.4738  0.7323
+ 1029SOL    HW2 4660   7.084   0.580   0.977 -1.1115 -0.7048  0.6461
+ 1030SOL     OW 4661   3.669   1.279   7.551  0.5494 -0.3665  0.3733
+ 1030SOL    HW1 4662   3.746   1.225   7.534  0.9697 -0.3479  2.1159
+ 1030SOL    HW2 4663   3.611   1.223   7.603 -1.2575 -0.8664 -2.1213
+ 1031SOL     OW 4664   0.172   7.548   0.622  0.0641  0.7281  0.2688
+ 1031SOL    HW1 4665   0.209   7.460   0.630  1.4560  0.9524 -2.9853
+ 1031SOL    HW2 4666   0.186   7.588   0.708 -0.0295 -1.9994  1.5941
+ 1032SOL     OW 4667   2.473   6.978   5.983 -0.2277 -0.7272  0.0854
+ 1032SOL    HW1 4668   2.424   6.896   5.986  0.1197 -1.0218 -1.6395
+ 1032SOL    HW2 4669   2.565   6.950   5.978 -0.1430 -0.2675 -1.1958
+ 1033SOL     OW 4670   2.556   1.504   7.232 -0.4512  0.1329 -0.2537
+ 1033SOL    HW1 4671   2.650   1.520   7.238 -0.0717 -2.6453  1.8949
+ 1033SOL    HW2 4672   2.517   1.592   7.228  2.2134  1.3037 -1.5081
+ 1034SOL     OW 4673   2.006   0.204   7.103 -0.4281 -0.5410 -0.5424
+ 1034SOL    HW1 4674   1.928   0.149   7.110  0.3285 -1.4539  0.9916
+ 1034SOL    HW2 4675   1.987   0.281   7.157 -1.2220  0.4323 -2.1555
+ 1035SOL     OW 4676   1.869   1.354   4.786  0.1520  0.3101  0.0828
+ 1035SOL    HW1 4677   1.774   1.343   4.788  0.3697 -1.6583  0.3978
+ 1035SOL    HW2 4678   1.890   1.358   4.692 -0.1772  0.2530  0.0050
+ 1036SOL     OW 4679   1.689   0.921   5.121 -0.4732  0.0722  0.2771
+ 1036SOL    HW1 4680   1.646   0.863   5.058 -0.5690  1.0672 -0.5852
+ 1036SOL    HW2 4681   1.630   0.995   5.130  1.1915  1.6310 -1.2003
+ 1037SOL     OW 4682   7.419   0.111   7.377 -0.4400 -0.7731  0.3308
+ 1037SOL    HW1 4683   7.427   0.206   7.363 -2.8666 -0.5787  0.1389
+ 1037SOL    HW2 4684   7.330   0.090   7.350  0.1091 -3.1521  0.2739
+ 1038SOL     OW 4685   0.075   0.319   7.451  0.0946  0.3574  0.2107
+ 1038SOL    HW1 4686   0.007   0.337   7.387  0.4693  3.7941  0.6595
+ 1038SOL    HW2 4687   0.157   0.331   7.403  0.3719  2.5873  1.1594
+ 1039SOL     OW 4688   7.542   7.838   6.287 -0.6246  0.3949  0.2124
+ 1039SOL    HW1 4689   7.481   7.910   6.268  0.9451  1.3062 -1.5376
+ 1039SOL    HW2 4690   7.625   7.881   6.305 -0.5242 -0.8175  3.0028
+ 1040SOL     OW 4691   3.342   1.231   7.475  0.3960  0.1482  0.0291
+ 1040SOL    HW1 4692   3.258   1.261   7.440 -0.1062 -0.2539  0.8818
+ 1040SOL    HW2 4693   3.380   1.179   7.404 -1.0321 -1.4274  0.3777
+ 1041SOL     OW 4694   0.184   2.086   5.838  0.5497 -0.2970 -0.1288
+ 1041SOL    HW1 4695   0.263   2.099   5.786  0.4567 -0.4675 -0.3173
+ 1041SOL    HW2 4696   0.191   2.149   5.909  2.0189 -1.9181  1.2228
+ 1042SOL     OW 4697   0.271   1.319   7.041 -0.1739 -0.5365 -0.0071
+ 1042SOL    HW1 4698   0.268   1.289   7.131 -1.1267 -1.5067 -0.3578
+ 1042SOL    HW2 4699   0.335   1.391   7.042  0.6501 -1.2681  1.2109
+ 1043SOL     OW 4700   1.873   1.536   7.809  0.0412 -0.1105  0.8051
+ 1043SOL    HW1 4701   1.788   1.497   7.827 -0.2413  0.4061  0.6266
+ 1043SOL    HW2 4702   1.928   1.463   7.780 -1.1398 -0.0451 -1.8119
+ 1044SOL     OW 4703   1.537   0.533   7.984  0.6831  0.8987 -0.0887
+ 1044SOL    HW1 4704   1.475   0.563   8.050 -0.1211  2.2977 -1.4538
+ 1044SOL    HW2 4705   1.492   0.460   7.941  1.5637 -0.5880  1.4649
+ 1045SOL     OW 4706   2.382   4.938   4.924 -0.3998  0.2752  0.7510
+ 1045SOL    HW1 4707   2.341   4.852   4.916  0.6064 -0.3044  1.7327
+ 1045SOL    HW2 4708   2.457   4.935   4.865 -0.9821  0.8527 -0.0157
+ 1046SOL     OW 4709   0.747   1.026   7.136 -1.0601 -0.0245 -0.3854
+ 1046SOL    HW1 4710   0.770   0.935   7.120 -1.0568 -0.0230 -0.3898
+ 1046SOL    HW2 4711   0.680   1.023   7.204  0.4540  0.0694  1.1852
+ 1047SOL     OW 4712   7.286   1.295   4.163 -0.2355 -0.4576  0.2192
+ 1047SOL    HW1 4713   7.268   1.376   4.115  1.1285 -0.6422 -0.6408
+ 1047SOL    HW2 4714   7.378   1.302   4.187 -0.2767 -1.4732  0.6814
+ 1048SOL     OW 4715   1.261   7.103   7.762 -0.0418  0.0173  0.0979
+ 1048SOL    HW1 4716   1.294   7.082   7.850 -1.3480 -3.7124 -0.2264
+ 1048SOL    HW2 4717   1.300   7.037   7.705  0.9373  2.5093 -2.2419
+ 1049SOL     OW 4718   7.396   0.371   7.913 -0.6275 -0.2107 -0.2421
+ 1049SOL    HW1 4719   7.426   0.348   8.001 -2.0972 -1.4108 -0.0316
+ 1049SOL    HW2 4720   7.443   0.452   7.892  1.3514 -1.0645  0.7780
+ 1050SOL     OW 4721   7.544   1.354   6.065  0.4885 -0.8054  0.3661
+ 1050SOL    HW1 4722   7.618   1.299   6.093  0.7682  0.3284  1.8917
+ 1050SOL    HW2 4723   7.584   1.424   6.015  0.3745 -0.5611  0.6190
+ 1051SOL     OW 4724   0.862   0.991   0.077 -0.0732  0.0144 -0.1039
+ 1051SOL    HW1 4725   0.818   1.072   0.103 -0.3356 -0.1594 -0.0060
+ 1051SOL    HW2 4726   0.894   0.953   0.158  0.5556  0.3132 -0.2126
+ 1052SOL     OW 4727   0.485   0.415   6.688  0.6079  0.2723  0.7924
+ 1052SOL    HW1 4728   0.423   0.447   6.755 -2.0541 -2.6519 -0.1458
+ 1052SOL    HW2 4729   0.487   0.485   6.623 -0.8559  0.9208  1.4023
+ 1053SOL     OW 4730   2.340   1.114   7.500  0.5247  0.3290 -0.1389
+ 1053SOL    HW1 4731   2.245   1.119   7.487  0.3158 -1.3379  0.5124
+ 1053SOL    HW2 4732   2.364   1.030   7.461  1.6701  0.5634  0.0613
+ 1054SOL     OW 4733   3.780   0.444   6.345 -0.2176 -0.2393  0.1449
+ 1054SOL    HW1 4734   3.824   0.495   6.278 -0.9577 -1.4539 -1.2952
+ 1054SOL    HW2 4735   3.770   0.504   6.419  1.3915  0.8442 -0.5100
+ 1055SOL     OW 4736   3.966   7.747   7.267  0.4498  0.1026  0.0772
+ 1055SOL    HW1 4737   4.028   7.676   7.253  2.0634  1.4402  0.3752
+ 1055SOL    HW2 4738   4.006   7.823   7.224 -1.6890  0.6337 -1.0635
+ 1056SOL     OW 4739   1.182   2.840   4.595 -0.2995 -0.2312 -0.4962
+ 1056SOL    HW1 4740   1.114   2.845   4.528 -1.7289 -1.3246  0.8333
+ 1056SOL    HW2 4741   1.144   2.784   4.663  1.2953  0.4861  1.0113
+ 1057SOL     OW 4742   0.585   7.925   1.320  0.1225  0.7797  0.0338
+ 1057SOL    HW1 4743   0.645   7.852   1.306  0.2585  0.8938  0.0235
+ 1057SOL    HW2 4744   0.508   7.903   1.268 -0.2293  0.1724  0.8043
+ 1058SOL     OW 4745   1.091   0.076   0.333  0.5489 -0.1589  0.6940
+ 1058SOL    HW1 4746   1.110   0.114   0.247 -0.9327  0.0955  0.4608
+ 1058SOL    HW2 4747   1.100  -0.018   0.321  0.3796 -0.1191  0.2727
+ 1059SOL     OW 4748   0.128   6.968   7.249 -0.6806 -0.6092 -0.3219
+ 1059SOL    HW1 4749   0.075   6.957   7.328  0.4996  0.0243  0.5821
+ 1059SOL    HW2 4750   0.088   6.909   7.185 -3.8223  1.4849 -0.3879
+ 1060SOL     OW 4751   3.801   6.996   0.359 -0.2388 -0.3099  0.6265
+ 1060SOL    HW1 4752   3.769   6.983   0.269  0.5537 -1.9117  0.5488
+ 1060SOL    HW2 4753   3.896   6.998   0.350 -0.1625 -0.3217  1.4160
+ 1061SOL     OW 4754   0.698   1.937   0.502 -0.1754  0.1676 -0.3322
+ 1061SOL    HW1 4755   0.727   1.933   0.411  0.5848 -1.0934 -0.0482
+ 1061SOL    HW2 4756   0.607   1.910   0.500 -0.0807 -0.1312 -0.6874
+ 1062SOL     OW 4757   0.480   1.061   6.901  0.0662  0.0454  0.0164
+ 1062SOL    HW1 4758   0.500   0.972   6.875  0.4947  0.0325  0.3777
+ 1062SOL    HW2 4759   0.536   1.077   6.977 -1.4235 -0.0614  1.1811
+ 1063SOL     OW 4760   0.436   0.394   6.357 -0.2205  0.1480  0.0884
+ 1063SOL    HW1 4761   0.438   0.366   6.266  0.4128  0.9847 -0.1691
+ 1063SOL    HW2 4762   0.380   0.331   6.402  0.4307 -0.9585 -0.6468
+ 1064SOL     OW 4763   6.925   0.698   7.305  0.5399  0.0461 -0.2290
+ 1064SOL    HW1 4764   6.983   0.688   7.230  0.2798  1.8411 -0.6901
+ 1064SOL    HW2 4765   6.973   0.755   7.365 -0.1467  0.3508  0.0338
+ 1065SOL     OW 4766   1.541   1.518   5.056  0.2477  0.2395  0.6194
+ 1065SOL    HW1 4767   1.526   1.608   5.083  0.7621 -0.1139  2.1178
+ 1065SOL    HW2 4768   1.612   1.487   5.113 -1.3718 -1.7730  1.6199
+ 1066SOL     OW 4769   0.608   0.670   6.605 -0.0053 -0.1102  0.6073
+ 1066SOL    HW1 4770   0.656   0.752   6.600  1.0979 -0.7875 -0.1588
+ 1066SOL    HW2 4771   0.521   0.694   6.635  0.1283  1.3970 -0.2142
+ 1067SOL     OW 4772   0.719   1.424   0.041  0.4046  0.2795 -0.0070
+ 1067SOL    HW1 4773   0.680   1.337   0.028  0.0091  0.4956 -0.2870
+ 1067SOL    HW2 4774   0.766   1.417   0.124  0.3429 -0.1919 -0.0082
+ 1068SOL     OW 4775   7.908   0.009   7.361 -0.3927 -0.3265 -0.4303
+ 1068SOL    HW1 4776   7.874   0.089   7.403 -0.9530 -0.6864 -0.1993
+ 1068SOL    HW2 4777   7.844  -0.012   7.294 -0.9835 -1.3860  0.4478
+ 1069SOL     OW 4778   1.869   0.422   6.652  0.0133 -0.6074  0.2703
+ 1069SOL    HW1 4779   1.883   0.460   6.565 -2.5539 -0.9599 -0.3397
+ 1069SOL    HW2 4780   1.826   0.492   6.702 -0.1354 -0.9952  0.6943
+ 1070SOL     OW 4781   7.479   0.076   7.729  0.1607  0.0174 -0.4022
+ 1070SOL    HW1 4782   7.539   0.141   7.693  2.2162 -2.2138 -1.0993
+ 1070SOL    HW2 4783   7.502   0.071   7.822 -0.6341  0.9088 -0.1396
+ 1071SOL     OW 4784   0.898   1.518   0.307  0.8644  0.3819 -0.0861
+ 1071SOL    HW1 4785   0.828   1.511   0.371 -0.1874  0.8841 -1.1618
+ 1071SOL    HW2 4786   0.966   1.570   0.351  0.0867  0.8637  0.5608
+ 1072SOL     OW 4787   1.136   1.668   7.162 -0.0606  0.4310  0.4526
+ 1072SOL    HW1 4788   1.052   1.623   7.175 -0.1949  0.9574  1.4541
+ 1072SOL    HW2 4789   1.133   1.743   7.221 -0.2370  2.3544 -1.9169
+ 1073SOL     OW 4790   1.251   7.865   7.919 -0.7971 -0.0122 -0.9278
+ 1073SOL    HW1 4791   1.224   7.778   7.889  2.8888 -1.5441 -0.1057
+ 1073SOL    HW2 4792   1.232   7.923   7.845  0.8887 -2.3598 -3.2943
+ 1074SOL     OW 4793   1.169   6.032   6.919  0.6395  0.1977  0.8648
+ 1074SOL    HW1 4794   1.247   6.086   6.905  0.8304 -0.1669  0.5431
+ 1074SOL    HW2 4795   1.153   5.990   6.835  0.8948 -0.7942  1.3040
+ 1075SOL     OW 4796   2.153   7.957   5.018  0.5039 -0.4467 -0.2525
+ 1075SOL    HW1 4797   2.247   7.967   5.000  0.3526 -0.9772 -1.3942
+ 1075SOL    HW2 4798   2.111   8.020   4.959  0.0097 -2.0469 -1.6492
+ 1076SOL     OW 4799   2.297   2.141   7.663 -0.2285 -0.2944  0.3437
+ 1076SOL    HW1 4800   2.238   2.201   7.616  1.2707  1.0186  0.0991
+ 1076SOL    HW2 4801   2.247   2.059   7.669 -2.1714  0.8398  0.3495
+ 1077SOL     OW 4802   0.458   1.421   7.737 -0.6505  0.3732 -0.9818
+ 1077SOL    HW1 4803   0.374   1.464   7.754 -0.4926 -0.1078  1.0304
+ 1077SOL    HW2 4804   0.481   1.378   7.819  2.0491  1.2854 -1.1998
+ 1078SOL     OW 4805   0.169   1.327   6.318 -0.5805 -0.1519 -0.2123
+ 1078SOL    HW1 4806   0.102   1.395   6.314 -0.3499  0.2183  1.6393
+ 1078SOL    HW2 4807   0.128   1.251   6.276 -1.4544  0.6292 -0.7955
+ 1079SOL     OW 4808   3.200   0.445   0.807 -0.3427 -0.4387 -0.2370
+ 1079SOL    HW1 4809   3.221   0.475   0.718  0.3876 -0.9302 -0.2304
+ 1079SOL    HW2 4810   3.215   0.522   0.862 -0.7933 -0.1326 -0.5351
+ 1080SOL     OW 4811   1.452   0.590   6.183  0.6712  0.4035 -0.5303
+ 1080SOL    HW1 4812   1.458   0.653   6.254 -0.1083  0.0257 -0.1265
+ 1080SOL    HW2 4813   1.502   0.514   6.214 -1.4657 -0.6129  0.5474
+ 1081SOL     OW 4814   7.944   1.332   5.942  0.0680 -0.3452  0.0669
+ 1081SOL    HW1 4815   8.040   1.325   5.938  0.2388  0.2087  2.4738
+ 1081SOL    HW2 4816   7.913   1.275   5.871  2.1425 -1.4619  0.0174
+ 1082SOL     OW 4817   0.572   1.793   5.976 -0.1016 -0.2540 -0.0028
+ 1082SOL    HW1 4818   0.662   1.805   5.946  0.1970 -0.6594  0.7279
+ 1082SOL    HW2 4819   0.525   1.868   5.939  0.0850 -1.1204 -2.0985
+ 1083SOL     OW 4820   1.644   1.150   6.523  0.4732  0.6183 -0.2517
+ 1083SOL    HW1 4821   1.572   1.111   6.572  2.0480 -0.0175  1.5891
+ 1083SOL    HW2 4822   1.634   1.115   6.434 -0.8312 -0.3405  0.2678
+ 1084SOL     OW 4823   1.107   0.288   0.868  0.7513 -0.6100 -0.3857
+ 1084SOL    HW1 4824   1.053   0.316   0.794  0.6949 -0.6723 -0.3682
+ 1084SOL    HW2 4825   1.197   0.293   0.836  0.8461  1.1013  0.1034
+ 1085SOL     OW 4826   7.746   1.487   5.714 -0.3182 -0.0531  0.6717
+ 1085SOL    HW1 4827   7.775   1.436   5.637 -0.6618  0.2351  0.3492
+ 1085SOL    HW2 4828   7.788   1.572   5.704 -0.6724  0.1170  0.5904
+ 1086SOL     OW 4829   0.223   1.523   7.387  0.3377  0.2740  0.8354
+ 1086SOL    HW1 4830   0.308   1.568   7.397 -1.0489  2.7973  1.7812
+ 1086SOL    HW2 4831   0.167   1.564   7.453 -1.9596 -0.5446 -0.5846
+ 1087SOL     OW 4832   3.085   7.900   1.470  0.1346 -0.0776 -0.0543
+ 1087SOL    HW1 4833   3.087   7.826   1.530  0.7673  0.5043  0.6588
+ 1087SOL    HW2 4834   3.013   7.955   1.501 -0.0916 -0.2025 -0.3533
+ 1088SOL     OW 4835   1.405   2.473   7.281  0.1376 -0.2488 -0.3904
+ 1088SOL    HW1 4836   1.376   2.382   7.287 -0.3063 -0.1029 -0.3731
+ 1088SOL    HW2 4837   1.469   2.473   7.210 -1.0798 -0.2520 -1.5003
+ 1089SOL     OW 4838   1.220   7.977   7.683  0.2196  0.1523 -0.0598
+ 1089SOL    HW1 4839   1.187   8.066   7.681  1.1600  0.5519  1.1625
+ 1089SOL    HW2 4840   1.152   7.924   7.642 -0.6654  1.3318 -0.1193
+ 1090SOL     OW 4841   7.977   2.050   7.108  0.6449  0.1504  0.6244
+ 1090SOL    HW1 4842   7.967   2.099   7.189 -0.3595  0.3145  0.4051
+ 1090SOL    HW2 4843   8.067   2.070   7.079  0.6679  0.8685  1.1805
+ 1091SOL     OW 4844   0.892   7.589   0.267  0.0513  0.9135 -0.4194
+ 1091SOL    HW1 4845   0.804   7.552   0.259  0.2431  0.6078 -1.1540
+ 1091SOL    HW2 4846   0.937   7.560   0.188  1.2997 -0.2276  0.6917
+ 1092SOL     OW 4847   2.879   1.928   7.322 -0.3933 -0.1069  0.1712
+ 1092SOL    HW1 4848   2.856   1.999   7.382  0.3627  0.5666 -0.3228
+ 1092SOL    HW2 4849   2.800   1.914   7.270  0.2450  2.1774 -1.5094
+ 1093SOL     OW 4850   1.082   0.588   5.830 -0.0130  0.2320  0.1228
+ 1093SOL    HW1 4851   0.998   0.629   5.849 -0.0423 -0.0736  0.6679
+ 1093SOL    HW2 4852   1.146   0.639   5.882  0.0080 -0.1385  0.4602
+ 1094SOL     OW 4853   0.237   1.638   0.154  0.0152 -0.4257 -0.1410
+ 1094SOL    HW1 4854   0.164   1.699   0.160  0.9295  0.7141 -0.4498
+ 1094SOL    HW2 4855   0.249   1.623   0.060  1.6974  1.2799 -0.2327
+ 1095SOL     OW 4856   7.929   6.706   0.291 -0.2622 -0.2720  0.0073
+ 1095SOL    HW1 4857   7.924   6.611   0.304 -2.5537 -0.4139 -1.4744
+ 1095SOL    HW2 4858   7.852   6.739   0.337  1.9526  1.1983  2.7837
+ 1096SOL     OW 4859   2.002   1.001   6.318 -0.0978 -0.2793  0.2879
+ 1096SOL    HW1 4860   2.089   0.964   6.299  0.3774  0.1974  1.5149
+ 1096SOL    HW2 4861   2.018   1.094   6.333 -0.8525 -0.1539  0.3325
+ 1097SOL     OW 4862   3.478   0.963   5.618  0.3801  0.1794  0.6364
+ 1097SOL    HW1 4863   3.458   0.871   5.603 -0.0060  0.3752 -0.0514
+ 1097SOL    HW2 4864   3.393   1.006   5.624  0.5602  0.5147  0.8167
+ 1098SOL     OW 4865   7.335   0.015   0.912 -0.2614  0.3897 -0.3230
+ 1098SOL    HW1 4866   7.394   0.076   0.868  0.0555  0.0278 -0.4045
+ 1098SOL    HW2 4867   7.339  -0.065   0.860  0.8432 -0.3656  0.8707
+ 1099SOL     OW 4868   0.695   0.357   0.129  0.1201 -0.0809 -0.5263
+ 1099SOL    HW1 4869   0.632   0.287   0.151  1.2147 -0.5047  1.3484
+ 1099SOL    HW2 4870   0.690   0.364   0.034 -0.5430 -2.2313 -0.6798
+ 1100SOL     OW 4871   0.868   2.212   7.070 -0.0767 -1.3674  0.0489
+ 1100SOL    HW1 4872   0.786   2.181   7.032 -0.8721 -0.9913  1.4281
+ 1100SOL    HW2 4873   0.912   2.132   7.100 -0.6256 -1.4395  0.6555
+ 1101SOL     OW 4874   0.825   7.600   7.042  0.2520 -0.0140 -0.4481
+ 1101SOL    HW1 4875   0.778   7.540   6.984 -0.5301  0.8308 -0.7009
+ 1101SOL    HW2 4876   0.871   7.660   6.984 -0.5463  0.8455 -0.2052
+ 1102SOL     OW 4877   2.079   2.303   6.646 -0.2046  0.2099 -0.3319
+ 1102SOL    HW1 4878   2.122   2.255   6.575 -1.2543  0.1989 -0.9798
+ 1102SOL    HW2 4879   2.085   2.395   6.620 -0.2552  0.2331 -0.2611
+ 1103SOL     OW 4880   1.092   1.970   0.574  0.1938 -0.5483  0.3893
+ 1103SOL    HW1 4881   1.084   1.988   0.480  0.5286 -2.1416  0.0540
+ 1103SOL    HW2 4882   1.186   1.972   0.591  0.1231 -0.1139  0.7189
+ 1104SOL     OW 4883   1.342   0.185   7.355  0.1832  0.8134  0.9520
+ 1104SOL    HW1 4884   1.381   0.204   7.270 -1.3685  0.9552  0.2720
+ 1104SOL    HW2 4885   1.305   0.268   7.384 -2.3551  0.0052  0.1585
+ 1105SOL     OW 4886   3.058   1.655   0.656  0.0474 -0.0308  0.0100
+ 1105SOL    HW1 4887   3.134   1.704   0.688 -0.9793  1.7714 -0.2355
+ 1105SOL    HW2 4888   3.093   1.568   0.636  2.2007  0.9509 -0.7361
+ 1106SOL     OW 4889   2.798   1.498   6.031  0.2840 -0.0979  0.2262
+ 1106SOL    HW1 4890   2.737   1.479   5.959  0.4809 -1.7135  0.4503
+ 1106SOL    HW2 4891   2.743   1.495   6.110  0.1798  1.0532  0.1948
+ 1107SOL     OW 4892   3.244   1.020   7.739  0.0390  0.2494  0.6536
+ 1107SOL    HW1 4893   3.232   0.965   7.817  1.9382 -0.9501  0.1224
+ 1107SOL    HW2 4894   3.239   0.959   7.666 -2.1500  1.4291 -0.2487
+ 1108SOL     OW 4895   0.667   0.080   0.390  0.1244 -0.3031  0.4327
+ 1108SOL    HW1 4896   0.598   0.051   0.329  0.5809  0.2117 -0.3335
+ 1108SOL    HW2 4897   0.736   0.014   0.380  0.8304  0.5957 -0.7259
+ 1109SOL     OW 4898   0.293   7.241   0.111  0.2743  0.8916  0.9582
+ 1109SOL    HW1 4899   0.303   7.291   0.030  1.2088  0.5020  0.8185
+ 1109SOL    HW2 4900   0.376   7.194   0.120 -0.4247 -0.3052  1.3048
+ 1110SOL     OW 4901   0.534   1.193   4.693  0.0779 -0.0823  0.1400
+ 1110SOL    HW1 4902   0.484   1.111   4.698 -1.0174  0.5451 -0.2821
+ 1110SOL    HW2 4903   0.577   1.200   4.778 -1.6625  0.0562  1.0227
+ 1111SOL     OW 4904   1.142   7.734   7.169  0.0450  0.0281 -0.0745
+ 1111SOL    HW1 4905   1.178   7.740   7.080 -0.2900  1.8668 -0.0925
+ 1111SOL    HW2 4906   1.159   7.819   7.208 -2.7091  0.3421  0.5399
+ 1112SOL     OW 4907   7.893   2.148   7.935 -0.2207  0.5627 -0.0465
+ 1112SOL    HW1 4908   7.974   2.157   7.885 -0.4056  1.4783 -0.1919
+ 1112SOL    HW2 4909   7.921   2.150   8.027 -0.0786  0.8790 -0.0968
+ 1113SOL     OW 4910   3.069   2.415   3.739  0.1523  0.0581 -0.0122
+ 1113SOL    HW1 4911   3.124   2.374   3.673 -0.6030 -0.3549 -0.3973
+ 1113SOL    HW2 4912   3.016   2.344   3.774 -1.0391  0.6547 -0.5593
+ 1114SOL     OW 4913   1.155   0.576   7.511  0.3146 -0.1661 -0.3489
+ 1114SOL    HW1 4914   1.067   0.541   7.521  0.1475 -0.0525 -1.3897
+ 1114SOL    HW2 4915   1.168   0.633   7.587 -1.3423  1.6182 -1.3678
+ 1115SOL     OW 4916   1.494   7.963   5.854  0.7613 -0.1641  0.3452
+ 1115SOL    HW1 4917   1.525   7.892   5.911  1.7313 -0.3782 -0.4399
+ 1115SOL    HW2 4918   1.533   7.945   5.769 -2.6014 -1.1996 -1.0842
+ 1116SOL     OW 4919   0.269   1.591   7.786 -0.0551  0.1363  0.5674
+ 1116SOL    HW1 4920   0.229   1.656   7.727  0.1431  0.7116  1.0549
+ 1116SOL    HW2 4921   0.355   1.628   7.808  0.5696 -0.8887 -0.1342
+ 1117SOL     OW 4922   2.873   0.660   7.335  0.2603 -0.3552 -0.0664
+ 1117SOL    HW1 4923   2.869   0.566   7.318 -1.7028 -0.6168  1.5735
+ 1117SOL    HW2 4924   2.893   0.666   7.429 -0.3295  0.8280 -0.0101
+ 1118SOL     OW 4925   1.857   1.282   6.672 -0.4639  0.1265 -0.6354
+ 1118SOL    HW1 4926   1.932   1.244   6.626  0.3733  0.9532  0.0409
+ 1118SOL    HW2 4927   1.782   1.231   6.640  0.5406 -1.5963 -0.3062
+ 1119SOL     OW 4928   0.055   1.226   1.130  0.2554  0.7855 -0.6774
+ 1119SOL    HW1 4929   0.105   1.145   1.118  0.1878  0.4704  1.0137
+ 1119SOL    HW2 4930   0.120   1.292   1.151  0.1700  0.8616 -0.6519
+ 1120SOL     OW 4931   1.841   1.816   6.820  0.4286 -0.0709  0.4604
+ 1120SOL    HW1 4932   1.746   1.805   6.829  0.3702 -0.8755 -1.0017
+ 1120SOL    HW2 4933   1.865   1.758   6.748  2.0776 -0.0504  0.9779
+ 1121SOL     OW 4934   0.224   2.080   7.610  0.0579 -0.4516  0.1207
+ 1121SOL    HW1 4935   0.252   1.997   7.571 -0.0552 -1.1078  1.4189
+ 1121SOL    HW2 4936   0.288   2.144   7.578  0.1982 -1.0457 -0.8169
+ 1122SOL     OW 4937   0.626   0.777   0.687  0.2100 -0.2029 -0.5976
+ 1122SOL    HW1 4938   0.583   0.857   0.718 -0.7194 -1.6402  1.9395
+ 1122SOL    HW2 4939   0.565   0.741   0.622 -1.1688 -0.8120  1.0130
+ 1123SOL     OW 4940   2.402   1.634   0.452 -0.0447  0.2725 -0.3369
+ 1123SOL    HW1 4941   2.323   1.606   0.407  0.1552 -1.3364  0.2970
+ 1123SOL    HW2 4942   2.403   1.729   0.441 -3.3943  0.6471  1.7070
+ 1124SOL     OW 4943   1.025   7.137   7.620  0.5473 -0.5845  0.0244
+ 1124SOL    HW1 4944   1.107   7.138   7.669  1.9568  0.4493 -2.2633
+ 1124SOL    HW2 4945   0.970   7.202   7.664  1.5292 -0.1527  0.6409
+ 1125SOL     OW 4946   1.416   0.631   5.677  0.8600 -0.0359 -0.5823
+ 1125SOL    HW1 4947   1.422   0.586   5.762 -0.0330  1.6068  0.3927
+ 1125SOL    HW2 4948   1.323   0.628   5.655  0.8167  1.0739 -0.6201
+ 1126SOL     OW 4949   0.302   0.602   7.535 -0.0669 -0.0601  0.4197
+ 1126SOL    HW1 4950   0.244   0.574   7.606  0.6636  2.4806  2.0462
+ 1126SOL    HW2 4951   0.335   0.519   7.498  0.2115 -1.4462  3.5824
+ 1127SOL     OW 4952   2.372   1.154   0.035  0.0531  0.3481  0.1561
+ 1127SOL    HW1 4953   2.395   1.162   0.128 -0.6215 -0.1010  0.3662
+ 1127SOL    HW2 4954   2.306   1.085   0.033  0.8987 -0.4409 -0.8008
+ 1128SOL     OW 4955   7.161   1.725   0.800  0.0031  0.0948 -0.2594
+ 1128SOL    HW1 4956   7.091   1.790   0.806  1.3485  1.5215  0.2680
+ 1128SOL    HW2 4957   7.132   1.664   0.732  0.0326  2.8817 -2.8730
+ 1129SOL     OW 4958   7.895   1.428   7.783 -0.8170 -0.3257  0.0815
+ 1129SOL    HW1 4959   7.866   1.438   7.693 -0.0426  0.5659 -0.0732
+ 1129SOL    HW2 4960   7.990   1.434   7.779 -0.8872  2.9389  1.3222
+ 1130SOL     OW 4961   1.363   3.472   0.059 -0.3269 -0.2228  0.7141
+ 1130SOL    HW1 4962   1.432   3.535   0.039  0.7131 -1.6565 -0.3082
+ 1130SOL    HW2 4963   1.390   3.433   0.142 -0.4535 -0.0317  0.8450
+ 1131SOL     OW 4964   1.707   1.110   7.759  0.1608  0.0588 -0.0592
+ 1131SOL    HW1 4965   1.782   1.051   7.768  0.0636  0.4419  4.2333
+ 1131SOL    HW2 4966   1.631   1.056   7.781 -0.4819  0.5848 -0.9411
+ 1132SOL     OW 4967   0.505   7.453   7.464  0.1334 -0.2760 -0.1445
+ 1132SOL    HW1 4968   0.551   7.369   7.468  3.5518  1.5360  0.4936
+ 1132SOL    HW2 4969   0.550   7.501   7.395  0.3205  2.1902  1.6458
+ 1133SOL     OW 4970   0.141   0.459   6.627  0.4440  0.0519  0.0929
+ 1133SOL    HW1 4971   0.193   0.451   6.706  0.5402  1.6243  0.2022
+ 1133SOL    HW2 4972   0.057   0.493   6.656  0.8236  1.6047 -0.5882
+ 1134SOL     OW 4973   2.617   0.831   1.324  0.3980  0.0306 -1.2434
+ 1134SOL    HW1 4974   2.606   0.789   1.410  1.8050  0.7526 -0.6965
+ 1134SOL    HW2 4975   2.535   0.879   1.310  0.3140  0.2238 -0.1262
+ 1135SOL     OW 4976   2.760   1.613   0.483 -0.1241 -0.0106 -0.4277
+ 1135SOL    HW1 4977   2.685   1.634   0.427 -0.0584  1.4007  0.0011
+ 1135SOL    HW2 4978   2.834   1.605   0.423 -0.1694  0.9141 -0.6048
+ 1136SOL     OW 4979   1.499   3.417   3.773  0.0445 -0.0470  0.7119
+ 1136SOL    HW1 4980   1.440   3.368   3.716 -0.1244 -0.2815  1.0902
+ 1136SOL    HW2 4981   1.533   3.487   3.717 -0.4623 -0.0109  0.4462
+ 1137SOL     OW 4982   0.138   2.213   7.837  0.1386  0.4887 -0.7365
+ 1137SOL    HW1 4983   0.216   2.263   7.862 -0.8243 -0.2796  4.3021
+ 1137SOL    HW2 4984   0.172   2.136   7.792  2.4357 -0.4502  2.4466
+ 1138SOL     OW 4985   0.830   0.763   7.131  0.2560  1.0541 -0.1125
+ 1138SOL    HW1 4986   0.771   0.696   7.097  0.4885  0.7650  0.0517
+ 1138SOL    HW2 4987   0.865   0.726   7.212  2.0370  0.4661 -1.1310
+ 1139SOL     OW 4988   1.149   2.258   6.177 -0.6332  0.1099 -0.1304
+ 1139SOL    HW1 4989   1.161   2.340   6.129  2.9139  0.5259  1.2859
+ 1139SOL    HW2 4990   1.206   2.196   6.132 -0.8331 -0.7207  0.7565
+ 1140SOL     OW 4991   1.266   0.072   6.936 -0.5284 -0.0057  0.6185
+ 1140SOL    HW1 4992   1.272   0.105   6.846  0.8105  1.5758  1.2723
+ 1140SOL    HW2 4993   1.240  -0.020   6.926 -0.9850  0.3165 -1.3563
+ 1141SOL     OW 4994   1.884   2.049   7.419  0.4055 -0.4469  1.1191
+ 1141SOL    HW1 4995   1.946   2.121   7.405 -0.6805  0.2493 -0.2466
+ 1141SOL    HW2 4996   1.809   2.090   7.463 -0.5964 -0.5272 -0.4694
+ 1142SOL     OW 4997   7.888   0.810   5.348 -0.2885  0.0860 -0.6475
+ 1142SOL    HW1 4998   7.923   0.721   5.345 -0.3092  0.0089  0.7505
+ 1142SOL    HW2 4999   7.850   0.825   5.262 -0.6330 -1.4066 -0.7623
+ 1143SOL     OW 5000   0.494   2.295   7.785 -0.4427  0.6678  0.3415
+ 1143SOL    HW1 5001   0.466   2.313   7.874  0.4526 -0.1924  0.8117
+ 1143SOL    HW2 5002   0.585   2.324   7.782 -1.0620  2.5575 -0.8889
+ 1144SOL     OW 5003   1.636   1.378   7.669 -0.2131  0.3031 -0.6028
+ 1144SOL    HW1 5004   1.564   1.383   7.732  0.9390  1.3507  0.6636
+ 1144SOL    HW2 5005   1.683   1.298   7.693 -0.7625 -0.2020 -1.2146
+ 1145SOL     OW 5006   2.682   0.480   6.765  0.1867 -0.2978 -0.1407
+ 1145SOL    HW1 5007   2.682   0.420   6.840 -0.1936  0.2402  0.2882
+ 1145SOL    HW2 5008   2.730   0.557   6.795 -1.9964  0.9194  0.3575
+ 1146SOL     OW 5009   0.760   2.016   6.468 -0.7118  0.4403  0.3240
+ 1146SOL    HW1 5010   0.782   2.102   6.432 -0.1825  0.5400  0.8826
+ 1146SOL    HW2 5011   0.735   2.033   6.558 -1.2672  0.0890  0.2384
+ 1147SOL     OW 5012   0.982   5.925   0.076 -0.1391 -0.0739  0.2384
+ 1147SOL    HW1 5013   0.900   5.910   0.030  0.4360  2.0995 -1.5762
+ 1147SOL    HW2 5014   0.964   6.000   0.134  0.2921 -0.2248  0.5761
+ 1148SOL     OW 5015   0.680   0.765   7.922  0.0825  0.2559 -0.0396
+ 1148SOL    HW1 5016   0.644   0.713   7.850 -0.9899  0.4753  0.3217
+ 1148SOL    HW2 5017   0.691   0.853   7.884 -0.3436  0.3347  0.0090
+ 1149SOL     OW 5018   2.246   2.568   7.042 -0.0132 -0.1317  0.0172
+ 1149SOL    HW1 5019   2.277   2.610   6.962  1.9718 -0.6097  0.5115
+ 1149SOL    HW2 5020   2.232   2.640   7.104 -1.6680  0.2485 -0.7827
+ 1150SOL     OW 5021   1.294   7.097   0.466 -0.2574 -0.2860  0.3741
+ 1150SOL    HW1 5022   1.372   7.140   0.433 -0.6347 -0.2879 -0.5271
+ 1150SOL    HW2 5023   1.320   7.006   0.478  0.0691 -0.1490  0.7114
+ 1151SOL     OW 5024   1.900   1.950   4.949 -0.4478 -0.0173 -0.3226
+ 1151SOL    HW1 5025   1.943   1.953   5.034  1.2031 -0.1778 -1.1242
+ 1151SOL    HW2 5026   1.966   1.983   4.888 -1.6141  0.1029 -1.5295
+ 1152SOL     OW 5027   0.948   1.839   7.285  0.4902 -0.4835  0.1752
+ 1152SOL    HW1 5028   0.861   1.802   7.299  0.5001 -0.6161 -0.1147
+ 1152SOL    HW2 5029   0.948   1.867   7.194  1.1182 -1.4757 -0.1376
+ 1153SOL     OW 5030   0.492   6.921   7.503  0.3005  0.4864 -0.3092
+ 1153SOL    HW1 5031   0.523   6.831   7.493 -1.4767 -0.1796  0.0013
+ 1153SOL    HW2 5032   0.568   6.969   7.534  1.0495 -1.0900  0.3567
+ 1154SOL     OW 5033   1.238   0.154   6.685 -0.1638  0.3377  0.4208
+ 1154SOL    HW1 5034   1.148   0.185   6.689 -0.7922 -1.1515 -1.4023
+ 1154SOL    HW2 5035   1.286   0.225   6.641 -0.5038  1.0023  1.1244
+ 1155SOL     OW 5036   2.621   3.382   6.056 -0.5782  0.0244 -0.3036
+ 1155SOL    HW1 5037   2.595   3.376   5.965 -1.2563 -0.7192 -0.0734
+ 1155SOL    HW2 5038   2.570   3.313   6.100  0.6186 -0.4107  0.4239
+ 1156SOL     OW 5039   0.982   2.030   5.202 -0.2985  0.0382 -0.0572
+ 1156SOL    HW1 5040   1.033   1.967   5.253 -1.2548 -1.2154 -0.6166
+ 1156SOL    HW2 5041   0.959   1.983   5.121  0.8718  1.8702 -1.4836
+ 1157SOL     OW 5042   0.122   2.708   4.683 -0.7316  0.2925 -0.0902
+ 1157SOL    HW1 5043   0.052   2.772   4.687 -0.2408  0.7842  0.8237
+ 1157SOL    HW2 5044   0.120   2.664   4.768 -0.3902 -0.1690 -0.3175
+ 1158SOL     OW 5045   0.996   1.861   0.040  0.0252 -0.2488  1.3365
+ 1158SOL    HW1 5046   1.000   1.767   0.056  0.4335 -0.5378 -0.3480
+ 1158SOL    HW2 5047   0.934   1.871  -0.033 -1.4217  0.9542  2.7012
+ 1159SOL     OW 5048   2.989   1.194   0.075 -0.2243 -0.0711  0.5275
+ 1159SOL    HW1 5049   2.895   1.177   0.075 -0.5967  1.9244  1.0522
+ 1159SOL    HW2 5050   3.008   1.229   0.161  0.7826  0.6861  0.0124
+ 1160SOL     OW 5051   0.588   0.997   7.601  0.4876  0.1863  0.0652
+ 1160SOL    HW1 5052   0.626   0.998   7.689  0.5639  1.7670  0.0271
+ 1160SOL    HW2 5053   0.658   1.030   7.544  0.0011  0.4083 -0.4056
+ 1161SOL     OW 5054   1.299   2.175   2.647  0.1062 -0.2381 -0.6179
+ 1161SOL    HW1 5055   1.206   2.168   2.627  0.2280  0.1112 -1.2985
+ 1161SOL    HW2 5056   1.341   2.116   2.585  0.2503 -1.2484  0.4170
+ 1162SOL     OW 5057   1.251   1.082   0.797 -0.1996  0.1360  0.0321
+ 1162SOL    HW1 5058   1.192   1.008   0.810  1.6180 -1.4093 -0.3009
+ 1162SOL    HW2 5059   1.334   1.054   0.835  0.2416  2.4343  0.8734
+ 1163SOL     OW 5060   2.692   3.695   1.106  0.9181  0.2114  0.4659
+ 1163SOL    HW1 5061   2.618   3.656   1.154 -1.3489  1.3107 -2.0243
+ 1163SOL    HW2 5062   2.713   3.630   1.039 -0.9196  1.8903 -1.8064
+ 1164SOL     OW 5063   1.331   2.165   7.557  0.3507 -0.2076  0.2185
+ 1164SOL    HW1 5064   1.388   2.097   7.591  2.7242  1.6942  0.1452
+ 1164SOL    HW2 5065   1.347   2.241   7.613 -0.3700  1.0570 -1.2457
+ 1165SOL     OW 5066   0.404   7.897   0.484  0.5151  0.3053 -0.0641
+ 1165SOL    HW1 5067   0.453   7.815   0.481  0.1655  0.0126  1.4394
+ 1165SOL    HW2 5068   0.455   7.953   0.543 -1.7988 -0.6443  3.0212
+ 1166SOL     OW 5069   3.285   0.498   0.567  0.2489 -0.6007 -0.4605
+ 1166SOL    HW1 5070   3.291   0.471   0.475 -1.1953  2.2960 -1.4776
+ 1166SOL    HW2 5071   3.363   0.551   0.582  0.1656 -0.5506 -0.1984
+ 1167SOL     OW 5072   0.753   7.353   0.042  0.0061  0.3056  0.6533
+ 1167SOL    HW1 5073   0.823   7.396  -0.008 -0.2023 -0.1808 -0.0646
+ 1167SOL    HW2 5074   0.791   7.338   0.128  0.3359  1.2564  0.6869
+ 1168SOL     OW 5075   0.517   0.660   0.120  0.2848  1.0451  0.1458
+ 1168SOL    HW1 5076   0.429   0.687   0.092 -0.0012 -0.9094 -0.9209
+ 1168SOL    HW2 5077   0.576   0.702   0.057  0.2218  3.2166  1.4839
+ 1169SOL     OW 5078   1.329   0.634   6.492  0.1325 -0.5791  0.5940
+ 1169SOL    HW1 5079   1.235   0.641   6.481  0.2445  0.0750 -0.0325
+ 1169SOL    HW2 5080   1.344   0.655   6.584 -0.4108 -1.5865  0.9145
+ 1170SOL     OW 5081   0.971   2.758   0.119 -0.6654  0.1405  0.9457
+ 1170SOL    HW1 5082   1.006   2.762   0.208  1.6275  4.1691  0.0230
+ 1170SOL    HW2 5083   0.897   2.818   0.121 -0.6601  0.1671  0.2008
+ 1171SOL     OW 5084   2.527   0.306   5.552 -0.5025  0.1120 -0.4030
+ 1171SOL    HW1 5085   2.499   0.338   5.466  1.5407 -0.8089 -1.4652
+ 1171SOL    HW2 5086   2.555   0.384   5.599 -2.5123  0.7372 -0.2183
+ 1172SOL     OW 5087   0.980   2.113   0.780 -0.1027 -0.0866 -0.1313
+ 1172SOL    HW1 5088   0.910   2.171   0.750 -0.2608  0.1243  0.6104
+ 1172SOL    HW2 5089   0.989   2.047   0.712  1.7367  2.1830 -2.1883
+ 1173SOL     OW 5090   3.986   0.358   7.018 -0.4900  0.3591  0.2583
+ 1173SOL    HW1 5091   3.987   0.445   7.058  0.2796  0.5472 -0.1715
+ 1173SOL    HW2 5092   4.056   0.310   7.063 -0.2479  0.2778 -0.2048
+ 1174SOL     OW 5093   0.555   2.030   7.885  0.2229 -0.2001 -0.0030
+ 1174SOL    HW1 5094   0.526   2.109   7.841 -1.4035 -1.0269 -0.4524
+ 1174SOL    HW2 5095   0.509   2.030   7.969  1.3677  0.0866  0.6320
+ 1175SOL     OW 5096   0.708   2.066   0.956  0.3145 -0.3478 -1.2491
+ 1175SOL    HW1 5097   0.695   1.972   0.962 -0.0971 -0.1236  2.2045
+ 1175SOL    HW2 5098   0.801   2.079   0.976  0.4272 -0.0239 -1.9590
+ 1176SOL     OW 5099   1.133   2.873   1.823 -0.1487  0.6220  0.1755
+ 1176SOL    HW1 5100   1.168   2.871   1.734 -0.5930  0.7731 -0.0067
+ 1176SOL    HW2 5101   1.169   2.953   1.862 -1.2038  1.3943 -0.3946
+ 1177SOL     OW 5102   0.417   7.849   1.109  0.7930  0.5563 -0.2899
+ 1177SOL    HW1 5103   0.388   7.918   1.050  0.7030  2.1157  1.5291
+ 1177SOL    HW2 5104   0.379   7.769   1.073 -3.8882  2.1938  0.6915
+ 1178SOL     OW 5105   1.490   1.128   0.203 -0.2069  0.1345 -0.0550
+ 1178SOL    HW1 5106   1.550   1.058   0.180 -1.8340 -0.9797 -1.0058
+ 1178SOL    HW2 5107   1.508   1.146   0.296  0.6701 -1.0769  0.0164
+ 1179SOL     OW 5108   1.509   1.208   0.492  0.3698 -0.2577 -0.3143
+ 1179SOL    HW1 5109   1.420   1.240   0.477 -0.6043 -2.5048  0.4439
+ 1179SOL    HW2 5110   1.549   1.275   0.547 -0.7283  0.9364 -0.9333
+ 1180SOL     OW 5111   7.083   0.263   0.055 -0.1999  0.3484 -0.5748
+ 1180SOL    HW1 5112   7.100   0.200  -0.015 -0.1532 -0.9540  0.6024
+ 1180SOL    HW2 5113   7.165   0.267   0.104 -0.4251  0.8129 -0.2406
+ 1181SOL     OW 5114   0.863   0.061   7.931  0.0606  0.0149 -0.0716
+ 1181SOL    HW1 5115   0.906   0.138   7.894 -1.7423  0.3059 -1.6091
+ 1181SOL    HW2 5116   0.896   0.057   8.021  1.5969  1.4897 -0.5315
+ 1182SOL     OW 5117   6.115   1.927   0.375  0.3826 -0.1215 -0.2255
+ 1182SOL    HW1 5118   6.197   1.975   0.366  0.3114 -0.0476 -0.5050
+ 1182SOL    HW2 5119   6.121   1.857   0.310  0.5533 -0.5852  0.2914
+ 1183SOL     OW 5120   7.806   0.874   7.852  0.4049 -0.0574 -0.4094
+ 1183SOL    HW1 5121   7.819   0.803   7.790  1.6409 -0.0619 -0.1671
+ 1183SOL    HW2 5122   7.881   0.932   7.837  1.3163 -0.6254  1.8305
+ 1184SOL     OW 5123   0.807   2.931   1.253  0.6316 -0.0003  0.1511
+ 1184SOL    HW1 5124   0.790   2.994   1.323 -0.6211 -1.1324  0.8808
+ 1184SOL    HW2 5125   0.838   2.852   1.299 -1.3778 -1.1716 -0.4519
+ 1185SOL     OW 5126   3.585   7.383   6.131 -0.2558 -0.0471 -0.3685
+ 1185SOL    HW1 5127   3.648   7.340   6.074 -0.9651 -0.7940 -0.6169
+ 1185SOL    HW2 5128   3.603   7.476   6.123  0.6778 -0.2424 -0.5806
+ 1186SOL     OW 5129   2.137   2.381   0.658 -0.3794  0.2529 -0.5602
+ 1186SOL    HW1 5130   2.158   2.296   0.698 -2.1748 -1.5222 -3.2081
+ 1186SOL    HW2 5131   2.054   2.407   0.698 -1.0620 -0.4532 -1.4944
+ 1187SOL     OW 5132   0.580   1.105   1.318 -0.1225  0.0101  0.2229
+ 1187SOL    HW1 5133   0.675   1.109   1.326  0.1166  0.1996 -2.4747
+ 1187SOL    HW2 5134   0.560   1.158   1.241 -2.2384 -1.7244 -0.4709
+ 1188SOL     OW 5135   1.613   2.205   7.173  0.2966 -0.2217 -0.0591
+ 1188SOL    HW1 5136   1.665   2.268   7.224 -0.6030  1.4090 -1.0918
+ 1188SOL    HW2 5137   1.522   2.225   7.197  0.0005 -1.0973 -0.4435
+ 1189SOL     OW 5138   0.879   0.031   0.755  0.1531 -0.1274 -0.2352
+ 1189SOL    HW1 5139   0.808   0.040   0.819  0.3776  0.8275 -0.1108
+ 1189SOL    HW2 5140   0.914  -0.057   0.769  0.8618  0.4340  1.6579
+ 1190SOL     OW 5141   0.976   7.361   7.828 -0.4538  0.2048 -0.4422
+ 1190SOL    HW1 5142   1.031   7.418   7.773 -1.6615  1.2954 -0.5261
+ 1190SOL    HW2 5143   1.018   7.363   7.914  0.2259  0.2076 -0.7695
+ 1191SOL     OW 5144   2.062   1.157   7.208  0.5449 -0.0731 -0.0366
+ 1191SOL    HW1 5145   1.983   1.119   7.169  2.0393 -0.3171 -2.9526
+ 1191SOL    HW2 5146   2.094   1.088   7.267  0.0437 -1.0508 -0.8784
+ 1192SOL     OW 5147   2.505   0.721   6.866  0.4397 -0.0547 -0.0579
+ 1192SOL    HW1 5148   2.469   0.649   6.816  0.0636 -1.1276  1.7086
+ 1192SOL    HW2 5149   2.581   0.750   6.816 -1.3759  0.6025 -2.5444
+ 1193SOL     OW 5150   7.077   0.337   0.414  0.1650 -0.4555  0.2930
+ 1193SOL    HW1 5151   7.136   0.279   0.366 -1.1324 -0.4656 -1.3082
+ 1193SOL    HW2 5152   7.024   0.277   0.467 -0.7368 -0.6932 -0.8717
+ 1194SOL     OW 5153   2.487   1.952   7.420  0.0367 -0.2978  0.1390
+ 1194SOL    HW1 5154   2.525   2.031   7.381 -0.7931 -0.6322 -1.3948
+ 1194SOL    HW2 5155   2.502   1.961   7.514  0.7119  1.2711 -0.1162
+ 1195SOL     OW 5156   0.796   7.105   6.983 -0.0635  0.2185 -0.3115
+ 1195SOL    HW1 5157   0.833   7.018   6.997  2.6809  1.4788  0.5985
+ 1195SOL    HW2 5158   0.734   7.117   7.055 -0.1016 -0.7640 -0.1703
+ 1196SOL     OW 5159   2.203   1.901   2.017 -0.2530 -0.2709 -0.1296
+ 1196SOL    HW1 5160   2.206   1.805   2.021 -0.3266 -0.2660  0.0485
+ 1196SOL    HW2 5161   2.152   1.926   2.095  1.8218  0.0322  1.1566
+ 1197SOL     OW 5162   2.390   7.244   5.965  0.0861  0.3515 -0.2969
+ 1197SOL    HW1 5163   2.422   7.154   5.974  0.0781  0.5624  2.0376
+ 1197SOL    HW2 5164   2.462   7.291   5.923  0.3083 -0.5970 -1.0126
+ 1198SOL     OW 5165   1.236   7.937   2.081 -0.5641 -0.4877  0.2351
+ 1198SOL    HW1 5166   1.242   7.847   2.048 -0.9336  0.1138 -1.5278
+ 1198SOL    HW2 5167   1.163   7.935   2.143 -1.0972 -1.2134 -0.4116
+ 1199SOL     OW 5168   1.778   2.329   6.960 -0.2453  0.4675 -0.5149
+ 1199SOL    HW1 5169   1.791   2.416   6.996  0.0922 -0.1657  0.9667
+ 1199SOL    HW2 5170   1.751   2.276   7.036 -1.3026 -0.5111 -1.5505
+ 1200SOL     OW 5171   0.789   1.457   0.774 -0.4079 -0.0714 -0.6884
+ 1200SOL    HW1 5172   0.727   1.484   0.842  0.4065 -1.3029  0.5754
+ 1200SOL    HW2 5173   0.745   1.478   0.692 -1.2846  1.7329  0.2088
+ 1201SOL     OW 5174   0.336   1.424   6.537 -0.2212 -0.3289 -0.7173
+ 1201SOL    HW1 5175   0.295   1.371   6.469 -0.6520  1.1103 -1.6058
+ 1201SOL    HW2 5176   0.428   1.399   6.535 -0.7790 -2.5555  0.3167
+ 1202SOL     OW 5177   0.573   1.258   1.075 -0.2466 -0.4006  0.3056
+ 1202SOL    HW1 5178   0.645   1.213   1.031 -0.2124  0.0099 -0.0617
+ 1202SOL    HW2 5179   0.558   1.336   1.022 -0.1904  0.1087  1.0261
+ 1203SOL     OW 5180   2.296   6.796   7.930  0.1681  0.0813 -0.1395
+ 1203SOL    HW1 5181   2.307   6.855   7.855 -0.0964 -0.4813 -0.6168
+ 1203SOL    HW2 5182   2.283   6.710   7.892 -0.5858 -0.1142  0.5462
+ 1204SOL     OW 5183   6.504   1.963   7.224  0.6445  0.1987 -0.7275
+ 1204SOL    HW1 5184   6.528   2.023   7.153 -0.9130 -0.0188 -1.4463
+ 1204SOL    HW2 5185   6.577   1.970   7.287  0.7358  2.4336 -1.0463
+ 1205SOL     OW 5186   0.819   0.983   7.797  0.1798  0.6956 -0.3601
+ 1205SOL    HW1 5187   0.834   1.070   7.759 -0.8761  1.1683  0.2816
+ 1205SOL    HW2 5188   0.848   0.992   7.888 -1.2580  0.7921  0.0959
+ 1206SOL     OW 5189   1.189   0.922   7.618 -0.2163 -0.3239 -0.5157
+ 1206SOL    HW1 5190   1.095   0.942   7.613 -0.3916 -1.1312 -0.6743
+ 1206SOL    HW2 5191   1.198   0.874   7.700  0.0165 -0.4437 -0.6116
+ 1207SOL     OW 5192   7.543   0.989   7.583 -0.2929  0.4476  0.7560
+ 1207SOL    HW1 5193   7.502   0.994   7.669  0.4808 -0.7930  1.2032
+ 1207SOL    HW2 5194   7.604   0.915   7.589 -2.2722 -1.4828 -1.6993
+ 1208SOL     OW 5195   6.680   1.299   1.870 -0.0255 -1.0703 -0.0152
+ 1208SOL    HW1 5196   6.641   1.319   1.785 -1.1495 -0.8181  0.5581
+ 1208SOL    HW2 5197   6.723   1.380   1.896 -2.2082 -0.2255  1.0203
+ 1209SOL     OW 5198   0.183   0.773   6.764 -0.1676 -0.6225  0.3151
+ 1209SOL    HW1 5199   0.179   0.863   6.795 -0.5935 -0.8831  1.0275
+ 1209SOL    HW2 5200   0.221   0.724   6.837 -0.1586 -1.0608  0.0228
+ 1210SOL     OW 5201   6.438   0.185   1.698 -0.1608  0.1915  0.0355
+ 1210SOL    HW1 5202   6.344   0.181   1.678 -0.6217  2.0277  1.7387
+ 1210SOL    HW2 5203   6.452   0.113   1.759 -0.0574 -1.2549 -1.6391
+ 1211SOL     OW 5204   7.790   6.885   7.978 -0.1897 -0.1992  0.0344
+ 1211SOL    HW1 5205   7.763   6.950   8.044  0.4485 -1.3346  1.4358
+ 1211SOL    HW2 5206   7.726   6.815   7.987  0.6115 -0.9042  0.2980
+ 1212SOL     OW 5207   0.758   1.782   0.702 -0.2747 -0.0494  0.0268
+ 1212SOL    HW1 5208   0.685   1.810   0.758 -1.2031 -2.4717  0.0568
+ 1212SOL    HW2 5209   0.753   1.840   0.626 -2.6633 -0.6405 -0.2959
+ 1213SOL     OW 5210   3.546   1.062   7.679  0.1973 -0.5857 -0.0998
+ 1213SOL    HW1 5211   3.466   1.074   7.628 -0.1918 -0.6920  0.4854
+ 1213SOL    HW2 5212   3.538   0.975   7.717  1.1247 -1.0647 -0.9665
+ 1214SOL     OW 5213   1.001   3.180   0.478  0.6803  0.2339 -0.4308
+ 1214SOL    HW1 5214   1.067   3.250   0.474  0.8953  0.0696  0.1619
+ 1214SOL    HW2 5215   0.958   3.194   0.562 -0.6469  0.8792 -1.2063
+ 1215SOL     OW 5216   1.220   0.785   0.563 -0.3594  0.1991 -0.3328
+ 1215SOL    HW1 5217   1.186   0.873   0.549  0.7636  0.5306 -1.0249
+ 1215SOL    HW2 5218   1.315   0.795   0.557 -0.2473 -1.1383 -0.8409
+ 1216SOL     OW 5219   1.726   1.204   7.301 -0.5172  0.5238 -0.1906
+ 1216SOL    HW1 5220   1.671   1.225   7.226 -1.7083  0.8825  0.7615
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+ 1217SOL     OW 5222   6.339   1.033   2.563  0.6794 -0.0632 -0.1258
+ 1217SOL    HW1 5223   6.261   1.043   2.507  1.5098 -1.2175 -1.5269
+ 1217SOL    HW2 5224   6.394   1.107   2.540 -0.1211  0.9371  1.1017
+ 1218SOL     OW 5225   1.973   1.108   7.514 -0.0041  0.6693  0.5560
+ 1218SOL    HW1 5226   1.960   1.014   7.511  1.4743  0.4874 -0.4618
+ 1218SOL    HW2 5227   1.910   1.143   7.451  2.8147 -0.0586 -2.8068
+ 1219SOL     OW 5228   7.392   1.291   1.314 -0.2604  0.0579  0.2127
+ 1219SOL    HW1 5229   7.431   1.327   1.234 -2.5273 -1.3012 -1.5688
+ 1219SOL    HW2 5230   7.419   1.199   1.314 -0.3942  0.0182  0.9375
+ 1220SOL     OW 5231   7.617   0.911   1.064  0.2576  0.3716 -0.4910
+ 1220SOL    HW1 5232   7.596   0.884   0.975 -0.6395  1.4492 -0.6254
+ 1220SOL    HW2 5233   7.669   0.990   1.053  0.5272  0.2506 -0.0673
+ 1221SOL     OW 5234   0.647   2.989   1.033 -0.4285  0.9834  0.8320
+ 1221SOL    HW1 5235   0.603   2.907   1.011  1.7457  0.0612 -0.1147
+ 1221SOL    HW2 5236   0.708   2.966   1.103  0.1928  1.8003  0.5654
+ 1222SOL     OW 5237   7.124   2.531   2.493  0.2463 -0.2086  0.2690
+ 1222SOL    HW1 5238   7.075   2.612   2.483 -0.5193 -0.7420 -0.4153
+ 1222SOL    HW2 5239   7.179   2.545   2.570 -0.6153  0.5871  0.7503
+ 1223SOL     OW 5240   1.849   3.026   1.666 -0.5266 -0.5942  0.6449
+ 1223SOL    HW1 5241   1.783   3.046   1.733  0.5084  1.2908  1.1523
+ 1223SOL    HW2 5242   1.927   3.001   1.716 -0.0982 -0.3087  0.1230
+ 1224SOL     OW 5243   1.639   3.482   6.772 -0.2371 -0.1682 -0.0976
+ 1224SOL    HW1 5244   1.577   3.533   6.824  1.4259  2.0601 -0.2335
+ 1224SOL    HW2 5245   1.586   3.440   6.705 -2.2398 -2.0405  2.5716
+ 1225SOL     OW 5246   1.065   3.946   1.022  0.2255 -0.3700  0.1825
+ 1225SOL    HW1 5247   1.090   3.915   1.109  0.0384 -0.0538  0.3538
+ 1225SOL    HW2 5248   1.107   4.032   1.015  1.6524 -1.1346 -0.7312
+ 1226SOL     OW 5249   0.239   2.961   0.821 -0.2867 -0.1763 -0.1041
+ 1226SOL    HW1 5250   0.259   2.964   0.727 -1.9536 -1.1271 -0.5128
+ 1226SOL    HW2 5251   0.225   2.868   0.840  0.8206 -0.0744  1.2613
+ 1227SOL     OW 5252   2.290   3.406   0.986 -0.4758  0.1669  0.3943
+ 1227SOL    HW1 5253   2.340   3.416   0.905  3.0272 -0.7832  2.3571
+ 1227SOL    HW2 5254   2.240   3.326   0.973  0.8916 -0.5710 -0.4280
+ 1228SOL     OW 5255   1.814   2.962   0.675  0.2858 -0.4611  0.7112
+ 1228SOL    HW1 5256   1.724   2.960   0.709  0.3074 -0.9764  0.7426
+ 1228SOL    HW2 5257   1.855   3.036   0.719 -0.6590  0.8840 -0.6508
+ 1229SOL     OW 5258   3.068   2.102   2.982  0.3565  0.0120  0.2605
+ 1229SOL    HW1 5259   3.012   2.171   2.946  0.1974 -0.2446  0.0180
+ 1229SOL    HW2 5260   3.153   2.116   2.939  0.8171  1.1085  1.4701
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+ 1230SOL    HW1 5262   2.480   1.576   1.369 -0.0196 -0.4631  0.7271
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+ 1231SOL     OW 5264   0.547   1.140   2.415  0.1124 -0.0822  0.7623
+ 1231SOL    HW1 5265   0.569   1.196   2.490  0.0493  1.1690 -0.1543
+ 1231SOL    HW2 5266   0.452   1.138   2.414  0.0600  1.6978 -0.5861
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+ 1232SOL    HW1 5268   0.996   2.884   1.536  1.0760 -1.3733  0.5689
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+ 1234SOL    HW1 5274   1.672   2.168   7.930  0.7404 -0.7493 -2.0363
+ 1234SOL    HW2 5275   1.756   2.293   7.911 -0.1084  0.2426  0.5877
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+ 1236SOL    HW1 5280   0.161   2.438   1.250  1.6454  1.0783  0.5076
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+ 1238SOL    HW1 5286   1.364   3.511   6.207 -0.0028 -1.2594 -2.9841
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+ 1239SOL    HW1 5289   7.687   3.757   0.343 -0.6306  0.3138 -1.3535
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+ 1240SOL    HW1 5292   0.161   1.255   0.852 -0.9339  1.0898  1.3174
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+ 1241SOL    HW1 5295   1.645   0.842   1.165 -2.0836  0.5183 -0.3206
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+ 1242SOL     OW 5297   6.167   2.212   7.617 -0.3103  0.5024  0.6578
+ 1242SOL    HW1 5298   6.199   2.228   7.706  0.4327 -1.6857  0.8272
+ 1242SOL    HW2 5299   6.241   2.236   7.560 -0.6285  1.4808  0.6548
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+ 1244SOL    HW1 5304   6.523   3.078   7.809 -1.3477 -1.5815 -1.6410
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+ 1245SOL    HW1 5307   1.369   1.754   1.761  0.3402  1.4165 -2.8221
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+ 1276SOL    HW2 5401   1.650   3.454   7.756  1.3580 -0.6999  1.4132
+ 1277SOL     OW 5402   1.178   4.914   0.197  0.1101 -0.0724  0.2891
+ 1277SOL    HW1 5403   1.272   4.933   0.194 -0.2609  1.8638  0.5130
+ 1277SOL    HW2 5404   1.141   4.966   0.125 -0.8260 -0.6113  0.3812
+ 1278SOL     OW 5405   1.798   3.160   0.286 -0.2724 -0.1130 -0.0709
+ 1278SOL    HW1 5406   1.778   3.248   0.315  0.1933 -0.3104  0.8808
+ 1278SOL    HW2 5407   1.784   3.105   0.363  0.9255 -0.6548 -0.2221
+ 1279SOL     OW 5408   6.859   2.267   2.620 -0.2232 -0.1232  0.1422
+ 1279SOL    HW1 5409   6.796   2.337   2.608 -0.9900 -0.3943  2.3616
+ 1279SOL    HW2 5410   6.894   2.281   2.708 -0.1624 -2.3179  0.4997
+ 1280SOL     OW 5411   2.054   3.395   0.684  0.4947  0.1484 -0.4656
+ 1280SOL    HW1 5412   2.104   3.477   0.684  0.2684  0.2878 -0.6433
+ 1280SOL    HW2 5413   2.028   3.383   0.593  0.7516 -0.2580 -0.4854
+ 1281SOL     OW 5414   0.571   3.641   0.375 -0.0020  0.1590 -0.2311
+ 1281SOL    HW1 5415   0.525   3.570   0.421  0.6531  0.5443  1.0502
+ 1281SOL    HW2 5416   0.660   3.607   0.361 -0.4411 -0.2984 -2.0353
+ 1282SOL     OW 5417   0.978   3.114   7.484 -0.1347 -0.0069 -0.5740
+ 1282SOL    HW1 5418   0.896   3.066   7.487  0.1255 -0.4595 -0.6481
+ 1282SOL    HW2 5419   0.963   3.192   7.538  0.1101 -1.2313  1.3156
+ 1283SOL     OW 5420   0.504   4.573   2.190 -0.3041  0.1247 -0.0717
+ 1283SOL    HW1 5421   0.430   4.580   2.250  1.2403  2.6700  1.6156
+ 1283SOL    HW2 5422   0.514   4.661   2.153  1.9479 -0.1262 -0.1470
+ 1284SOL     OW 5423   0.054   4.836   1.429 -0.0639 -0.9133  0.5640
+ 1284SOL    HW1 5424   0.074   4.929   1.433 -0.6525 -0.8152  1.3774
+ 1284SOL    HW2 5425   0.083   4.809   1.342 -0.1282  0.0828  0.2281
+ 1285SOL     OW 5426   1.679   1.817   0.984 -0.3502  0.5445 -0.5833
+ 1285SOL    HW1 5427   1.595   1.846   1.019 -0.4326 -0.8108  0.4112
+ 1285SOL    HW2 5428   1.682   1.850   0.894 -1.8260  0.7996 -0.5374
+ 1286SOL     OW 5429   2.092   1.928   2.301  0.0379 -0.3587  0.2079
+ 1286SOL    HW1 5430   2.140   1.942   2.382  1.1042 -0.1607 -0.4591
+ 1286SOL    HW2 5431   2.020   1.870   2.326  1.9531 -2.5772  0.7553
+ 1287SOL     OW 5432   7.048   2.420   7.895 -0.3221  0.5494  0.2347
+ 1287SOL    HW1 5433   7.134   2.414   7.853 -0.6491  0.6088 -0.4396
+ 1287SOL    HW2 5434   7.001   2.343   7.863 -0.4157  0.3463  0.8523
+ 1288SOL     OW 5435   6.479   2.891   0.807 -0.2194  0.0470 -0.2891
+ 1288SOL    HW1 5436   6.512   2.961   0.752 -1.4361  2.4024  1.8684
+ 1288SOL    HW2 5437   6.385   2.889   0.790 -0.1987 -1.0003 -0.2890
+ 1289SOL     OW 5438   1.960   4.326   1.312  0.2511  0.2732  0.2731
+ 1289SOL    HW1 5439   2.029   4.281   1.360  0.9270  1.2095  0.2068
+ 1289SOL    HW2 5440   1.992   4.328   1.221  0.1815  0.7563  0.2536
+ 1290SOL     OW 5441   3.031   2.301   2.502 -0.2341  0.1511 -0.4885
+ 1290SOL    HW1 5442   2.940   2.329   2.508 -0.0861  0.5992 -0.2826
+ 1290SOL    HW2 5443   3.048   2.257   2.586 -0.2578  0.0768 -0.5223
+ 1291SOL     OW 5444   6.542   2.993   1.177  0.4093 -0.0680 -0.9110
+ 1291SOL    HW1 5445   6.609   3.006   1.244  0.5079 -0.6618 -0.8993
+ 1291SOL    HW2 5446   6.577   2.925   1.120  0.1961  0.2278 -1.3999
+ 1292SOL     OW 5447   1.097   2.857   0.367  0.3640 -0.4165 -0.3052
+ 1292SOL    HW1 5448   1.006   2.885   0.362  0.3198  0.2498  2.8751
+ 1292SOL    HW2 5449   1.097   2.788   0.433  1.8948 -1.7805 -1.6774
+ 1293SOL     OW 5450   0.170   0.537   0.000 -0.0266 -0.2113 -0.3853
+ 1293SOL    HW1 5451   0.078   0.541   0.027  0.0267  0.3435 -0.2957
+ 1293SOL    HW2 5452   0.201   0.627   0.006  0.6126 -0.4473 -0.1018
+ 1294SOL     OW 5453   1.371   1.236   4.980 -0.7925  0.0195 -0.3208
+ 1294SOL    HW1 5454   1.449   1.208   5.028 -1.4589 -0.2742  0.6021
+ 1294SOL    HW2 5455   1.364   1.174   4.907 -1.7732 -1.7611  1.2245
+ 1295SOL     OW 5456   7.183   3.249   0.373 -0.0955 -0.1726  0.3129
+ 1295SOL    HW1 5457   7.249   3.288   0.315  0.1360  0.5731  1.0752
+ 1295SOL    HW2 5458   7.102   3.292   0.348  0.1328  0.6886  1.0446
+ 1296SOL     OW 5459   0.146   1.899   1.255  0.1640 -0.4629  0.1658
+ 1296SOL    HW1 5460   0.075   1.882   1.317  0.9749  0.4899  1.3797
+ 1296SOL    HW2 5461   0.103   1.943   1.182 -0.4707  0.4428  1.0528
+ 1297SOL     OW 5462   0.351   2.827   7.829 -0.0412 -0.8480 -0.0872
+ 1297SOL    HW1 5463   0.335   2.743   7.873 -1.9530  0.7079  2.2674
+ 1297SOL    HW2 5464   0.343   2.893   7.898  2.1143  1.2619 -1.7676
+ 1298SOL     OW 5465   7.957   3.965   6.358 -0.3898  0.2240  0.2888
+ 1298SOL    HW1 5466   7.901   3.914   6.415 -0.5366 -0.0260 -0.0728
+ 1298SOL    HW2 5467   7.899   4.028   6.316 -0.7525 -1.1896 -1.4257
+ 1299SOL     OW 5468   0.581   3.590   1.105 -0.4349  0.3131  0.1771
+ 1299SOL    HW1 5469   0.509   3.651   1.091  0.7750  1.6236 -0.3976
+ 1299SOL    HW2 5470   0.626   3.624   1.183  0.1960  0.1137 -0.0969
+ 1300SOL     OW 5471   1.517   2.834   7.393  0.0263 -0.0815  0.4707
+ 1300SOL    HW1 5472   1.484   2.750   7.362  0.1145  1.5261 -4.4155
+ 1300SOL    HW2 5473   1.448   2.896   7.373  1.1754  1.5016  1.2762
+ 1301SOL     OW 5474   7.614   1.254   7.628 -0.0368 -0.5401 -0.1712
+ 1301SOL    HW1 5475   7.624   1.167   7.590  0.8699 -0.5760  0.1384
+ 1301SOL    HW2 5476   7.699   1.296   7.614 -0.2137  0.0096  0.3879
+ 1302SOL     OW 5477   0.947   1.602   2.366 -0.1007 -0.3401 -0.0625
+ 1302SOL    HW1 5478   0.986   1.678   2.322  0.5864 -0.4867  0.2882
+ 1302SOL    HW2 5479   1.016   1.537   2.367 -0.6265 -0.9059 -0.1731
+ 1303SOL     OW 5480   0.275   2.264   1.171  0.0813  0.1121 -0.1753
+ 1303SOL    HW1 5481   0.313   2.271   1.083 -2.1499  0.3321 -1.1658
+ 1303SOL    HW2 5482   0.280   2.171   1.193 -2.5545 -0.5419 -2.0699
+ 1304SOL     OW 5483   0.800   3.469   1.816 -0.3636 -0.1957 -0.2465
+ 1304SOL    HW1 5484   0.712   3.432   1.807 -0.0166 -0.9773 -0.4504
+ 1304SOL    HW2 5485   0.789   3.562   1.798 -0.5883 -0.8098 -3.5086
+ 1305SOL     OW 5486   1.438   2.826   0.508  0.1559  0.0140 -0.2099
+ 1305SOL    HW1 5487   1.374   2.787   0.449  0.0691 -1.5722  0.8802
+ 1305SOL    HW2 5488   1.514   2.846   0.453 -0.2992 -0.5084 -1.0278
+ 1306SOL     OW 5489   0.512   4.073   1.229  0.0155  0.4441  0.1104
+ 1306SOL    HW1 5490   0.473   4.035   1.308 -1.4829  1.5300 -0.0803
+ 1306SOL    HW2 5491   0.602   4.095   1.255 -0.6492  1.3695  1.7366
+ 1307SOL     OW 5492   4.280   2.518   7.133  0.0051  0.8467 -0.1955
+ 1307SOL    HW1 5493   4.261   2.429   7.104  1.5317  0.6985 -0.7837
+ 1307SOL    HW2 5494   4.204   2.570   7.105 -0.6190 -0.1473 -0.3626
+ 1308SOL     OW 5495   0.513   3.689   7.892 -0.4990 -0.2268 -0.0849
+ 1308SOL    HW1 5496   0.528   3.622   7.959  1.3894  0.2011 -0.0528
+ 1308SOL    HW2 5497   0.570   3.664   7.820 -0.0140  1.1664 -0.1966
+ 1309SOL     OW 5498   1.642   4.181   1.389 -0.1745 -0.6204  0.3299
+ 1309SOL    HW1 5499   1.708   4.119   1.421 -0.1020 -1.5817 -1.5677
+ 1309SOL    HW2 5500   1.673   4.267   1.416  2.2880 -0.9914 -1.1784
+ 1310SOL     OW 5501   1.608   3.250   0.006 -0.0151 -0.2747  0.4001
+ 1310SOL    HW1 5502   1.528   3.231   0.057  0.8102 -0.6480  1.5816
+ 1310SOL    HW2 5503   1.631   3.166  -0.034 -0.5625 -0.0216 -0.4633
+ 1311SOL     OW 5504   1.833   2.613   1.160  0.1441  0.1362 -0.2725
+ 1311SOL    HW1 5505   1.772   2.617   1.086 -0.8934  1.6636  0.6237
+ 1311SOL    HW2 5506   1.872   2.701   1.163  0.5736 -0.0842  0.6430
+ 1312SOL     OW 5507   0.663   2.241   2.429  0.6039 -0.0161 -0.0734
+ 1312SOL    HW1 5508   0.570   2.266   2.425  0.3033 -0.7907  1.8822
+ 1312SOL    HW2 5509   0.682   2.208   2.341 -0.6697  1.1903 -0.8311
+ 1313SOL     OW 5510   0.147   3.357   1.223 -0.1508 -0.2712 -0.0429
+ 1313SOL    HW1 5511   0.107   3.388   1.142 -1.0810 -0.6484  0.2534
+ 1313SOL    HW2 5512   0.235   3.330   1.198 -0.5236 -0.6528 -0.9911
+ 1314SOL     OW 5513   1.844   2.950   2.036 -0.5453  0.5934  0.6027
+ 1314SOL    HW1 5514   1.842   2.862   1.997  0.4359  1.2461 -0.9817
+ 1314SOL    HW2 5515   1.935   2.978   2.026 -0.7219  1.5466  1.6542
+ 1315SOL     OW 5516   1.407   3.078   1.108 -0.4375 -0.1911  0.0919
+ 1315SOL    HW1 5517   1.393   2.995   1.155 -1.2006 -1.5893 -2.5267
+ 1315SOL    HW2 5518   1.348   3.073   1.033  0.2923  2.3000 -0.6871
+ 1316SOL     OW 5519   2.764   3.969   1.208 -0.0862  0.4291  0.0311
+ 1316SOL    HW1 5520   2.840   3.945   1.262 -0.2643 -1.1164 -0.3681
+ 1316SOL    HW2 5521   2.724   3.885   1.185 -0.7486  1.1284 -1.4458
+ 1317SOL     OW 5522   2.462   1.355   3.543  0.5978 -0.0858 -0.3517
+ 1317SOL    HW1 5523   2.536   1.402   3.504  0.0692  3.2620  2.4265
+ 1317SOL    HW2 5524   2.384   1.401   3.509 -0.0324 -0.6861  0.2693
+ 1318SOL     OW 5525   1.041   3.787   2.660  0.1905 -0.0242  0.5569
+ 1318SOL    HW1 5526   0.953   3.777   2.623  0.8574  2.0163 -1.6764
+ 1318SOL    HW2 5527   1.065   3.699   2.689 -2.8992 -0.4833  1.9920
+ 1319SOL     OW 5528   7.305   2.258   1.439  0.6668  0.1359 -0.0315
+ 1319SOL    HW1 5529   7.318   2.331   1.378  1.6251 -1.6695 -2.0335
+ 1319SOL    HW2 5530   7.219   2.222   1.415  0.5541  0.0897  0.4288
+ 1320SOL     OW 5531   0.237   3.893   1.260  0.3296 -0.0792  0.3361
+ 1320SOL    HW1 5532   0.217   3.802   1.282  1.0161  0.0099  1.4200
+ 1320SOL    HW2 5533   0.293   3.922   1.332 -2.4707  2.1831  1.6782
+ 1321SOL     OW 5534   1.902   1.791   1.483 -0.0946 -0.6720 -0.0457
+ 1321SOL    HW1 5535   1.853   1.710   1.466 -2.3478  0.7148 -0.3647
+ 1321SOL    HW2 5536   1.904   1.836   1.398 -1.5006  0.9898  0.7746
+ 1322SOL     OW 5537   0.513   3.862   0.501  0.2452 -1.1483 -0.2109
+ 1322SOL    HW1 5538   0.545   3.861   0.591  0.3403  0.8379 -0.1872
+ 1322SOL    HW2 5539   0.552   3.785   0.460 -0.7191 -2.7124  1.7315
+ 1323SOL     OW 5540   1.892   2.908   7.397  0.0854 -0.3246 -0.3911
+ 1323SOL    HW1 5541   1.905   2.997   7.363 -0.7503 -0.5623 -1.3509
+ 1323SOL    HW2 5542   1.933   2.851   7.332  0.3854 -0.6552  0.0887
+ 1324SOL     OW 5543   7.838   2.977   0.224  0.4696 -0.2644 -0.4285
+ 1324SOL    HW1 5544   7.896   2.938   0.159  0.3734  2.5662 -2.3022
+ 1324SOL    HW2 5545   7.896   3.017   0.288  0.6228  1.7037 -1.7675
+ 1325SOL     OW 5546   0.969   4.284   1.466 -0.1143  0.4284 -0.0266
+ 1325SOL    HW1 5547   1.006   4.356   1.516  0.2057  0.6791 -0.6249
+ 1325SOL    HW2 5548   0.924   4.326   1.393  3.9770 -0.1305 -3.0201
+ 1326SOL     OW 5549   7.613   5.191   0.392  0.4380  0.2048 -0.6621
+ 1326SOL    HW1 5550   7.639   5.272   0.436 -2.1580 -0.1300  1.6355
+ 1326SOL    HW2 5551   7.547   5.218   0.328  0.3158  0.0308 -0.6085
+ 1327SOL     OW 5552   0.447   2.138   0.977 -0.2726 -0.6302 -0.4136
+ 1327SOL    HW1 5553   0.537   2.106   0.987 -0.4488 -1.0098  0.0037
+ 1327SOL    HW2 5554   0.393   2.060   0.991 -0.6237 -0.7291 -2.2771
+ 1328SOL     OW 5555   0.788   4.436   7.646  0.1353  0.5408 -0.1829
+ 1328SOL    HW1 5556   0.748   4.364   7.694  1.0264  0.4005  0.3489
+ 1328SOL    HW2 5557   0.714   4.480   7.603 -0.6727  0.6970  1.3460
+ 1329SOL     OW 5558   1.535   1.210   2.845  0.2500 -0.0558  0.0313
+ 1329SOL    HW1 5559   1.446   1.227   2.877  0.7225 -0.7593  1.8069
+ 1329SOL    HW2 5560   1.576   1.161   2.916  1.8344 -0.3696 -1.0889
+ 1330SOL     OW 5561   3.056   2.488   1.829  0.5205 -0.6070 -0.1583
+ 1330SOL    HW1 5562   3.064   2.504   1.923  0.0435 -1.8024  0.0956
+ 1330SOL    HW2 5563   3.069   2.574   1.789 -0.4614  0.1365  1.0669
+ 1331SOL     OW 5564   0.056   2.177   1.966 -0.0181  0.6590 -0.2639
+ 1331SOL    HW1 5565   0.091   2.264   1.985  2.2673 -0.0121 -1.3223
+ 1331SOL    HW2 5566   0.107   2.118   2.021 -0.5179 -0.1811 -0.6913
+ 1332SOL     OW 5567   0.119   1.310   1.888 -0.0108 -0.0480 -0.3435
+ 1332SOL    HW1 5568   0.135   1.338   1.978 -1.0842 -1.8098  0.4220
+ 1332SOL    HW2 5569   0.164   1.375   1.834  0.9671  0.8095  1.4684
+ 1333SOL     OW 5570   0.502   2.756   1.056 -0.4674 -0.0045  0.3665
+ 1333SOL    HW1 5571   0.419   2.762   1.104 -0.6623  0.0810  0.0182
+ 1333SOL    HW2 5572   0.478   2.720   0.970 -0.2290  0.6074  0.0425
+ 1334SOL     OW 5573   1.310   3.564   1.198 -0.0175 -0.1113  0.1662
+ 1334SOL    HW1 5574   1.374   3.554   1.268  0.8857  0.0271 -0.6255
+ 1334SOL    HW2 5575   1.355   3.617   1.132 -1.1441  0.4518 -0.1562
+ 1335SOL     OW 5576   1.811   3.681   0.915 -0.4230  0.0026 -0.4607
+ 1335SOL    HW1 5577   1.818   3.775   0.896  1.8783  0.1803  1.0966
+ 1335SOL    HW2 5578   1.893   3.659   0.959 -3.1883 -1.5147  4.3365
+ 1336SOL     OW 5579   5.837   1.527   1.727 -0.2717 -0.1379  0.2742
+ 1336SOL    HW1 5580   5.878   1.452   1.684 -1.4182 -1.4551  1.4338
+ 1336SOL    HW2 5581   5.905   1.595   1.728  0.8215 -1.2053 -0.6511
+ 1337SOL     OW 5582   0.542   5.086   0.242 -0.3480 -0.1544  0.1505
+ 1337SOL    HW1 5583   0.618   5.039   0.275 -0.9016  0.0709  1.7689
+ 1337SOL    HW2 5584   0.559   5.178   0.263 -0.8451 -0.0441  0.0860
+ 1338SOL     OW 5585   7.792   2.257   3.274  0.5052  0.5499  0.2200
+ 1338SOL    HW1 5586   7.748   2.314   3.337 -1.3664 -2.2458  1.5417
+ 1338SOL    HW2 5587   7.722   2.222   3.219  1.4980 -1.1188 -0.0319
+ 1339SOL     OW 5588   1.433   2.964   2.294 -0.0479  0.2595 -0.1668
+ 1339SOL    HW1 5589   1.487   2.903   2.345 -0.3331 -0.0665 -0.2533
+ 1339SOL    HW2 5590   1.350   2.918   2.282 -0.7770  1.2529  1.0009
+ 1340SOL     OW 5591   7.491   3.424   7.758 -0.5646  0.1898 -0.6262
+ 1340SOL    HW1 5592   7.487   3.519   7.757 -2.2284  0.1666  0.7800
+ 1340SOL    HW2 5593   7.399   3.397   7.766 -0.1787 -1.5457 -1.7723
+ 1341SOL     OW 5594   2.023   2.053   7.927 -0.8376  0.0441 -0.0632
+ 1341SOL    HW1 5595   2.046   2.017   7.842  0.8554  0.0565  0.3685
+ 1341SOL    HW2 5596   2.072   1.999   7.990 -0.1897  1.5294  0.7430
+ 1342SOL     OW 5597   0.199   1.456   2.140 -0.0981  0.1650  0.2284
+ 1342SOL    HW1 5598   0.281   1.491   2.104  0.0003  0.5181  0.7892
+ 1342SOL    HW2 5599   0.143   1.533   2.150 -0.9960 -0.2555 -1.4417
+ 1343SOL     OW 5600   7.299   4.117   2.331 -0.5627  0.3147 -0.3038
+ 1343SOL    HW1 5601   7.376   4.167   2.303 -0.5300  0.7699  0.5731
+ 1343SOL    HW2 5602   7.307   4.113   2.426 -0.1506 -2.0152 -0.4044
+ 1344SOL     OW 5603   1.655   1.344   2.353 -0.6009 -0.0459  0.9603
+ 1344SOL    HW1 5604   1.737   1.305   2.381  1.5078  2.1764 -1.7781
+ 1344SOL    HW2 5605   1.664   1.437   2.374 -0.4950  1.0129 -3.2528
+ 1345SOL     OW 5606   7.108   1.787   2.262  0.0436  0.2676  0.0325
+ 1345SOL    HW1 5607   7.164   1.865   2.263 -1.6239  1.5048  0.9729
+ 1345SOL    HW2 5608   7.152   1.725   2.321 -0.7926  2.1654  2.7676
+ 1346SOL     OW 5609   0.978   3.534   7.860 -0.3461  0.0336 -0.1611
+ 1346SOL    HW1 5610   1.028   3.553   7.939  1.2877 -1.4414 -0.8325
+ 1346SOL    HW2 5611   0.925   3.457   7.883 -1.5489  0.9614  0.2117
+ 1347SOL     OW 5612   0.753   2.689   5.852  0.0529 -0.6334 -0.2915
+ 1347SOL    HW1 5613   0.716   2.757   5.796 -0.3678 -0.4213  0.2395
+ 1347SOL    HW2 5614   0.845   2.713   5.862  0.3441 -1.1580 -1.6167
+ 1348SOL     OW 5615   0.890   3.677   0.418  0.0550 -0.0350  0.0676
+ 1348SOL    HW1 5616   0.903   3.652   0.510  1.0381 -0.2627 -0.1310
+ 1348SOL    HW2 5617   0.909   3.597   0.369  0.5207  0.3638 -0.4025
+ 1349SOL     OW 5618   1.390   1.957   6.752 -0.2927  0.0901  0.8857
+ 1349SOL    HW1 5619   1.340   1.997   6.824  1.1713  1.4387  1.1901
+ 1349SOL    HW2 5620   1.324   1.938   6.685 -1.4920  0.0307  2.0527
+ 1350SOL     OW 5621   7.752   1.792   1.968 -0.5343  0.4395  0.1775
+ 1350SOL    HW1 5622   7.687   1.754   2.026 -2.2329  1.4279 -1.0238
+ 1350SOL    HW2 5623   7.784   1.869   2.015 -0.9261  0.4883  0.3612
+ 1351SOL     OW 5624   1.011   2.254   0.236  0.1763 -0.1351  0.2866
+ 1351SOL    HW1 5625   0.940   2.291   0.289 -0.0369 -0.6405  0.3545
+ 1351SOL    HW2 5626   1.012   2.161   0.257  0.1009 -0.3416 -0.5870
+ 1352SOL     OW 5627   0.397   1.399   0.228  0.1840  0.3275 -0.7572
+ 1352SOL    HW1 5628   0.356   1.485   0.238 -3.4959 -1.5798  1.7115
+ 1352SOL    HW2 5629   0.465   1.398   0.295 -3.3174 -0.5382  2.9727
+ 1353SOL     OW 5630   0.201   2.249   0.329 -0.4275 -0.6660 -0.5124
+ 1353SOL    HW1 5631   0.222   2.209   0.414 -0.7350 -0.9843 -0.5870
+ 1353SOL    HW2 5632   0.280   2.297   0.305 -0.8930  0.8128  0.7586
+ 1354SOL     OW 5633   0.622   3.514   0.061  0.0736  0.5122 -0.0947
+ 1354SOL    HW1 5634   0.687   3.503   0.131 -0.6398  1.4574  0.7280
+ 1354SOL    HW2 5635   0.625   3.431   0.012  1.1291  0.1413  0.5861
+ 1355SOL     OW 5636   6.545   4.765   0.498  0.0924  0.2639  0.1837
+ 1355SOL    HW1 5637   6.549   4.669   0.497 -1.4076  0.1991 -0.5380
+ 1355SOL    HW2 5638   6.635   4.792   0.518  0.1658 -1.3167  2.1314
+ 1356SOL     OW 5639   0.996   2.172   2.534 -0.3786 -0.3884  0.2482
+ 1356SOL    HW1 5640   0.962   2.260   2.516 -0.4601 -0.7221 -1.3134
+ 1356SOL    HW2 5641   0.927   2.130   2.586 -1.5742 -0.4455 -1.3495
+ 1357SOL     OW 5642   1.680   3.397   0.385  0.2229 -0.0491 -0.0675
+ 1357SOL    HW1 5643   1.705   3.482   0.420 -1.4871  0.6592 -0.5458
+ 1357SOL    HW2 5644   1.642   3.350   0.459 -1.4768  0.6807 -0.4555
+ 1358SOL     OW 5645   0.771   3.790   1.182 -0.0698  0.4959  0.4348
+ 1358SOL    HW1 5646   0.858   3.760   1.153 -0.4818  0.0654 -0.3748
+ 1358SOL    HW2 5647   0.789   3.841   1.261  0.8825  0.0739  0.5036
+ 1359SOL     OW 5648   1.748   0.991   1.789  0.1906  0.3285  0.6707
+ 1359SOL    HW1 5649   1.782   1.025   1.707 -0.0046 -3.4985 -1.1354
+ 1359SOL    HW2 5650   1.807   0.919   1.812 -0.7224  0.2657  2.9799
+ 1360SOL     OW 5651   3.178   3.571   6.586  0.0850 -0.3879 -0.3431
+ 1360SOL    HW1 5652   3.210   3.481   6.592  1.2004  0.0200 -0.1338
+ 1360SOL    HW2 5653   3.221   3.617   6.658  1.7627  0.9939 -2.1938
+ 1361SOL     OW 5654   7.591   2.597   7.797  0.1374 -0.1329  0.5824
+ 1361SOL    HW1 5655   7.552   2.671   7.751  1.1811  0.3828  0.5252
+ 1361SOL    HW2 5656   7.637   2.548   7.730  0.2340 -0.3183  0.7825
+ 1362SOL     OW 5657   1.688   1.995   2.149 -0.1816  0.3091  0.0307
+ 1362SOL    HW1 5658   1.734   1.925   2.103 -1.1413  0.0267 -0.4945
+ 1362SOL    HW2 5659   1.599   1.994   2.114 -0.1299  1.9897 -0.2029
+ 1363SOL     OW 5660   0.008   0.490   1.724 -0.1125 -0.2101 -0.6993
+ 1363SOL    HW1 5661  -0.084   0.501   1.700  0.2247  3.2090 -0.6929
+ 1363SOL    HW2 5662   0.046   0.439   1.652 -1.8218 -0.9431 -1.0968
+ 1364SOL     OW 5663   0.734   2.070   2.114  0.1811 -0.4159 -0.7776
+ 1364SOL    HW1 5664   0.798   2.137   2.092 -0.5626  0.4143 -0.4645
+ 1364SOL    HW2 5665   0.661   2.085   2.054 -1.0083  0.5943  0.8795
+ 1365SOL     OW 5666   0.067   0.758   1.244  0.0751  0.1659 -0.0984
+ 1365SOL    HW1 5667  -0.004   0.779   1.182  0.3218 -0.4983 -0.6130
+ 1365SOL    HW2 5668   0.054   0.666   1.264  1.1593 -0.1138 -0.6693
+ 1366SOL     OW 5669   0.736   3.001   1.518 -0.7711  0.3464 -0.0579
+ 1366SOL    HW1 5670   0.673   2.930   1.524 -0.8680  0.4146 -0.2580
+ 1366SOL    HW2 5671   0.764   3.017   1.608 -1.0230  0.3002  0.0280
+ 1367SOL     OW 5672   0.634   3.437   0.588  0.6382 -0.1476 -0.1593
+ 1367SOL    HW1 5673   0.722   3.466   0.564  0.8650 -0.5600  0.1796
+ 1367SOL    HW2 5674   0.633   3.440   0.683  0.1562  0.2258 -0.1732
+ 1368SOL     OW 5675   2.639   3.329   1.554 -0.0963  0.0326 -0.0728
+ 1368SOL    HW1 5676   2.719   3.380   1.572  1.2001 -1.7409 -0.7235
+ 1368SOL    HW2 5677   2.639   3.261   1.621 -1.3156  0.2871  0.1931
+ 1369SOL     OW 5678   1.637   5.496   0.914  0.5316 -0.3531  0.1071
+ 1369SOL    HW1 5679   1.578   5.571   0.915  0.3699 -0.4840  0.8939
+ 1369SOL    HW2 5680   1.667   5.490   0.823 -0.5700 -0.2130 -0.2790
+ 1370SOL     OW 5681   1.450   3.748   1.851 -0.2173  0.1929 -0.6666
+ 1370SOL    HW1 5682   1.470   3.742   1.944  0.3534  0.6683 -0.7561
+ 1370SOL    HW2 5683   1.438   3.657   1.824  0.8733 -0.0517 -0.3956
+ 1371SOL     OW 5684   0.702   3.863   4.073 -0.0831 -0.3136  0.2976
+ 1371SOL    HW1 5685   0.615   3.870   4.032 -0.4710 -0.7282  1.0368
+ 1371SOL    HW2 5686   0.734   3.777   4.047 -0.1861 -0.4396  0.5859
+ 1372SOL     OW 5687   6.670   4.167   3.225 -0.3762 -0.6063 -0.2032
+ 1372SOL    HW1 5688   6.706   4.097   3.279  1.0028 -0.5078 -0.9491
+ 1372SOL    HW2 5689   6.735   4.178   3.155  0.3218  2.5844  0.8672
+ 1373SOL     OW 5690   1.632   3.699   7.558  0.5749  0.1422 -0.6130
+ 1373SOL    HW1 5691   1.617   3.608   7.535  0.4553  0.0162 -0.0291
+ 1373SOL    HW2 5692   1.547   3.733   7.584  0.9356 -0.0694  0.8892
+ 1374SOL     OW 5693   2.195   2.043   7.115  0.3024 -0.2113  0.1850
+ 1374SOL    HW1 5694   2.171   1.961   7.072  0.6737 -0.2618  0.0725
+ 1374SOL    HW2 5695   2.191   2.023   7.208  1.6702 -0.7237  0.1378
+ 1375SOL     OW 5696   2.063   4.250   1.903  0.1905  0.0848 -0.6095
+ 1375SOL    HW1 5697   2.019   4.200   1.972 -1.2590 -0.3595 -1.8211
+ 1375SOL    HW2 5698   2.077   4.336   1.941 -2.4810  0.4736 -0.4341
+ 1376SOL     OW 5699   1.418   3.998   0.989  0.3692 -0.3579  0.2605
+ 1376SOL    HW1 5700   1.337   4.050   0.989  0.3070 -0.4487 -0.5832
+ 1376SOL    HW2 5701   1.390   3.909   1.010  0.1821 -0.4740 -0.4453
+ 1377SOL     OW 5702   1.315   3.520   7.319 -0.4440  0.2339 -0.0818
+ 1377SOL    HW1 5703   1.284   3.430   7.319  0.9919 -0.2813  1.3373
+ 1377SOL    HW2 5704   1.236   3.572   7.303 -1.4996 -1.1980  0.3731
+ 1378SOL     OW 5705   7.629   4.505   0.760  0.1252 -0.3502 -0.7127
+ 1378SOL    HW1 5706   7.600   4.414   0.752  0.5868 -0.5856  0.2410
+ 1378SOL    HW2 5707   7.696   4.503   0.828  1.8360  0.3073 -2.3342
+ 1379SOL     OW 5708   2.703   3.690   6.742 -0.2074  0.0239  0.2241
+ 1379SOL    HW1 5709   2.668   3.644   6.818 -2.4643 -0.8026 -1.2388
+ 1379SOL    HW2 5710   2.696   3.626   6.671 -0.5016  1.6232 -1.2026
+ 1380SOL     OW 5711   1.600   1.651   1.805  0.2038  0.1718 -0.2231
+ 1380SOL    HW1 5712   1.673   1.714   1.807  1.1322 -0.7919 -2.1028
+ 1380SOL    HW2 5713   1.585   1.629   1.897  2.0447  0.6721  0.2259
+ 1381SOL     OW 5714   0.915   1.996   2.796  0.0503 -1.3563  0.4478
+ 1381SOL    HW1 5715   0.856   2.064   2.764  1.0977 -0.9278 -0.5955
+ 1381SOL    HW2 5716   0.925   2.014   2.889  1.6868  0.9662 -0.1427
+ 1382SOL     OW 5717   7.803   3.379   0.806  0.1011  0.0974 -0.1228
+ 1382SOL    HW1 5718   7.731   3.394   0.867 -1.2488 -1.5034 -1.2289
+ 1382SOL    HW2 5719   7.794   3.449   0.741  1.3447  1.6104  1.3183
+ 1383SOL     OW 5720   1.163   5.021   1.369  1.0501 -0.2754  0.3400
+ 1383SOL    HW1 5721   1.221   5.097   1.375  0.1323  0.4050  0.7049
+ 1383SOL    HW2 5722   1.110   5.038   1.291  0.0393  0.0314  1.0889
+ 1384SOL     OW 5723   0.272   2.385   2.679  0.3339 -0.2228 -0.2475
+ 1384SOL    HW1 5724   0.248   2.476   2.695  0.7227 -0.2726  0.6376
+ 1384SOL    HW2 5725   0.254   2.340   2.761 -1.4805 -1.2986 -1.2104
+ 1385SOL     OW 5726   0.658   3.208   0.886 -0.2070 -0.7172  0.6105
+ 1385SOL    HW1 5727   0.571   3.226   0.851 -0.2872  1.8120  1.9671
+ 1385SOL    HW2 5728   0.647   3.129   0.938 -1.3040 -1.3746 -0.5833
+ 1386SOL     OW 5729   2.360   2.871   7.139 -0.3571  0.4353 -0.2317
+ 1386SOL    HW1 5730   2.432   2.840   7.194 -2.5197 -3.5736  0.5008
+ 1386SOL    HW2 5731   2.399   2.879   7.052  0.9732 -1.7890  0.1263
+ 1387SOL     OW 5732   7.412   2.594   1.596 -0.3046  0.0939 -0.4403
+ 1387SOL    HW1 5733   7.498   2.633   1.582 -0.8667  1.5337 -0.0176
+ 1387SOL    HW2 5734   7.398   2.538   1.520  0.4051  0.9797 -1.2364
+ 1388SOL     OW 5735   2.467   2.501   1.160  0.2873  0.5548 -0.4000
+ 1388SOL    HW1 5736   2.517   2.428   1.122  0.7535  1.0229 -0.6887
+ 1388SOL    HW2 5737   2.421   2.540   1.086  0.7642  1.1249 -0.4023
+ 1389SOL     OW 5738   1.487   1.928   1.689 -0.0813  0.2608  0.0923
+ 1389SOL    HW1 5739   1.574   1.940   1.652  0.1815 -0.3716  0.5015
+ 1389SOL    HW2 5740   1.481   1.993   1.759  0.8682 -1.1279  1.4843
+ 1390SOL     OW 5741   1.187   0.976   0.230 -0.0574  0.0489  0.3635
+ 1390SOL    HW1 5742   1.203   1.006   0.320  0.3220  0.8582  0.0353
+ 1390SOL    HW2 5743   1.159   0.885   0.240  1.6030 -0.4059  1.1813
+ 1391SOL     OW 5744   0.890   3.187   0.718  0.4329 -0.2455  0.6181
+ 1391SOL    HW1 5745   0.872   3.096   0.698 -0.0670  0.0234 -0.1435
+ 1391SOL    HW2 5746   0.808   3.221   0.754  1.1587 -0.5871  2.6846
+ 1392SOL     OW 5747   4.328   1.658   0.161  0.5693 -0.6070 -0.6096
+ 1392SOL    HW1 5748   4.370   1.686   0.242  0.3557 -1.1805 -0.2931
+ 1392SOL    HW2 5749   4.327   1.736   0.105  0.0002 -0.0041  0.2372
+ 1393SOL     OW 5750   1.546   2.622   7.703 -0.1124  0.4639 -0.0688
+ 1393SOL    HW1 5751   1.490   2.642   7.629  0.5520  0.7932 -0.4830
+ 1393SOL    HW2 5752   1.625   2.674   7.689 -0.2127  0.9651  1.1585
+ 1394SOL     OW 5753   7.724   4.976   1.559  0.2147 -0.2174 -0.2850
+ 1394SOL    HW1 5754   7.717   4.885   1.590  0.3260 -0.0857  0.1308
+ 1394SOL    HW2 5755   7.789   4.972   1.490 -0.1571 -0.5453 -0.6197
+ 1395SOL     OW 5756   7.849   2.704   1.953  0.2195 -0.0059  0.7357
+ 1395SOL    HW1 5757   7.835   2.610   1.953 -0.7917  0.1207 -1.0933
+ 1395SOL    HW2 5758   7.793   2.737   1.883  3.2687  1.5173 -1.1136
+ 1396SOL     OW 5759   0.253   3.823   0.637  0.4233 -1.0421 -0.2248
+ 1396SOL    HW1 5760   0.337   3.862   0.611 -0.8002  0.3988 -2.1495
+ 1396SOL    HW2 5761   0.257   3.820   0.732  1.4796  1.8519 -0.1071
+ 1397SOL     OW 5762   1.550   2.202   1.341 -0.0477  0.0422 -0.1850
+ 1397SOL    HW1 5763   1.615   2.209   1.412  0.8034 -0.7146 -0.8699
+ 1397SOL    HW2 5764   1.492   2.276   1.355  0.1631 -0.0338  1.2568
+ 1398SOL     OW 5765   0.080   1.049   7.110 -0.7723 -0.2816  0.1885
+ 1398SOL    HW1 5766   0.025   1.126   7.123 -0.8512 -0.4982  1.1283
+ 1398SOL    HW2 5767   0.147   1.056   7.178  0.6568  0.2295 -1.2343
+ 1399SOL     OW 5768   2.462   3.611   7.879 -0.2329  0.3679 -0.2672
+ 1399SOL    HW1 5769   2.381   3.646   7.915  0.1361  0.9624 -0.0113
+ 1399SOL    HW2 5770   2.444   3.519   7.864 -1.7216  0.9711 -2.3574
+ 1400SOL     OW 5771   2.252   2.880   2.723 -0.3488  0.2953  0.0910
+ 1400SOL    HW1 5772   2.193   2.858   2.796 -0.5549  2.4126  0.6010
+ 1400SOL    HW2 5773   2.202   2.942   2.670  0.8271  0.8550 -0.3678
+ 1401SOL     OW 5774   1.756   4.383   0.162  0.2163  0.1359  0.0004
+ 1401SOL    HW1 5775   1.686   4.428   0.115  0.8259  2.3646  1.1837
+ 1401SOL    HW2 5776   1.754   4.420   0.250  2.8031  0.1519  0.0968
+ 1402SOL     OW 5777   1.694   1.637   2.380 -0.3807 -0.2931  0.0766
+ 1402SOL    HW1 5778   1.787   1.617   2.370 -0.7312 -1.4111 -1.0444
+ 1402SOL    HW2 5779   1.684   1.654   2.474  0.7326 -1.3312  0.4026
+ 1403SOL     OW 5780   1.157   4.002   2.519  0.0383 -0.0316 -0.5574
+ 1403SOL    HW1 5781   1.156   3.914   2.556  0.4115  0.4581  0.6493
+ 1403SOL    HW2 5782   1.074   4.010   2.473  0.2478 -1.2132 -1.1827
+ 1404SOL     OW 5783   0.215   4.381   1.717 -0.1484  0.1029  0.3929
+ 1404SOL    HW1 5784   0.236   4.386   1.810 -0.2394 -1.8929  0.5499
+ 1404SOL    HW2 5785   0.124   4.352   1.714  0.4559 -1.8150 -0.2978
+ 1405SOL     OW 5786   2.777   2.169   1.308  0.1273 -0.4431  0.2280
+ 1405SOL    HW1 5787   2.809   2.254   1.340 -0.2112 -1.2405  2.7804
+ 1405SOL    HW2 5788   2.855   2.113   1.309 -0.0602 -0.7006  0.5158
+ 1406SOL     OW 5789   1.976   2.561   6.827  0.5634  0.6154  0.2648
+ 1406SOL    HW1 5790   2.034   2.636   6.815  0.2563  0.6828 -0.8469
+ 1406SOL    HW2 5791   2.004   2.521   6.909  1.1615  1.5613  0.5201
+ 1407SOL     OW 5792   0.409   2.394   0.050  0.5282  0.7100  0.3790
+ 1407SOL    HW1 5793   0.455   2.408   0.133  1.0820  1.6682 -0.0820
+ 1407SOL    HW2 5794   0.349   2.468   0.044  0.3467  0.5324  0.0066
+ 1408SOL     OW 5795   2.872   1.777   1.537 -0.1161  0.2853  0.0650
+ 1408SOL    HW1 5796   2.857   1.686   1.511 -0.3996  0.5672 -0.7855
+ 1408SOL    HW2 5797   2.927   1.813   1.468  0.0278  0.7522  0.4192
+ 1409SOL     OW 5798   1.977   2.365   2.590  0.4992  0.2205 -0.5541
+ 1409SOL    HW1 5799   2.021   2.445   2.618  0.5581  0.5699 -1.6020
+ 1409SOL    HW2 5800   2.041   2.321   2.534 -0.2498  0.4223 -1.5838
+ 1410SOL     OW 5801   0.918   3.571   0.668 -0.2642  0.0711  0.0467
+ 1410SOL    HW1 5802   0.942   3.617   0.749 -0.3451  0.5061 -0.1729
+ 1410SOL    HW2 5803   0.967   3.489   0.672 -0.2837  0.0821  0.5465
+ 1411SOL     OW 5804   0.992   5.170   2.592  0.0121  0.5576 -0.0844
+ 1411SOL    HW1 5805   1.084   5.179   2.616  0.6298 -1.2845 -1.6359
+ 1411SOL    HW2 5806   0.988   5.198   2.501 -0.6304 -1.0401 -0.5566
+ 1412SOL     OW 5807   7.210   2.494   1.736 -0.4525  0.6883 -0.0413
+ 1412SOL    HW1 5808   7.270   2.548   1.685 -1.5450  0.5083 -1.5374
+ 1412SOL    HW2 5809   7.263   2.420   1.764  0.1636  0.7733 -0.9552
+ 1413SOL     OW 5810   0.754   2.846   7.281 -0.3345 -0.2921  0.0349
+ 1413SOL    HW1 5811   0.756   2.918   7.344 -0.9931  0.1389 -0.4240
+ 1413SOL    HW2 5812   0.752   2.890   7.196 -1.5867 -0.8360 -0.2290
+ 1414SOL     OW 5813   2.981   2.809   0.964 -0.2388  0.2388  0.0912
+ 1414SOL    HW1 5814   3.031   2.859   1.028  0.0382 -0.7861  0.6849
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+ 1415SOL     OW 5816   0.365   3.153   2.339 -0.5432 -0.2696 -0.2649
+ 1415SOL    HW1 5817   0.367   3.068   2.294 -1.5997 -0.4145 -0.0485
+ 1415SOL    HW2 5818   0.457   3.180   2.342 -0.2830 -1.0241 -1.0546
+ 1416SOL     OW 5819   7.687   3.322   2.640 -0.3918 -0.6447  0.6794
+ 1416SOL    HW1 5820   7.767   3.287   2.600 -1.2248 -1.9047  0.0877
+ 1416SOL    HW2 5821   7.709   3.332   2.732  0.7077 -0.1937  0.3867
+ 1417SOL     OW 5822   1.040   1.748   1.455 -0.1971 -0.3187  0.6837
+ 1417SOL    HW1 5823   1.067   1.804   1.528  1.7724 -0.9570  0.4610
+ 1417SOL    HW2 5824   1.069   1.660   1.480 -0.0262 -0.6390 -0.6109
+ 1418SOL     OW 5825   1.619   2.904   6.600 -0.5537 -0.2625  0.2228
+ 1418SOL    HW1 5826   1.632   2.999   6.600 -0.1856 -0.3147 -0.3451
+ 1418SOL    HW2 5827   1.526   2.893   6.621 -1.0604  0.2883 -1.6448
+ 1419SOL     OW 5828   0.533   2.594   7.640  0.0627 -0.3535  0.6116
+ 1419SOL    HW1 5829   0.569   2.605   7.729  2.5956 -0.0452 -0.4117
+ 1419SOL    HW2 5830   0.608   2.566   7.588 -1.1954  0.4337 -1.6464
+ 1420SOL     OW 5831   1.201   4.337   1.842 -0.0179  0.7765  0.0492
+ 1420SOL    HW1 5832   1.149   4.258   1.830  0.7749  0.2857 -0.1829
+ 1420SOL    HW2 5833   1.151   4.390   1.904  0.4994 -0.8430  1.8977
+ 1421SOL     OW 5834   1.550   2.193   2.315  0.2775 -0.3636  1.0613
+ 1421SOL    HW1 5835   1.620   2.132   2.337  2.5447  1.8642  0.3347
+ 1421SOL    HW2 5836   1.524   2.170   2.226 -0.6195 -1.8232  1.6873
+ 1422SOL     OW 5837   1.444   2.745   1.182 -0.7507 -0.1705  0.0383
+ 1422SOL    HW1 5838   1.364   2.693   1.194 -0.7729  0.2961  2.0371
+ 1422SOL    HW2 5839   1.463   2.781   1.269  0.0246  2.0757 -1.0108
+ 1423SOL     OW 5840   1.487   1.554   0.961  0.0458  0.2716  0.2816
+ 1423SOL    HW1 5841   1.412   1.559   1.020  0.1884  2.4269  0.3153
+ 1423SOL    HW2 5842   1.460   1.601   0.883  1.3892  1.1567  0.3388
+ 1424SOL     OW 5843   7.712   1.079   0.603  0.0749  0.4563 -0.7500
+ 1424SOL    HW1 5844   7.676   1.168   0.605 -2.2715 -0.5018  0.3936
+ 1424SOL    HW2 5845   7.709   1.055   0.510 -0.1296  1.2208 -0.9505
+ 1425SOL     OW 5846   7.818   4.840   3.286  0.0591  0.5548 -0.1479
+ 1425SOL    HW1 5847   7.731   4.875   3.268  0.5768  1.7222 -0.4979
+ 1425SOL    HW2 5848   7.874   4.918   3.289  1.3780 -0.3153 -1.5916
+ 1426SOL     OW 5849   1.314   4.270   7.650 -0.2198  0.1570 -0.5296
+ 1426SOL    HW1 5850   1.263   4.342   7.687  0.4496 -0.3342  1.3742
+ 1426SOL    HW2 5851   1.264   4.243   7.572 -1.2042  1.7404 -0.4716
+ 1427SOL     OW 5852   3.216   3.369   0.300  0.3225 -0.0070 -0.3407
+ 1427SOL    HW1 5853   3.252   3.407   0.380  0.8020 -3.4840  1.1800
+ 1427SOL    HW2 5854   3.293   3.357   0.243  0.3107  0.3629 -0.4369
+ 1428SOL     OW 5855   7.739   2.868   5.920  0.1810  0.7880 -0.4971
+ 1428SOL    HW1 5856   7.706   2.778   5.917 -1.5231  1.3463  0.7193
+ 1428SOL    HW2 5857   7.754   2.890   5.828  2.2140 -1.2759 -0.7059
+ 1429SOL     OW 5858   1.345   1.976   0.685 -0.3327 -0.3975 -0.8023
+ 1429SOL    HW1 5859   1.410   1.959   0.617 -1.4547 -1.0285 -1.7603
+ 1429SOL    HW2 5860   1.376   2.054   0.731  0.8958 -0.4895 -1.4727
+ 1430SOL     OW 5861   5.994   2.551   1.943 -0.0433  0.0606 -0.3890
+ 1430SOL    HW1 5862   5.983   2.467   1.988 -0.8259  0.0228 -0.6459
+ 1430SOL    HW2 5863   6.054   2.600   1.999 -1.5945  0.2993  1.0910
+ 1431SOL     OW 5864   2.293   0.873   1.469  0.1797 -0.8429  0.6435
+ 1431SOL    HW1 5865   2.290   0.947   1.530  0.7736 -0.4667  0.2242
+ 1431SOL    HW2 5866   2.372   0.825   1.493  0.0603 -1.0672  0.5924
+ 1432SOL     OW 5867   7.450   2.703   4.838 -0.0206  0.0714  0.3323
+ 1432SOL    HW1 5868   7.457   2.609   4.821 -1.5766  0.1881 -1.0583
+ 1432SOL    HW2 5869   7.388   2.711   4.910 -1.6515  0.1449 -1.0664
+ 1433SOL     OW 5870   7.350   3.908   4.410 -0.3580  0.3746  0.3326
+ 1433SOL    HW1 5871   7.338   4.001   4.426 -1.5267  0.1419  0.8222
+ 1433SOL    HW2 5872   7.264   3.869   4.426  0.2127 -0.8417  0.4993
+ 1434SOL     OW 5873   2.076   3.298   2.197  0.1324  0.0016 -0.4263
+ 1434SOL    HW1 5874   2.112   3.338   2.118 -0.2830  0.1272 -0.5541
+ 1434SOL    HW2 5875   2.152   3.285   2.255  0.2400  1.1567 -0.2994
+ 1435SOL     OW 5876   2.049   2.601   2.017  0.4005 -0.0434 -0.1935
+ 1435SOL    HW1 5877   1.982   2.621   1.951  1.0556 -0.1908 -0.9135
+ 1435SOL    HW2 5878   2.108   2.676   2.014  1.5716 -0.9773 -1.2445
+ 1436SOL     OW 5879   2.844   2.231   2.905 -0.5202  0.1908 -0.6428
+ 1436SOL    HW1 5880   2.843   2.251   2.811 -0.6933  0.1540 -0.6491
+ 1436SOL    HW2 5881   2.810   2.142   2.911 -1.1631  0.4475 -0.4854
+ 1437SOL     OW 5882   2.142   1.469   3.207  0.0761  0.1033 -0.2967
+ 1437SOL    HW1 5883   2.135   1.388   3.156 -0.2391 -0.1390  0.1364
+ 1437SOL    HW2 5884   2.236   1.490   3.205  0.2196 -0.5081 -0.0324
+ 1438SOL     OW 5885   1.060   1.620   1.936 -0.6510  0.1079  0.3869
+ 1438SOL    HW1 5886   0.991   1.670   1.892 -0.8169  0.1701  0.7164
+ 1438SOL    HW2 5887   1.053   1.532   1.899 -0.8455  0.1377  0.3498
+ 1439SOL     OW 5888   0.957   3.064   2.008  0.3531 -0.8650  0.0199
+ 1439SOL    HW1 5889   0.920   3.084   2.094 -0.1138  1.0943 -0.5994
+ 1439SOL    HW2 5890   1.051   3.058   2.023  0.0904 -2.6568  1.0327
+ 1440SOL     OW 5891   0.477   1.399   3.406 -0.0499  0.1886 -0.4800
+ 1440SOL    HW1 5892   0.481   1.412   3.312 -0.0282  1.7459 -0.2714
+ 1440SOL    HW2 5893   0.523   1.474   3.443  1.3879 -1.2585  0.7209
+ 1441SOL     OW 5894   0.721   3.052   2.700  0.0102  0.4017  0.1723
+ 1441SOL    HW1 5895   0.663   3.020   2.631 -0.0671  1.2287 -0.1589
+ 1441SOL    HW2 5896   0.781   3.112   2.655 -0.4118  1.3918  0.9092
+ 1442SOL     OW 5897   1.003   1.807   4.926  0.0460  0.5038  0.4082
+ 1442SOL    HW1 5898   1.097   1.817   4.942  0.1392 -0.2206  0.3438
+ 1442SOL    HW2 5899   0.998   1.748   4.851 -0.4774 -0.3594  1.1164
+ 1443SOL     OW 5900   1.347   2.316   1.109 -0.2243 -0.0275 -0.3965
+ 1443SOL    HW1 5901   1.400   2.346   1.035  0.4344  2.2216  0.9134
+ 1443SOL    HW2 5902   1.397   2.342   1.186 -0.9372 -2.2550  0.8704
+ 1444SOL     OW 5903   1.296   3.409   2.532 -0.1556 -0.5928 -0.4708
+ 1444SOL    HW1 5904   1.303   3.407   2.628  0.8151 -0.9874 -0.5417
+ 1444SOL    HW2 5905   1.387   3.399   2.502 -0.1729  1.6821 -1.4119
+ 1445SOL     OW 5906   2.201   3.531   2.862 -0.5569 -0.4098 -0.0928
+ 1445SOL    HW1 5907   2.118   3.530   2.910 -0.7617 -0.5075 -0.4505
+ 1445SOL    HW2 5908   2.199   3.613   2.812  0.6117  0.7761  1.7327
+ 1446SOL     OW 5909   6.618   3.213   3.146 -0.4793  0.3053  0.6179
+ 1446SOL    HW1 5910   6.523   3.205   3.146 -0.3730 -1.3401  1.0751
+ 1446SOL    HW2 5911   6.636   3.301   3.114 -2.1260  0.2591 -0.4532
+ 1447SOL     OW 5912   6.653   3.060   2.444 -0.6674  0.4314 -0.0595
+ 1447SOL    HW1 5913   6.720   3.096   2.502 -1.7060  1.3757  0.5752
+ 1447SOL    HW2 5914   6.658   2.966   2.458  1.7533  0.3007 -1.3787
+ 1448SOL     OW 5915   1.453   2.676   2.962  0.5704  0.0129 -0.3358
+ 1448SOL    HW1 5916   1.507   2.753   2.946  0.8439  0.1311  1.0555
+ 1448SOL    HW2 5917   1.513   2.613   3.003  0.1504 -0.6290 -0.6922
+ 1449SOL     OW 5918   7.746   2.055   2.339  0.3310 -0.2876 -0.6383
+ 1449SOL    HW1 5919   7.654   2.080   2.331  0.9049  2.1397 -0.2911
+ 1449SOL    HW2 5920   7.775   2.039   2.249 -0.2602 -0.3280 -0.8199
+ 1450SOL     OW 5921   2.950   2.825   3.805  0.2883  0.2828  0.4741
+ 1450SOL    HW1 5922   3.010   2.762   3.765  1.3088  1.3432  0.3037
+ 1450SOL    HW2 5923   3.007   2.898   3.832 -0.9289  1.3053  0.2937
+ 1451SOL     OW 5924   7.210   4.527   2.765  0.1341 -0.0391  0.1589
+ 1451SOL    HW1 5925   7.238   4.592   2.701  1.5687 -0.8074 -0.0248
+ 1451SOL    HW2 5926   7.128   4.561   2.800 -0.7164  0.3828 -2.1154
+ 1452SOL     OW 5927   0.431   2.368   1.879  0.3180  0.1240 -0.1197
+ 1452SOL    HW1 5928   0.343   2.355   1.842 -1.1233  0.7298  2.9391
+ 1452SOL    HW2 5929   0.465   2.279   1.891 -0.4605 -0.1534  0.0510
+ 1453SOL     OW 5930   7.046   4.197   3.008  0.2161  0.2459 -0.3871
+ 1453SOL    HW1 5931   7.053   4.286   2.972 -0.9867  0.3391 -0.3839
+ 1453SOL    HW2 5932   7.137   4.170   3.022  0.5811  1.5657 -0.1730
+ 1454SOL     OW 5933   2.924   2.833   1.866 -0.2213  0.0619  0.2417
+ 1454SOL    HW1 5934   2.983   2.805   1.796 -0.2083  0.6965 -0.0021
+ 1454SOL    HW2 5935   2.982   2.859   1.938 -0.2488 -2.0607  1.0829
+ 1455SOL     OW 5936   1.825   2.486   7.579 -0.1201 -0.2592 -0.7599
+ 1455SOL    HW1 5937   1.919   2.469   7.591 -0.4038 -1.4233 -0.0743
+ 1455SOL    HW2 5938   1.787   2.474   7.666 -0.9326  0.0369 -1.0673
+ 1456SOL     OW 5939   7.572   1.024   5.181 -0.3048  0.4130 -0.0669
+ 1456SOL    HW1 5940   7.518   1.033   5.102  0.5820  0.0100 -0.7236
+ 1456SOL    HW2 5941   7.563   1.108   5.225 -1.0447  0.5409 -0.4504
+ 1457SOL     OW 5942   6.705   3.725   3.688 -0.5013  0.0718 -0.8091
+ 1457SOL    HW1 5943   6.733   3.636   3.670 -1.0595 -0.8507  2.4482
+ 1457SOL    HW2 5944   6.626   3.737   3.635 -0.3977 -1.3741 -1.2949
+ 1458SOL     OW 5945   7.571   2.909   3.635  0.0382 -0.6822  0.0765
+ 1458SOL    HW1 5946   7.630   2.982   3.615 -0.2602 -0.2524  0.7413
+ 1458SOL    HW2 5947   7.590   2.888   3.727  1.7491 -2.9452 -0.7225
+ 1459SOL     OW 5948   1.424   1.995   2.039 -0.1804 -0.2824  0.3307
+ 1459SOL    HW1 5949   1.389   1.906   2.033  0.2030 -0.4357  0.3385
+ 1459SOL    HW2 5950   1.363   2.049   1.989 -0.0586 -0.6556 -0.2211
+ 1460SOL     OW 5951   0.548   3.478   3.207  0.0081 -0.3816  0.6874
+ 1460SOL    HW1 5952   0.550   3.421   3.130 -3.1633 -0.4052  0.5241
+ 1460SOL    HW2 5953   0.550   3.567   3.172  1.5289 -0.3960  0.7435
+ 1461SOL     OW 5954   2.797   3.666   1.427 -0.0443  0.0060 -0.1995
+ 1461SOL    HW1 5955   2.824   3.585   1.470  1.0756  0.1348 -0.6533
+ 1461SOL    HW2 5956   2.749   3.637   1.349  0.5486 -0.2128 -0.4793
+ 1462SOL     OW 5957   1.207   2.059   1.882  0.2303 -0.3819 -0.1140
+ 1462SOL    HW1 5958   1.171   2.015   1.805 -0.0132  0.5263 -0.5198
+ 1462SOL    HW2 5959   1.135   2.111   1.917  0.3694 -0.7027  0.6733
+ 1463SOL     OW 5960   6.589   5.220   4.272 -0.1184 -0.0339  0.7786
+ 1463SOL    HW1 5961   6.571   5.285   4.340  0.9282  0.5437  0.5126
+ 1463SOL    HW2 5962   6.609   5.272   4.194 -1.1108 -0.6898  0.0776
+ 1464SOL     OW 5963   2.763   2.658   4.140 -0.2808  0.3817  0.0724
+ 1464SOL    HW1 5964   2.849   2.629   4.109 -0.7666 -0.6428 -0.3576
+ 1464SOL    HW2 5965   2.747   2.604   4.218  0.5102  2.2686  1.5869
+ 1465SOL     OW 5966   1.750   3.909   2.957 -0.1186 -0.4612  0.4069
+ 1465SOL    HW1 5967   1.690   3.872   3.022 -0.6549 -1.1300 -0.4458
+ 1465SOL    HW2 5968   1.710   3.888   2.873  0.7712  0.0308 -0.1528
+ 1466SOL     OW 5969   0.255   2.758   1.158  0.1439  0.1997 -0.7308
+ 1466SOL    HW1 5970   0.192   2.823   1.127  0.1191  0.2998 -0.4651
+ 1466SOL    HW2 5971   0.203   2.695   1.207  0.1905  0.0627 -0.8594
+ 1467SOL     OW 5972   7.648   1.817   2.411 -0.1094 -0.1333 -0.5526
+ 1467SOL    HW1 5973   7.676   1.905   2.385  2.5446 -0.7551  0.0115
+ 1467SOL    HW2 5974   7.614   1.827   2.499 -1.6911  0.6496 -1.2400
+ 1468SOL     OW 5975   1.479   3.552   1.426  0.4870 -0.0441  0.0406
+ 1468SOL    HW1 5976   1.541   3.625   1.416 -0.4541  0.7863  0.1313
+ 1468SOL    HW2 5977   1.533   3.479   1.456  1.5618  0.4221 -0.7048
+ 1469SOL     OW 5978   1.055   4.597   3.085 -0.5682 -0.2765 -0.0333
+ 1469SOL    HW1 5979   1.054   4.502   3.089  0.8656 -0.3007  0.1898
+ 1469SOL    HW2 5980   1.113   4.623   3.157 -0.9861  0.7646 -0.0597
+ 1470SOL     OW 5981   2.598   1.772   2.870  0.4307 -0.0087  0.2356
+ 1470SOL    HW1 5982   2.637   1.685   2.869 -1.1111 -0.7586  2.0010
+ 1470SOL    HW2 5983   2.505   1.756   2.855  0.4251  1.5590 -1.7222
+ 1471SOL     OW 5984   7.878   2.840   3.113 -0.1512 -0.4668  0.2876
+ 1471SOL    HW1 5985   7.867   2.747   3.133 -0.0198 -0.3365  0.9938
+ 1471SOL    HW2 5986   7.849   2.885   3.193 -1.4365  0.1403 -0.5086
+ 1472SOL     OW 5987   6.705   0.747   2.637 -0.3313  0.2619 -0.0447
+ 1472SOL    HW1 5988   6.784   0.694   2.650 -0.5918  0.1853  1.3110
+ 1472SOL    HW2 5989   6.738   0.836   2.623 -0.0191  0.2835  0.8125
+ 1473SOL     OW 5990   7.540   1.075   2.660 -0.5494 -0.5921  0.0661
+ 1473SOL    HW1 5991   7.510   1.063   2.570 -1.6214 -1.8055  0.5595
+ 1473SOL    HW2 5992   7.630   1.105   2.652 -0.7693 -0.2902 -1.4114
+ 1474SOL     OW 5993   7.254   4.231   1.413  0.0649  0.0277 -0.0704
+ 1474SOL    HW1 5994   7.320   4.300   1.412  0.0145  0.0838  0.5912
+ 1474SOL    HW2 5995   7.298   4.156   1.451 -0.1104 -0.0814 -0.0838
+ 1475SOL     OW 5996   0.501   2.897   3.265  0.1992  0.2964  0.2108
+ 1475SOL    HW1 5997   0.482   2.955   3.192  0.7682  0.7112  0.3858
+ 1475SOL    HW2 5998   0.560   2.947   3.321 -0.7990  0.2487  1.3282
+ 1476SOL     OW 5999   1.147   1.878   3.227  0.3042 -0.2972  0.4282
+ 1476SOL    HW1 6000   1.212   1.910   3.289 -0.1723  0.7526  0.3977
+ 1476SOL    HW2 6001   1.197   1.857   3.148  0.3477  2.4527 -0.3045
+ 1477SOL     OW 6002   1.607   2.351   3.603  0.0637 -0.3235  0.1458
+ 1477SOL    HW1 6003   1.678   2.308   3.651  0.8328 -0.5126 -1.1210
+ 1477SOL    HW2 6004   1.527   2.320   3.645  0.7273 -0.4643  1.3049
+ 1478SOL     OW 6005   1.158   2.080   2.311 -0.0187 -0.5746  0.0093
+ 1478SOL    HW1 6006   1.109   2.132   2.375 -0.6661 -0.7945 -0.3035
+ 1478SOL    HW2 6007   1.133   2.117   2.226  3.1963  1.7764 -0.0081
+ 1479SOL     OW 6008   7.611   3.507   1.875  0.3336  0.1178 -0.3342
+ 1479SOL    HW1 6009   7.653   3.532   1.792  3.7026 -0.8830  0.9924
+ 1479SOL    HW2 6010   7.642   3.418   1.891 -0.4039  0.2595  1.9513
+ 1480SOL     OW 6011   1.452   4.115   2.889  0.3636 -0.2209 -0.0762
+ 1480SOL    HW1 6012   1.467   4.025   2.861  1.0494 -0.0533 -0.2740
+ 1480SOL    HW2 6013   1.394   4.151   2.822  0.7759 -0.2713 -0.4710
+ 1481SOL     OW 6014   7.090   3.749   3.773  0.0654 -0.3930 -0.1944
+ 1481SOL    HW1 6015   7.140   3.823   3.807 -0.8435 -0.6987  1.8947
+ 1481SOL    HW2 6016   7.023   3.788   3.718 -0.9086  0.4188  1.5280
+ 1482SOL     OW 6017   2.757   3.461   2.673  0.6649 -0.2251 -0.2076
+ 1482SOL    HW1 6018   2.703   3.388   2.642  0.2406  0.3082 -0.7366
+ 1482SOL    HW2 6019   2.840   3.420   2.699  1.3555 -0.6237 -2.8222
+ 1483SOL     OW 6020   1.875   3.378   4.047 -0.1693 -0.5650 -0.2226
+ 1483SOL    HW1 6021   1.867   3.436   4.123  0.6346 -0.0728 -0.5087
+ 1483SOL    HW2 6022   1.785   3.364   4.018 -0.2962  2.2500 -1.4283
+ 1484SOL     OW 6023   0.377   4.136   2.996 -0.3318  0.1194  0.1200
+ 1484SOL    HW1 6024   0.330   4.084   3.062 -0.4312  0.3846  0.2582
+ 1484SOL    HW2 6025   0.469   4.113   3.009 -0.4012 -0.2195  0.0090
+ 1485SOL     OW 6026   0.814   1.627   2.637  0.2765 -0.2124 -0.5283
+ 1485SOL    HW1 6027   0.727   1.638   2.676  0.7780 -0.4632  0.7031
+ 1485SOL    HW2 6028   0.828   1.706   2.585  0.2403  0.8954  1.1144
+ 1486SOL     OW 6029   7.265   3.461   2.590 -0.3417  0.2094  0.2958
+ 1486SOL    HW1 6030   7.276   3.367   2.606 -1.1049 -0.1043 -0.9894
+ 1486SOL    HW2 6031   7.353   3.493   2.572 -0.0203 -0.1718  1.1443
+ 1487SOL     OW 6032   1.322   2.409   3.186 -0.2652 -0.6427 -0.2151
+ 1487SOL    HW1 6033   1.362   2.493   3.211  2.8819 -0.8669 -3.8986
+ 1487SOL    HW2 6034   1.240   2.434   3.144 -0.5727  0.4076  0.9724
+ 1488SOL     OW 6035   0.646   3.003   3.727 -0.2627  0.2609  0.0045
+ 1488SOL    HW1 6036   0.574   3.014   3.789 -0.1008  0.7510  0.1032
+ 1488SOL    HW2 6037   0.690   2.923   3.756 -1.1731 -0.4211 -0.4665
+ 1489SOL     OW 6038   0.358   3.256   2.826 -0.0658 -0.3622  0.0724
+ 1489SOL    HW1 6039   0.289   3.311   2.864  0.1569  1.2127 -1.6874
+ 1489SOL    HW2 6040   0.438   3.284   2.871 -0.2855 -0.9267  0.8368
+ 1490SOL     OW 6041   0.837   1.205   3.022 -0.2805 -0.3412  0.3033
+ 1490SOL    HW1 6042   0.884   1.256   3.087 -1.9656  0.6075  0.8089
+ 1490SOL    HW2 6043   0.866   1.240   2.938  0.3090 -0.1262  0.5963
+ 1491SOL     OW 6044   2.698   4.846   1.774 -0.5427  0.1017  0.0562
+ 1491SOL    HW1 6045   2.785   4.819   1.743 -0.4441  0.4181  0.0589
+ 1491SOL    HW2 6046   2.682   4.930   1.731 -0.5953  0.3267  0.5167
+ 1492SOL     OW 6047   7.477   2.543   3.242  0.3294  0.3412 -0.5473
+ 1492SOL    HW1 6048   7.461   2.632   3.208  2.4963  0.0114 -2.5589
+ 1492SOL    HW2 6049   7.444   2.485   3.173 -0.7680 -0.4395  0.6142
+ 1493SOL     OW 6050   2.584   4.345   1.986 -0.4503 -0.1447 -0.0019
+ 1493SOL    HW1 6051   2.667   4.317   1.947 -0.6290  1.0011 -1.2283
+ 1493SOL    HW2 6052   2.598   4.436   2.010 -1.2265 -0.0596  0.1532
+ 1494SOL     OW 6053   0.093   1.974   2.312  0.3317 -0.0266 -0.5029
+ 1494SOL    HW1 6054   0.029   1.905   2.324 -0.0213  0.2529 -0.7713
+ 1494SOL    HW2 6055   0.152   1.966   2.387  0.7002 -1.0547 -0.8930
+ 1495SOL     OW 6056   1.669   0.820   3.391 -0.0276  0.7311  0.0884
+ 1495SOL    HW1 6057   1.660   0.865   3.475 -1.6009 -2.3943  1.6791
+ 1495SOL    HW2 6058   1.743   0.760   3.404 -0.2387  0.2864 -0.7771
+ 1496SOL     OW 6059   0.887   3.131   2.274 -0.0183 -0.4708 -0.0230
+ 1496SOL    HW1 6060   0.969   3.172   2.302  1.2614 -2.7711 -0.2757
+ 1496SOL    HW2 6061   0.820   3.172   2.329  1.0735  2.4120 -0.7100
+ 1497SOL     OW 6062   2.135   2.224   3.882 -0.0950  0.2977 -0.7065
+ 1497SOL    HW1 6063   2.178   2.254   3.962 -1.6980  0.3960  0.1492
+ 1497SOL    HW2 6064   2.052   2.272   3.880 -1.2760 -1.6754 -0.9884
+ 1498SOL     OW 6065   2.309   3.221   3.686  0.1171 -0.7196  0.1372
+ 1498SOL    HW1 6066   2.315   3.180   3.773  1.0049 -0.1680  0.3496
+ 1498SOL    HW2 6067   2.394   3.204   3.646  0.5617  1.0271  0.2898
+ 1499SOL     OW 6068   0.579   2.678   3.153  0.3562 -0.5168  0.5252
+ 1499SOL    HW1 6069   0.565   2.756   3.206  0.2506 -0.6520  0.6948
+ 1499SOL    HW2 6070   0.577   2.710   3.063 -0.5371 -0.4646  0.5670
+ 1500SOL     OW 6071   0.382   2.293   2.460 -0.3118 -0.1608  0.1068
+ 1500SOL    HW1 6072   0.304   2.283   2.406 -0.2707  0.1839 -0.0207
+ 1500SOL    HW2 6073   0.348   2.325   2.544 -0.3787 -0.7293  0.2960
+ 1501SOL     OW 6074   1.009   3.029   3.199 -0.4812  0.4109  0.1022
+ 1501SOL    HW1 6075   1.025   2.936   3.179 -0.4252 -0.0764  2.2940
+ 1501SOL    HW2 6076   1.046   3.041   3.287 -1.6746  2.1948  0.3776
+ 1502SOL     OW 6077   0.197   2.391   1.694  0.6032 -0.2512 -0.1623
+ 1502SOL    HW1 6078   0.166   2.303   1.673 -0.2443  0.1114 -0.4373
+ 1502SOL    HW2 6079   0.118   2.443   1.704  0.9579 -0.1908  3.1299
+ 1503SOL     OW 6080   0.331   4.013   2.233 -0.1324  0.2842 -0.1896
+ 1503SOL    HW1 6081   0.248   3.995   2.189 -0.5262  0.2464  0.5543
+ 1503SOL    HW2 6082   0.312   4.086   2.292 -0.0649 -0.8062  1.2032
+ 1504SOL     OW 6083   7.311   1.891   2.695  0.2621  0.4798 -0.1404
+ 1504SOL    HW1 6084   7.405   1.872   2.692  0.7391  2.6209  0.5461
+ 1504SOL    HW2 6085   7.270   1.805   2.695  2.2609 -0.5245  0.6962
+ 1505SOL     OW 6086   0.318   2.003   2.523 -0.1727 -0.0934 -0.1030
+ 1505SOL    HW1 6087   0.375   1.956   2.462 -0.0072 -0.4886  0.3510
+ 1505SOL    HW2 6088   0.359   2.089   2.531 -0.1878 -0.0425 -0.5404
+ 1506SOL     OW 6089   0.943   1.828   3.939  0.0451 -0.0254 -0.6987
+ 1506SOL    HW1 6090   0.997   1.753   3.913  0.3428 -0.4176  0.9488
+ 1506SOL    HW2 6091   0.887   1.793   4.009  0.7108  1.4765  0.5967
+ 1507SOL     OW 6092   0.670   4.115   2.707 -0.1701  0.0531  0.3364
+ 1507SOL    HW1 6093   0.661   4.101   2.613 -0.1338 -1.3347  0.5229
+ 1507SOL    HW2 6094   0.751   4.165   2.717 -0.1637  0.1806 -0.3648
+ 1508SOL     OW 6095   2.261   3.350   3.441 -0.2597 -0.4479 -0.1863
+ 1508SOL    HW1 6096   2.305   3.278   3.397 -0.3142 -1.2259  0.9855
+ 1508SOL    HW2 6097   2.293   3.429   3.398  1.2565 -1.0754 -0.2324
+ 1509SOL     OW 6098   1.869   4.083   3.786  0.7111  0.2539  0.0466
+ 1509SOL    HW1 6099   1.898   4.092   3.695  0.8179  0.0702  0.0627
+ 1509SOL    HW2 6100   1.775   4.066   3.780  0.4764  1.5086  0.0179
+ 1510SOL     OW 6101   1.479   1.736   3.304 -0.6364 -0.0185  0.5472
+ 1510SOL    HW1 6102   1.466   1.824   3.338 -0.3202 -0.0927  0.8627
+ 1510SOL    HW2 6103   1.426   1.733   3.225 -0.4277  0.5491  0.3804
+ 1511SOL     OW 6104   7.833   2.038   2.085  0.0436 -0.3571 -0.0055
+ 1511SOL    HW1 6105   7.749   2.080   2.064 -0.4740 -2.0369 -1.4195
+ 1511SOL    HW2 6106   7.896   2.081   2.027 -0.3699 -1.0771 -1.0027
+ 1512SOL     OW 6107   2.968   2.460   4.067  0.5103 -0.4470  0.3439
+ 1512SOL    HW1 6108   3.047   2.490   4.023  0.7734  1.0553  1.8005
+ 1512SOL    HW2 6109   2.999   2.408   4.141  0.1355  0.0666  0.8643
+ 1513SOL     OW 6110   0.452   2.399   2.970  0.3139 -0.3665  0.4027
+ 1513SOL    HW1 6111   0.375   2.449   2.995 -0.9804 -1.4206 -1.3565
+ 1513SOL    HW2 6112   0.423   2.308   2.971  2.4677 -1.0701  2.9613
+ 1514SOL     OW 6113   1.899   1.879   2.607 -1.2048 -0.1011  0.1018
+ 1514SOL    HW1 6114   1.952   1.953   2.636 -1.7865  0.3458  0.0262
+ 1514SOL    HW2 6115   1.882   1.830   2.688 -1.6030  0.3567  0.3002
+ 1515SOL     OW 6116   1.040   2.544   2.190  0.4671 -0.0375  0.5661
+ 1515SOL    HW1 6117   1.091   2.570   2.112  2.4131  0.5510  1.9856
+ 1515SOL    HW2 6118   0.950   2.566   2.168  0.5493 -2.4823 -2.6266
+ 1516SOL     OW 6119   2.712   2.010   2.865 -0.2162 -0.1445  0.1625
+ 1516SOL    HW1 6120   2.624   2.042   2.847 -0.3210  0.6099  1.8721
+ 1516SOL    HW2 6121   2.705   1.915   2.862 -0.9281 -0.0711 -0.4164
+ 1517SOL     OW 6122   3.839   3.570   1.144  0.1304 -0.4926  0.3841
+ 1517SOL    HW1 6123   3.932   3.561   1.166  0.2269  1.4143  0.7876
+ 1517SOL    HW2 6124   3.793   3.555   1.226  0.1945  0.6321  0.6325
+ 1518SOL     OW 6125   1.328   2.722   0.797 -0.1651 -0.7909 -0.7057
+ 1518SOL    HW1 6126   1.289   2.663   0.861 -0.1749  1.1971  1.1954
+ 1518SOL    HW2 6127   1.296   2.691   0.713  1.0969 -4.4314  0.0589
+ 1519SOL     OW 6128   1.333   3.727   0.965 -0.4675 -0.5999  0.0689
+ 1519SOL    HW1 6129   1.419   3.722   0.923 -0.6008  0.7254 -0.3897
+ 1519SOL    HW2 6130   1.271   3.739   0.893 -0.7620  1.0117  0.5614
+ 1520SOL     OW 6131   0.838   1.870   2.452  0.7792 -0.0664 -0.2124
+ 1520SOL    HW1 6132   0.834   1.802   2.384 -1.1702  1.3993 -1.6058
+ 1520SOL    HW2 6133   0.914   1.923   2.427  0.0196  0.5200 -1.3227
+ 1521SOL     OW 6134   0.047   0.745   3.606 -0.2679  0.1791 -0.1840
+ 1521SOL    HW1 6135   0.057   0.828   3.559 -2.6892  1.5137  1.5552
+ 1521SOL    HW2 6136  -0.047   0.726   3.603  0.1389 -2.0540  0.2068
+ 1522SOL     OW 6137   1.865   1.306   2.889  0.1599  0.0661 -0.1656
+ 1522SOL    HW1 6138   1.945   1.304   2.941  0.0856  0.5080 -0.0268
+ 1522SOL    HW2 6139   1.817   1.228   2.915 -0.0905  0.5156  0.7791
+ 1523SOL     OW 6140   0.537   1.946   2.369 -0.2937  0.2720  0.4511
+ 1523SOL    HW1 6141   0.569   1.908   2.288 -1.2009  2.0192 -0.7607
+ 1523SOL    HW2 6142   0.614   1.990   2.407 -0.6496  2.4344 -1.2553
+ 1524SOL     OW 6143   2.656   1.786   3.175  0.5533  0.5162 -0.5273
+ 1524SOL    HW1 6144   2.575   1.738   3.191  1.6295 -1.0915  0.2579
+ 1524SOL    HW2 6145   2.646   1.822   3.087 -1.3266  1.0133 -0.1305
+ 1525SOL     OW 6146   2.158   3.204   3.112 -0.0307 -0.6503 -0.8432
+ 1525SOL    HW1 6147   2.216   3.162   3.176  0.8519  0.7224 -0.7175
+ 1525SOL    HW2 6148   2.070   3.177   3.139  0.4166 -1.1874  0.1278
+ 1526SOL     OW 6149   7.563   3.129   2.082  0.7049 -0.4717 -0.8351
+ 1526SOL    HW1 6150   7.588   3.194   2.148 -1.2194 -0.6001  0.0532
+ 1526SOL    HW2 6151   7.608   3.048   2.110  1.3444 -0.0796 -0.7167
+ 1527SOL     OW 6152   1.347   1.461   4.714  0.4174 -0.1523 -0.4362
+ 1527SOL    HW1 6153   1.323   1.435   4.625  0.5264  1.5439 -0.9752
+ 1527SOL    HW2 6154   1.264   1.482   4.756  0.1823 -2.6601  0.4581
+ 1528SOL     OW 6155   7.908   3.515   4.136 -0.3192 -0.3960  0.0810
+ 1528SOL    HW1 6156   7.845   3.465   4.083 -3.8644  2.2399  1.5446
+ 1528SOL    HW2 6157   7.940   3.583   4.076  0.5996 -1.3247 -0.4812
+ 1529SOL     OW 6158   0.472   3.821   3.936  0.2956  0.4656  0.3527
+ 1529SOL    HW1 6159   0.476   3.736   3.893 -0.9503  0.1742  0.8060
+ 1529SOL    HW2 6160   0.463   3.884   3.865  0.0039  0.1199  0.0827
+ 1530SOL     OW 6161   0.247   2.632   2.106 -0.5917  0.1426  0.5926
+ 1530SOL    HW1 6162   0.244   2.548   2.060  0.9401  1.5220 -2.2192
+ 1530SOL    HW2 6163   0.264   2.609   2.197  1.3317 -2.5597 -0.3616
+ 1531SOL     OW 6164   1.846   1.359   3.821  0.2211 -0.0117  0.5388
+ 1531SOL    HW1 6165   1.831   1.415   3.898 -2.2425 -0.3600  0.3801
+ 1531SOL    HW2 6166   1.834   1.417   3.746 -0.6737 -0.3695  0.3956
+ 1532SOL     OW 6167   6.849   3.994   3.066  0.4032  0.2695  0.1751
+ 1532SOL    HW1 6168   6.899   3.924   3.025  0.4111 -0.0488  0.7278
+ 1532SOL    HW2 6169   6.903   4.072   3.054  1.3914 -0.2015  1.3980
+ 1533SOL     OW 6170   0.434   2.495   3.258  0.7282 -0.2341  0.2812
+ 1533SOL    HW1 6171   0.427   2.534   3.345  0.3006 -1.3852  0.7717
+ 1533SOL    HW2 6172   0.506   2.542   3.216  1.6709 -0.4317  1.6502
+ 1534SOL     OW 6173   7.700   3.841   2.719  0.2672 -0.5251  0.5124
+ 1534SOL    HW1 6174   7.730   3.931   2.732  0.3219 -0.5304  0.4218
+ 1534SOL    HW2 6175   7.686   3.807   2.807  0.0769 -0.3706  0.5422
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+ 1535SOL    HW1 6177   2.503   2.892   2.536  0.9215 -0.0895  0.4654
+ 1535SOL    HW2 6178   2.621   2.970   2.482 -0.4127  1.0167 -0.8840
+ 1536SOL     OW 6179   0.630   2.873   2.520 -0.3697  0.3762 -0.1657
+ 1536SOL    HW1 6180   0.648   2.780   2.530 -1.2401 -0.0230 -2.1826
+ 1536SOL    HW2 6181   0.548   2.887   2.566  0.3565  0.3962  1.1501
+ 1537SOL     OW 6182   1.943   1.302   2.395  0.9504  0.5108 -0.4181
+ 1537SOL    HW1 6183   1.992   1.271   2.471 -0.5819 -0.5152  0.1774
+ 1537SOL    HW2 6184   1.975   1.247   2.323  1.8471  0.9579 -0.3682
+ 1538SOL     OW 6185   0.495   2.653   1.792 -0.2935 -0.2479 -0.0847
+ 1538SOL    HW1 6186   0.450   2.568   1.793  0.3217 -0.5877 -0.3436
+ 1538SOL    HW2 6187   0.484   2.687   1.881 -2.0454  0.2223 -0.4619
+ 1539SOL     OW 6188   1.152   1.462   2.224  0.8064 -0.5011 -0.1801
+ 1539SOL    HW1 6189   1.115   1.545   2.194 -1.2679 -1.5719 -0.7481
+ 1539SOL    HW2 6190   1.229   1.449   2.169  1.1404  1.0252 -0.0948
+ 1540SOL     OW 6191   3.149   2.395   1.196 -0.8961 -0.7262  0.1629
+ 1540SOL    HW1 6192   3.236   2.370   1.165  0.0465  1.3734  0.9699
+ 1540SOL    HW2 6193   3.092   2.385   1.120  0.2906 -0.9868 -0.7115
+ 1541SOL     OW 6194   1.524   2.599   3.731 -0.0225 -0.5242 -0.3337
+ 1541SOL    HW1 6195   1.553   2.527   3.675  0.0539 -0.6363 -0.1543
+ 1541SOL    HW2 6196   1.451   2.639   3.685  0.5577 -0.1062 -0.8979
+ 1542SOL     OW 6197   7.385   3.339   2.903 -0.5590 -0.0372 -0.0348
+ 1542SOL    HW1 6198   7.362   3.290   2.824 -0.4545 -0.8729  0.4483
+ 1542SOL    HW2 6199   7.463   3.389   2.879  1.1221 -2.3720  0.3303
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+ 1543SOL    HW1 6201   1.152   4.141   3.510 -1.1272 -2.6947 -0.5683
+ 1543SOL    HW2 6202   1.045   4.247   3.492  0.6089 -0.7360  0.4714
+ 1544SOL     OW 6203   0.762   1.527   1.610  0.1483 -0.4688  0.1045
+ 1544SOL    HW1 6204   0.775   1.487   1.525  1.3640 -2.1761  1.0697
+ 1544SOL    HW2 6205   0.668   1.518   1.627 -0.2967  0.9199 -1.5402
+ 1545SOL     OW 6206   0.368   2.743   1.423  0.0210 -0.1669 -0.1191
+ 1545SOL    HW1 6207   0.386   2.776   1.334 -0.6759 -0.4558 -0.3729
+ 1545SOL    HW2 6208   0.279   2.772   1.441  0.3584  0.3540  0.7059
+ 1546SOL     OW 6209   7.057   0.965   2.774 -0.5138 -0.6713 -0.4015
+ 1546SOL    HW1 6210   7.121   0.915   2.723  1.8828  1.3739  0.4691
+ 1546SOL    HW2 6211   7.002   1.007   2.709 -0.5666 -1.9189 -1.1850
+ 1547SOL     OW 6212   7.848   2.207   1.280  0.3441 -0.1274  0.1432
+ 1547SOL    HW1 6213   7.885   2.214   1.367  0.1296  0.2337  0.2054
+ 1547SOL    HW2 6214   7.864   2.292   1.239  1.0182 -0.5096 -0.3974
+ 1548SOL     OW 6215   1.119   1.561   4.067  0.3229  0.4488  0.9363
+ 1548SOL    HW1 6216   1.186   1.624   4.093 -1.6508  2.3813  1.4596
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+ 1549SOL    HW1 6219   3.249   1.253   5.622 -0.9642  1.5200 -0.0347
+ 1549SOL    HW2 6220   3.269   1.302   5.480  1.9208 -0.0913 -0.2196
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+ 1550SOL    HW2 6223   6.881   3.673   2.036  2.0145 -0.1611 -1.3440
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+ 1551SOL    HW1 6225   1.145   1.654   2.579  0.2677  0.4353  1.4639
+ 1551SOL    HW2 6226   1.288   1.698   2.604  0.6799 -1.3179  2.2428
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+ 1552SOL    HW1 6228   2.581   1.963   4.260 -0.7378  0.6412 -0.4637
+ 1552SOL    HW2 6229   2.498   2.087   4.286 -0.3565  0.6413  0.8047
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+ 1553SOL    HW1 6231   0.314   4.182   2.820 -2.0754 -0.8944 -0.6657
+ 1553SOL    HW2 6232   0.370   4.296   2.737 -0.5687  0.3277  1.9547
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+ 1554SOL    HW1 6234   1.491   3.836   2.707 -0.4127  1.0415 -0.2392
+ 1554SOL    HW2 6235   1.639   3.855   2.685 -0.3581 -0.4411 -1.2704
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+ 1555SOL    HW1 6237   0.849   3.745   4.378 -0.6843 -0.6887 -1.4821
+ 1555SOL    HW2 6238   0.801   3.854   4.285 -0.3259  0.2810 -0.5320
+ 1556SOL     OW 6239   2.527   0.022   3.699  0.2469  0.1087  0.1131
+ 1556SOL    HW1 6240   2.472   0.082   3.750 -1.9913 -0.0970 -1.9986
+ 1556SOL    HW2 6241   2.574   0.079   3.638  0.0862 -0.0473 -0.1521
+ 1557SOL     OW 6242   0.514   1.255   2.025  0.1612 -0.5277 -0.4710
+ 1557SOL    HW1 6243   0.481   1.343   2.006 -0.4024 -0.6503 -0.0741
+ 1557SOL    HW2 6244   0.474   1.199   1.958  1.7547 -0.2408 -1.6899
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+ 1558SOL    HW1 6246   1.815   3.376   3.016  0.2018 -0.3003 -0.2196
+ 1558SOL    HW2 6247   1.808   3.378   3.167 -0.2210  0.0808 -0.2450
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+ 1559SOL    HW1 6249   7.274   2.298   5.261  0.6456  1.1840  0.5308
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+ 1560SOL    HW2 6253   0.165   3.255   3.910 -1.4193  0.0374  0.7428
+ 1561SOL     OW 6254   1.403   3.501   4.541 -0.0324  0.1849 -0.2462
+ 1561SOL    HW1 6255   1.317   3.536   4.565 -0.6778 -0.6134 -1.3454
+ 1561SOL    HW2 6256   1.396   3.407   4.558  0.5669  0.0962 -0.4800
+ 1562SOL     OW 6257   6.797   2.458   7.364 -0.1805  0.1703  0.3470
+ 1562SOL    HW1 6258   6.811   2.493   7.452 -2.1343 -0.4697  0.9349
+ 1562SOL    HW2 6259   6.864   2.501   7.310 -2.3619  4.7273  1.0256
+ 1563SOL     OW 6260   1.005   4.313   4.070  0.3548  0.1946 -0.2164
+ 1563SOL    HW1 6261   0.932   4.253   4.055 -2.1349  3.1310 -0.3076
+ 1563SOL    HW2 6262   1.047   4.280   4.149 -1.9517 -0.7157  0.6620
+ 1564SOL     OW 6263   7.904   4.206   2.283 -0.0443  0.0838  0.4965
+ 1564SOL    HW1 6264   7.823   4.177   2.242 -0.0259  0.6273  0.0674
+ 1564SOL    HW2 6265   7.879   4.227   2.373 -0.3843  0.2451  0.3664
+ 1565SOL     OW 6266   1.217   2.208   3.939  0.0656 -0.1362 -0.1418
+ 1565SOL    HW1 6267   1.275   2.133   3.926  0.6862  0.6083 -1.8063
+ 1565SOL    HW2 6268   1.143   2.190   3.880 -0.2793  0.0473  0.2401
+ 1566SOL     OW 6269   2.129   3.128   2.854  0.0337  0.3378  0.4292
+ 1566SOL    HW1 6270   2.150   3.178   2.933 -0.2769  0.8326  0.2039
+ 1566SOL    HW2 6271   2.139   3.037   2.880  0.3424  0.5097  0.9246
+ 1567SOL     OW 6272   5.849   3.899   3.431 -0.3448 -1.0947 -0.0409
+ 1567SOL    HW1 6273   5.903   3.899   3.351 -0.0302 -1.6455  0.1717
+ 1567SOL    HW2 6274   5.762   3.925   3.401 -0.3819 -1.9303 -0.6703
+ 1568SOL     OW 6275   1.459   2.986   4.653 -0.5588 -0.8396  0.7616
+ 1568SOL    HW1 6276   1.479   2.896   4.627 -1.4075 -1.1097  1.0112
+ 1568SOL    HW2 6277   1.389   2.976   4.718 -1.0068  0.0383  0.4071
+ 1569SOL     OW 6278   7.325   2.105   2.537 -0.1819  0.6653  0.3495
+ 1569SOL    HW1 6279   7.239   2.137   2.510  0.1620  0.6363 -0.7738
+ 1569SOL    HW2 6280   7.306   2.027   2.590 -0.8097  0.2451 -0.4909
+ 1570SOL     OW 6281   2.195   1.920   1.738 -0.2327 -0.0953  0.1514
+ 1570SOL    HW1 6282   2.191   1.917   1.834  0.4485  0.1436  0.1908
+ 1570SOL    HW2 6283   2.283   1.952   1.719 -0.3470 -0.1998 -0.5584
+ 1571SOL     OW 6284   7.430   4.865   3.971  0.2638 -0.1380 -0.0177
+ 1571SOL    HW1 6285   7.423   4.946   3.922 -0.2650 -1.1095 -1.5870
+ 1571SOL    HW2 6286   7.467   4.891   4.055 -0.5741  1.8139 -0.2260
+ 1572SOL     OW 6287   0.630   3.097   2.019  0.1182 -0.1817  0.2086
+ 1572SOL    HW1 6288   0.706   3.155   2.023  0.6516 -0.8168 -0.5896
+ 1572SOL    HW2 6289   0.554   3.155   2.020  0.5984  0.4427  1.4608
+ 1573SOL     OW 6290   7.736   4.069   4.412  0.3727  0.1368  0.7440
+ 1573SOL    HW1 6291   7.681   4.060   4.490  0.6969 -0.8145  0.8765
+ 1573SOL    HW2 6292   7.823   4.043   4.443  0.3642 -0.9118 -0.1068
+ 1574SOL     OW 6293   7.686   3.223   1.840  0.0093  0.1301 -0.2695
+ 1574SOL    HW1 6294   7.659   3.191   1.927 -0.1571  0.4769 -0.1923
+ 1574SOL    HW2 6295   7.648   3.160   1.779  0.0471 -0.0633 -0.0931
+ 1575SOL     OW 6296   7.355   4.743   2.646 -0.1690  0.8714  0.0866
+ 1575SOL    HW1 6297   7.366   4.752   2.551  1.6436 -0.6310  0.1167
+ 1575SOL    HW2 6298   7.408   4.813   2.684 -0.6933  1.3178 -0.0036
+ 1576SOL     OW 6299   1.985   3.156   3.640 -0.9452 -0.2093 -0.1245
+ 1576SOL    HW1 6300   1.943   3.164   3.725 -1.7843 -0.8571 -0.4791
+ 1576SOL    HW2 6301   1.914   3.135   3.579 -0.6704  2.1123 -1.3291
+ 1577SOL     OW 6302   1.629   7.862   1.694 -0.0552 -0.0504  0.2226
+ 1577SOL    HW1 6303   1.688   7.932   1.665 -1.8811  1.1442 -0.7542
+ 1577SOL    HW2 6304   1.612   7.881   1.786 -0.5911  0.8631 -0.0519
+ 1578SOL     OW 6305   2.589   3.819   4.495 -0.2237 -0.0872 -0.5061
+ 1578SOL    HW1 6306   2.568   3.912   4.499  1.8359  0.4537 -1.5995
+ 1578SOL    HW2 6307   2.534   3.785   4.424 -1.3993  0.1621  0.2735
+ 1579SOL     OW 6308   1.336   2.495   2.576 -0.3797 -0.1288  0.4850
+ 1579SOL    HW1 6309   1.257   2.533   2.538 -0.1619 -0.8250 -0.6762
+ 1579SOL    HW2 6310   1.372   2.440   2.507 -1.0789 -3.0543  2.3496
+ 1580SOL     OW 6311   7.960   4.013   3.014  0.0955 -0.1675 -0.0269
+ 1580SOL    HW1 6312   7.982   3.985   2.925 -0.2933 -0.3368 -0.0718
+ 1580SOL    HW2 6313   7.882   4.067   3.004 -0.9346 -1.5391  0.3822
+ 1581SOL     OW 6314   1.740   3.094   2.266  0.3857 -0.1763 -0.2416
+ 1581SOL    HW1 6315   1.750   3.058   2.178 -2.0731  0.6083 -0.8751
+ 1581SOL    HW2 6316   1.756   3.020   2.324 -0.4824 -1.3067 -1.4193
+ 1582SOL     OW 6317   0.496   1.505   1.339 -0.0737 -0.4060 -0.5556
+ 1582SOL    HW1 6318   0.549   1.431   1.312  0.0301 -0.5416  0.0222
+ 1582SOL    HW2 6319   0.503   1.507   1.434  1.6670  1.6399 -0.6825
+ 1583SOL     OW 6320   2.945   2.194   3.867  0.0596 -0.2527 -0.2910
+ 1583SOL    HW1 6321   2.978   2.182   3.957 -2.8215 -2.0365  0.5830
+ 1583SOL    HW2 6322   2.979   2.118   3.819  1.8263  0.8401 -0.8454
+ 1584SOL     OW 6323   0.547   4.724   4.334  0.1828  0.2359  0.5521
+ 1584SOL    HW1 6324   0.565   4.817   4.321 -0.9488  0.3770 -0.0152
+ 1584SOL    HW2 6325   0.575   4.682   4.253  1.9806 -0.1142  1.3223
+ 1585SOL     OW 6326   2.930   3.016   1.534 -0.5323  0.3054  0.5064
+ 1585SOL    HW1 6327   3.020   3.041   1.512  0.1713 -1.7591  0.9473
+ 1585SOL    HW2 6328   2.927   2.921   1.518 -2.3039  0.1598  1.5869
+ 1586SOL     OW 6329   2.483   2.770   1.992  0.4355  0.4425  0.3337
+ 1586SOL    HW1 6330   2.542   2.818   1.934 -0.0718  0.2594 -0.3483
+ 1586SOL    HW2 6331   2.523   2.776   2.079  2.0699 -0.6806 -0.3139
+ 1587SOL     OW 6332   0.463   1.626   2.505 -0.3363 -0.0971 -0.7917
+ 1587SOL    HW1 6333   0.550   1.622   2.465  0.7693 -0.2376  1.5195
+ 1587SOL    HW2 6334   0.428   1.538   2.494  0.7193 -0.6563  0.1315
+ 1588SOL     OW 6335   1.366   1.920   2.399 -0.1325  0.8892 -0.0845
+ 1588SOL    HW1 6336   1.285   1.951   2.357  0.0684  1.3244 -0.1592
+ 1588SOL    HW2 6337   1.429   1.914   2.327  0.3929  2.2458  0.2334
+ 1589SOL     OW 6338   1.357   1.514   1.367 -0.2331  0.1486  0.7241
+ 1589SOL    HW1 6339   1.436   1.561   1.394 -0.8031  0.5526  1.6986
+ 1589SOL    HW2 6340   1.316   1.486   1.449 -0.5502 -0.9803  0.1908
+ 1590SOL     OW 6341   6.821   3.715   2.308  0.1377  0.1940  0.0678
+ 1590SOL    HW1 6342   6.833   3.796   2.259 -0.6633 -1.2702 -2.6653
+ 1590SOL    HW2 6343   6.909   3.689   2.334  0.4887  1.4357  0.1617
+ 1591SOL     OW 6344   2.787   3.291   2.193  0.2787  0.2316  0.4155
+ 1591SOL    HW1 6345   2.840   3.283   2.272 -0.0137  0.5331  0.6413
+ 1591SOL    HW2 6346   2.839   3.248   2.125 -0.4309 -1.9576  1.2100
+ 1592SOL     OW 6347   1.608   1.308   3.363 -0.1864  0.3403 -0.2683
+ 1592SOL    HW1 6348   1.663   1.274   3.434 -2.9686 -0.1462  1.7396
+ 1592SOL    HW2 6349   1.642   1.396   3.347  2.4810 -0.7064 -0.5216
+ 1593SOL     OW 6350   7.568   3.884   2.500  0.6894  0.5071  0.6360
+ 1593SOL    HW1 6351   7.605   3.850   2.582 -2.4416  1.1520  2.3941
+ 1593SOL    HW2 6352   7.600   3.974   2.494  2.8640 -0.2787 -0.1378
+ 1594SOL     OW 6353   2.265   3.401   1.954 -0.2567  0.2154  0.0907
+ 1594SOL    HW1 6354   2.349   3.360   1.972  0.9267  2.7225  0.4432
+ 1594SOL    HW2 6355   2.268   3.422   1.861 -0.6014  0.1041  0.0515
+ 1595SOL     OW 6356   1.094   2.557   2.446  0.0976  0.6142 -0.0477
+ 1595SOL    HW1 6357   1.038   2.499   2.499  0.9907 -0.0411  0.1827
+ 1595SOL    HW2 6358   1.063   2.544   2.356 -0.9318  1.1717  0.2196
+ 1596SOL     OW 6359   1.337   2.808   3.885  0.0538  0.0426 -0.4601
+ 1596SOL    HW1 6360   1.371   2.897   3.877 -1.5351  0.6506 -0.4971
+ 1596SOL    HW2 6361   1.367   2.763   3.806  2.7022 -0.0996  0.5578
+ 1597SOL     OW 6362   1.096   0.471   1.686 -0.5949 -0.4127  0.2315
+ 1597SOL    HW1 6363   1.091   0.396   1.745 -0.2330  0.6047  1.5802
+ 1597SOL    HW2 6364   1.190   0.487   1.675 -0.6768  1.1326  1.6430
+ 1598SOL     OW 6365   6.167   3.867   2.977 -0.6617 -0.3478  0.0162
+ 1598SOL    HW1 6366   6.202   3.901   2.895 -2.0236 -2.6759 -1.6108
+ 1598SOL    HW2 6367   6.170   3.772   2.966 -0.8821 -0.6952  2.6783
+ 1599SOL     OW 6368   0.805   3.757   3.283 -0.0698 -0.2852 -0.1629
+ 1599SOL    HW1 6369   0.791   3.716   3.368  0.3548 -0.5451 -0.2153
+ 1599SOL    HW2 6370   0.872   3.823   3.299 -0.4039  0.0605 -0.1787
+ 1600SOL     OW 6371   2.225   2.296   3.430 -0.3372 -0.0978 -0.3901
+ 1600SOL    HW1 6372   2.192   2.210   3.457  0.1609  0.0649  0.8053
+ 1600SOL    HW2 6373   2.174   2.358   3.483  0.6934  0.2310  0.2240
+ 1601SOL     OW 6374   7.768   3.902   2.277 -0.0183 -0.0368  0.1213
+ 1601SOL    HW1 6375   7.863   3.903   2.291  0.3473 -3.1019 -1.7116
+ 1601SOL    HW2 6376   7.732   3.867   2.359  0.6052 -0.7760  0.0819
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+ 1602SOL    HW1 6378   6.054   3.464   3.394  0.5351 -0.5062  1.2441
+ 1602SOL    HW2 6379   6.182   3.450   3.314 -0.3834  2.0403 -0.7412
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+ 1603SOL    HW1 6381   0.687   3.517   3.996 -0.0178 -0.5615  1.0998
+ 1603SOL    HW2 6382   0.561   3.466   3.928  1.3579 -0.5666 -1.5233
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+ 1604SOL    HW1 6384   1.533   4.443   3.114 -1.0314 -1.3507  1.5522
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+ 1605SOL    HW1 6387   1.886   3.511   2.882 -1.3221 -1.3757  2.2601
+ 1605SOL    HW2 6388   1.948   3.630   2.952  1.0064  0.0142 -1.9732
+ 1606SOL     OW 6389   0.684   0.977   1.976 -0.0330  0.1625  0.2561
+ 1606SOL    HW1 6390   0.633   0.902   1.944 -0.3374  0.1913  0.6625
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+ 1607SOL     OW 6392   0.536   3.391   1.778 -0.0693  0.4642  0.2066
+ 1607SOL    HW1 6393   0.543   3.300   1.748  3.6366  1.3877 -2.1220
+ 1607SOL    HW2 6394   0.444   3.414   1.766 -0.8452 -2.6373 -0.1424
+ 1608SOL     OW 6395   0.140   3.171   1.748 -0.5809  0.5125 -0.0728
+ 1608SOL    HW1 6396   0.127   3.261   1.777  2.9398  0.6923  1.1891
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+ 1609SOL     OW 6398   2.550   4.870   3.019 -0.4697 -0.1375 -0.0680
+ 1609SOL    HW1 6399   2.532   4.955   2.978 -1.0560 -0.3478 -0.2433
+ 1609SOL    HW2 6400   2.590   4.818   2.950 -1.2502 -0.4166 -0.3091
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+ 1610SOL    HW1 6402   3.410   2.955   3.216  0.5845  0.0473  1.8912
+ 1610SOL    HW2 6403   3.358   2.958   3.358 -2.2834  2.1226  0.8248
+ 1611SOL     OW 6404   7.810   4.287   3.096 -0.2303 -0.0035 -0.0100
+ 1611SOL    HW1 6405   7.787   4.280   3.189 -1.1514 -0.0322 -0.2301
+ 1611SOL    HW2 6406   7.725   4.291   3.051  0.2116 -0.1726 -0.8624
+ 1612SOL     OW 6407   2.046   3.128   4.045  0.0407  0.1827 -0.0885
+ 1612SOL    HW1 6408   2.002   3.043   4.052 -0.1705  0.3087  0.1117
+ 1612SOL    HW2 6409   1.975   3.191   4.034  0.2061  0.3223 -0.3531
+ 1613SOL     OW 6410   2.143   1.049   3.984  0.3283  0.5472  0.2693
+ 1613SOL    HW1 6411   2.107   1.108   3.918  0.1938 -1.4751 -1.5291
+ 1613SOL    HW2 6412   2.068   1.025   4.038  0.0172  0.5284 -0.1662
+ 1614SOL     OW 6413   2.059   2.071   2.679 -0.0921  0.0024  0.1780
+ 1614SOL    HW1 6414   2.145   2.050   2.641  0.0055 -2.2896  1.6187
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+ 1617SOL    HW1 6423   0.103   1.316   3.002 -1.1124 -1.0518  2.2204
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+ 1619SOL    HW1 6429   2.212   2.656   4.143  0.1851 -0.6805 -0.3422
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+ 1620SOL     OW 6431   0.662   1.113   0.709  0.3284  0.5094 -0.5843
+ 1620SOL    HW1 6432   0.659   1.184   0.645 -0.5356  2.6825  1.8058
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+ 1622SOL    HW1 6438   7.902   1.601   4.316 -0.2536 -0.0233  0.0508
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+ 1628SOL    HW1 6456   0.495   1.667   2.693  0.7848  0.2430 -1.6433
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+ 1629SOL    HW1 6459   2.830   2.910   2.370  0.0288 -0.9330  0.7272
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+ 1631SOL    HW2 6466   0.092   0.076   3.175 -0.2833  1.5694  0.3983
+ 1632SOL     OW 6467   0.798   1.367   2.496 -0.0460  0.3370  0.3694
+ 1632SOL    HW1 6468   0.704   1.369   2.479  0.2955 -1.7332 -2.0013
+ 1632SOL    HW2 6469   0.818   1.455   2.530 -2.2708  1.9055 -2.1855
+ 1633SOL     OW 6470   0.578   4.609   5.037 -0.3286 -0.3643 -0.6811
+ 1633SOL    HW1 6471   0.631   4.563   4.972  0.4963  0.1166 -0.3530
+ 1633SOL    HW2 6472   0.536   4.539   5.087 -2.3166 -0.7562 -2.7881
+ 1634SOL     OW 6473   1.197   2.616   1.265  0.0596 -0.2639 -0.7036
+ 1634SOL    HW1 6474   1.156   2.697   1.234 -0.0782  0.2147  0.6927
+ 1634SOL    HW2 6475   1.125   2.560   1.292  0.0568 -1.5163 -3.1361
+ 1635SOL     OW 6476   7.190   1.567   2.427 -0.1658  0.8636 -0.4941
+ 1635SOL    HW1 6477   7.157   1.498   2.369 -2.1767 -0.0800  1.6931
+ 1635SOL    HW2 6478   7.280   1.539   2.447 -0.6468 -0.6415 -0.3514
+ 1636SOL     OW 6479   0.554   0.755   1.925 -0.4591 -0.1385 -0.0372
+ 1636SOL    HW1 6480   0.558   0.659   1.931 -1.6802 -0.1979  0.0083
+ 1636SOL    HW2 6481   0.482   0.772   1.864 -0.5914  0.7468  0.3566
+ 1637SOL     OW 6482   0.986   1.277   0.467  0.2623 -0.5202  0.2873
+ 1637SOL    HW1 6483   0.959   1.340   0.401 -1.4466 -0.7214  0.7794
+ 1637SOL    HW2 6484   0.928   1.293   0.542  0.8470 -1.6199  0.9938
+ 1638SOL     OW 6485   0.359   3.973   1.792 -0.0415  0.4298  0.0484
+ 1638SOL    HW1 6486   0.284   4.016   1.833  0.8629  1.0845  1.0611
+ 1638SOL    HW2 6487   0.406   4.044   1.747 -0.8374 -0.2304 -1.8453
+ 1639SOL     OW 6488   6.773   4.027   2.780 -0.1709 -0.4787 -0.3496
+ 1639SOL    HW1 6489   6.854   3.988   2.746  0.1192 -0.5824  0.4660
+ 1639SOL    HW2 6490   6.703   3.974   2.742  0.1643 -0.7445 -0.5974
+ 1640SOL     OW 6491   0.508   1.392   5.080  0.4527 -1.0212 -0.2099
+ 1640SOL    HW1 6492   0.521   1.351   5.166  0.9059  1.1681  0.8022
+ 1640SOL    HW2 6493   0.412   1.396   5.070  0.3742 -0.2378  0.7405
+ 1641SOL     OW 6494   0.838   2.947   4.815  0.5146 -0.2809  0.8835
+ 1641SOL    HW1 6495   0.786   3.028   4.811  2.0789  0.7579  0.7624
+ 1641SOL    HW2 6496   0.817   2.909   4.900  0.9929  1.1370  1.6551
+ 1642SOL     OW 6497   6.935   2.725   3.341  0.0937 -0.6433  0.2906
+ 1642SOL    HW1 6498   6.971   2.814   3.348 -0.9062 -0.2969  1.0496
+ 1642SOL    HW2 6499   6.951   2.686   3.426  0.2543 -1.0978  0.0534
+ 1643SOL     OW 6500   1.361   4.869   4.699  0.1595 -0.3587  0.5057
+ 1643SOL    HW1 6501   1.410   4.813   4.760  3.7521 -0.9270 -2.7356
+ 1643SOL    HW2 6502   1.313   4.807   4.643  0.7971 -0.0455 -0.3946
+ 1644SOL     OW 6503   0.640   1.515   4.052 -0.6354 -0.0064 -0.3400
+ 1644SOL    HW1 6504   0.598   1.587   4.005 -0.1383  0.5017 -0.0026
+ 1644SOL    HW2 6505   0.635   1.441   3.991  0.1349  0.6820 -1.2547
+ 1645SOL     OW 6506   2.132   0.765   4.863  0.2910 -0.2839  0.5187
+ 1645SOL    HW1 6507   2.090   0.679   4.860 -0.6439  0.1734  0.2489
+ 1645SOL    HW2 6508   2.145   0.788   4.771  1.9121 -0.7966  0.6185
+ 1646SOL     OW 6509   7.821   2.643   4.131 -0.4290  0.3327 -0.4849
+ 1646SOL    HW1 6510   7.754   2.575   4.130  0.4915 -0.6355  1.3337
+ 1646SOL    HW2 6511   7.788   2.710   4.190 -0.2838  0.3660 -0.4400
+ 1647SOL     OW 6512   0.278   2.719   6.623  0.5712 -0.4634 -0.3732
+ 1647SOL    HW1 6513   0.356   2.665   6.640 -1.6891 -3.1849  1.8090
+ 1647SOL    HW2 6514   0.265   2.768   6.704  0.3045  0.4178 -0.9417
+ 1648SOL     OW 6515   2.257   3.566   3.661  0.2222 -0.5120 -0.1237
+ 1648SOL    HW1 6516   2.237   3.622   3.735 -1.7198 -2.4099  0.8452
+ 1648SOL    HW2 6517   2.352   3.553   3.665  0.4054  1.0514  0.7993
+ 1649SOL     OW 6518   0.604   2.655   5.118  0.0472  0.4159 -0.1146
+ 1649SOL    HW1 6519   0.512   2.629   5.112 -0.0289  1.0044 -1.7600
+ 1649SOL    HW2 6520   0.640   2.600   5.188 -1.0121 -1.4177 -0.9853
+ 1650SOL     OW 6521   7.682   3.643   3.910 -0.1837  0.1995 -0.1358
+ 1650SOL    HW1 6522   7.764   3.683   3.882 -0.9771  1.9225 -0.0345
+ 1650SOL    HW2 6523   7.615   3.707   3.887 -1.4195 -0.8126  0.5922
+ 1651SOL     OW 6524   0.728   3.989   5.110  0.2103  0.1164 -0.2468
+ 1651SOL    HW1 6525   0.820   4.014   5.121  0.4112 -0.6387 -0.1881
+ 1651SOL    HW2 6526   0.700   4.035   5.031  0.7013  0.1668 -0.3921
+ 1652SOL     OW 6527   1.390   2.664   3.264 -0.2296  0.3230  0.7503
+ 1652SOL    HW1 6528   1.313   2.705   3.224 -0.1346 -3.1342 -3.4298
+ 1652SOL    HW2 6529   1.463   2.718   3.235 -0.3622 -1.0870 -2.4194
+ 1653SOL     OW 6530   2.253   1.943   6.593 -0.1047 -0.4536  0.7167
+ 1653SOL    HW1 6531   2.232   2.022   6.544 -1.8068 -0.9258  0.6734
+ 1653SOL    HW2 6532   2.256   1.971   6.685  1.8755  0.1736  0.4913
+ 1654SOL     OW 6533   0.327   3.901   5.453 -0.3148 -0.2215  0.3843
+ 1654SOL    HW1 6534   0.380   3.909   5.374 -0.6406 -1.6695 -0.0136
+ 1654SOL    HW2 6535   0.363   3.964   5.514  1.0421 -0.2931 -0.3321
+ 1655SOL     OW 6536   1.149   3.683   4.905  0.0573  0.7587 -0.2747
+ 1655SOL    HW1 6537   1.189   3.687   4.992  0.9069  0.4368 -0.6404
+ 1655SOL    HW2 6538   1.126   3.774   4.885  0.8581  0.9955 -0.1630
+ 1656SOL     OW 6539   6.852   3.864   5.517 -0.1320 -0.3279  0.0940
+ 1656SOL    HW1 6540   6.934   3.899   5.551  0.6083 -0.7556 -1.1744
+ 1656SOL    HW2 6541   6.786   3.887   5.582  0.7725  1.1603  0.4994
+ 1657SOL     OW 6542   1.692   4.759   6.530 -0.5304  0.3209  0.2854
+ 1657SOL    HW1 6543   1.758   4.753   6.461  0.9608  2.8413  1.4105
+ 1657SOL    HW2 6544   1.648   4.843   6.514 -2.3108 -0.5335  0.5696
+ 1658SOL     OW 6545   7.917   3.001   6.664  0.0780 -0.0299  0.1222
+ 1658SOL    HW1 6546   7.980   3.040   6.725 -0.2523  0.1769  0.3388
+ 1658SOL    HW2 6547   7.970   2.953   6.601  0.5754  1.7228 -0.8243
+ 1659SOL     OW 6548   1.755   2.676   3.870 -0.0789 -0.4140  0.2294
+ 1659SOL    HW1 6549   1.668   2.674   3.830  0.3752  0.9913 -0.9010
+ 1659SOL    HW2 6550   1.809   2.722   3.805  0.6957  1.9298  2.4426
+ 1660SOL     OW 6551   1.224   2.281   5.064  0.4879 -0.0515  0.1353
+ 1660SOL    HW1 6552   1.159   2.224   5.023 -0.7476  1.3829  0.0784
+ 1660SOL    HW2 6553   1.285   2.304   4.994 -0.2772  0.4916 -0.3513
+ 1661SOL     OW 6554   1.295   2.236   3.373  0.0592 -0.1797  0.4361
+ 1661SOL    HW1 6555   1.237   2.306   3.403  0.9153  0.9850 -0.5134
+ 1661SOL    HW2 6556   1.336   2.272   3.294 -0.2309 -2.1553 -0.6443
+ 1662SOL     OW 6557   2.263   2.509   2.829 -0.0100  0.3802 -0.2853
+ 1662SOL    HW1 6558   2.350   2.506   2.788  0.7955 -1.1247  1.4580
+ 1662SOL    HW2 6559   2.204   2.531   2.757  1.4472 -1.4904 -2.1434
+ 1663SOL     OW 6560   2.156   2.825   4.069 -0.8490  1.3142 -0.1074
+ 1663SOL    HW1 6561   2.186   2.848   4.157 -0.0593 -0.7214  0.1866
+ 1663SOL    HW2 6562   2.061   2.839   4.071 -1.0868 -0.3374  1.6264
+ 1664SOL     OW 6563   1.336   3.234   4.580 -0.4193 -0.4559  0.1034
+ 1664SOL    HW1 6564   1.378   3.148   4.575  2.3088  0.7120  1.4424
+ 1664SOL    HW2 6565   1.316   3.245   4.673 -0.3400  0.5293  0.0071
+ 1665SOL     OW 6566   6.722   3.533   4.145  0.6204  0.3395  0.2236
+ 1665SOL    HW1 6567   6.760   3.598   4.086  1.0460 -0.5066 -0.4528
+ 1665SOL    HW2 6568   6.698   3.460   4.088  1.7742 -0.8148  1.1798
+ 1666SOL     OW 6569   1.443   2.977   3.448 -0.5828  0.0198  0.1375
+ 1666SOL    HW1 6570   1.413   2.982   3.357 -1.9253 -0.6489  0.5268
+ 1666SOL    HW2 6571   1.410   3.058   3.488  1.1994  0.9885 -0.2918
+ 1667SOL     OW 6572   2.248   3.032   4.694 -0.1723 -0.0184  0.2758
+ 1667SOL    HW1 6573   2.312   3.008   4.761 -0.1061 -1.6167 -0.3378
+ 1667SOL    HW2 6574   2.283   3.112   4.654  1.2138 -0.6162  0.2664
+ 1668SOL     OW 6575   1.640   1.487   2.952  0.4553  0.0439  0.5391
+ 1668SOL    HW1 6576   1.668   1.563   3.003 -0.4906 -0.8315  2.3958
+ 1668SOL    HW2 6577   1.712   1.425   2.960 -0.2619 -0.6298  1.9855
+ 1669SOL     OW 6578   0.212   2.542   3.112 -0.3674  0.2954 -0.4655
+ 1669SOL    HW1 6579   0.129   2.497   3.126 -0.2900  0.6529  1.2034
+ 1669SOL    HW2 6580   0.274   2.498   3.171  0.4818  0.4326 -1.2400
+ 1670SOL     OW 6581   1.140   3.515   3.126 -0.0618 -0.3997  0.2318
+ 1670SOL    HW1 6582   1.223   3.467   3.131  1.5327  2.0836 -0.9208
+ 1670SOL    HW2 6583   1.102   3.506   3.213  1.6419 -1.2382  0.9189
+ 1671SOL     OW 6584   7.262   4.378   5.846 -0.2799 -0.2130  0.3554
+ 1671SOL    HW1 6585   7.271   4.462   5.801 -0.3423 -0.3947  0.0012
+ 1671SOL    HW2 6586   7.183   4.338   5.808 -0.7414 -0.0527  1.1335
+ 1672SOL     OW 6587   0.146   1.817   5.890 -0.6430  0.1300  0.1528
+ 1672SOL    HW1 6588   0.176   1.906   5.873  0.3841  0.3338  2.8303
+ 1672SOL    HW2 6589   0.053   1.825   5.908 -1.0174  0.3474 -1.7644
+ 1673SOL     OW 6590   1.147   3.269   4.353  0.1483  0.7519  0.1087
+ 1673SOL    HW1 6591   1.165   3.239   4.442 -1.0609 -0.4957 -0.0553
+ 1673SOL    HW2 6592   1.064   3.229   4.330 -0.0474  1.8769 -1.2283
+ 1674SOL     OW 6593   0.725   2.163   2.678  0.1344 -0.0562 -0.4845
+ 1674SOL    HW1 6594   0.713   2.250   2.716 -2.2765 -1.0749  1.2338
+ 1674SOL    HW2 6595   0.713   2.176   2.584 -2.0590  1.2067 -0.0718
+ 1675SOL     OW 6596   1.118   2.841   2.861 -0.1939  0.7804  0.0131
+ 1675SOL    HW1 6597   1.177   2.776   2.824  0.9372  0.1343  2.8144
+ 1675SOL    HW2 6598   1.046   2.846   2.799  1.6961 -0.0708 -2.3509
+ 1676SOL     OW 6599   2.208   3.753   5.020  0.0881  0.0825  0.4453
+ 1676SOL    HW1 6600   2.228   3.843   5.047  0.1064  0.6525 -1.3763
+ 1676SOL    HW2 6601   2.293   3.714   5.000  0.1696 -0.6872  2.2112
+ 1677SOL     OW 6602   1.894   3.472   3.516 -0.0506 -0.3973 -0.2271
+ 1677SOL    HW1 6603   1.881   3.554   3.468  0.8928 -1.1485 -1.8049
+ 1677SOL    HW2 6604   1.817   3.419   3.494 -1.0758  0.3634  1.4604
+ 1678SOL     OW 6605   3.929   0.661   6.200  0.6789  0.0088  0.7890
+ 1678SOL    HW1 6606   3.915   0.725   6.131  0.3433 -0.1408  0.7127
+ 1678SOL    HW2 6607   4.019   0.630   6.188  0.5106 -0.2664  0.2079
+ 1679SOL     OW 6608   1.099   2.166   4.184 -0.1005 -0.2597 -0.4577
+ 1679SOL    HW1 6609   1.154   2.189   4.109 -1.4222  0.6089 -1.1880
+ 1679SOL    HW2 6610   1.015   2.142   4.145 -0.9480  0.6451  0.7720
+ 1680SOL     OW 6611   0.314   4.856   6.314  0.2510  0.1477  0.7742
+ 1680SOL    HW1 6612   0.244   4.796   6.289  1.9435 -1.7642  0.4882
+ 1680SOL    HW2 6613   0.308   4.862   6.410 -0.4280  0.1583  0.7308
+ 1681SOL     OW 6614   1.002   2.373   3.650 -0.1417 -0.2171  0.1365
+ 1681SOL    HW1 6615   0.987   2.367   3.556  0.3262  0.8945 -0.0279
+ 1681SOL    HW2 6616   1.015   2.467   3.666  0.9356 -0.5174  1.1247
+ 1682SOL     OW 6617   1.903   2.647   2.855  0.2678 -1.0596  0.1536
+ 1682SOL    HW1 6618   1.904   2.557   2.888 -0.6471 -1.7803 -1.7078
+ 1682SOL    HW2 6619   1.822   2.653   2.805  0.0160  1.0127  0.7698
+ 1683SOL     OW 6620   0.913   2.512   4.976  0.4444 -0.6024  0.4307
+ 1683SOL    HW1 6621   0.963   2.511   4.895  0.8584 -2.9472  0.6767
+ 1683SOL    HW2 6622   0.848   2.443   4.965 -1.4954  1.1101  0.8951
+ 1684SOL     OW 6623   0.023   4.454   6.038  0.1577 -0.0578 -0.5869
+ 1684SOL    HW1 6624   0.113   4.428   6.060  0.0109  0.6732  0.9419
+ 1684SOL    HW2 6625   0.033   4.519   5.969  0.8746  0.7658  0.2726
+ 1685SOL     OW 6626   1.353   1.330   3.265 -0.4574 -0.3593 -0.1762
+ 1685SOL    HW1 6627   1.444   1.342   3.289 -1.4358  2.8326  2.3222
+ 1685SOL    HW2 6628   1.325   1.252   3.314 -0.0946  0.9862  2.2403
+ 1686SOL     OW 6629   3.104   2.831   5.559 -0.2853  0.0547  0.2296
+ 1686SOL    HW1 6630   3.074   2.798   5.474 -1.3364 -1.0217  1.0046
+ 1686SOL    HW2 6631   3.039   2.800   5.622 -0.1009  1.7345  1.3008
+ 1687SOL     OW 6632   2.122   3.765   5.342  0.1596  0.8671  0.6485
+ 1687SOL    HW1 6633   2.190   3.758   5.409  2.0881 -0.8495 -1.3816
+ 1687SOL    HW2 6634   2.170   3.763   5.259 -2.3284  0.2579 -0.8317
+ 1688SOL     OW 6635   0.379   2.003   5.260  0.8442 -0.2890  0.3384
+ 1688SOL    HW1 6636   0.402   2.006   5.167 -0.9201  2.6383 -0.0378
+ 1688SOL    HW2 6637   0.316   1.931   5.266 -0.6229  0.8392 -1.1298
+ 1689SOL     OW 6638   2.914   3.259   5.128 -0.3995 -0.7149  0.4607
+ 1689SOL    HW1 6639   2.894   3.333   5.072 -1.5035 -1.0207  0.4538
+ 1689SOL    HW2 6640   2.829   3.220   5.150  0.1734 -2.1919  0.1588
+ 1690SOL     OW 6641   6.999   4.591   4.745 -0.1979 -0.5536 -0.3834
+ 1690SOL    HW1 6642   7.022   4.671   4.792 -0.1471 -1.2835  0.8680
+ 1690SOL    HW2 6643   7.082   4.558   4.711 -0.2028 -0.1400 -0.7937
+ 1691SOL     OW 6644   1.797   3.728   3.465  0.5862  0.1059 -0.4266
+ 1691SOL    HW1 6645   1.848   3.795   3.511  0.4543 -0.1706  0.1240
+ 1691SOL    HW2 6646   1.770   3.771   3.383  0.6835  0.6531 -0.1762
+ 1692SOL     OW 6647   2.942   3.926   5.440 -0.0931 -0.2858 -0.7248
+ 1692SOL    HW1 6648   2.993   3.862   5.391 -0.6894  0.4676 -2.3771
+ 1692SOL    HW2 6649   3.005   3.968   5.499  0.7040 -0.9648 -1.0938
+ 1693SOL     OW 6650   7.432   2.127   4.371 -0.6893 -0.0924  0.2930
+ 1693SOL    HW1 6651   7.495   2.123   4.299  0.7075  0.4117  1.4511
+ 1693SOL    HW2 6652   7.348   2.105   4.331  0.3346 -1.5023 -1.1597
+ 1694SOL     OW 6653   2.354   4.061   3.657 -0.7820  0.1619  0.4033
+ 1694SOL    HW1 6654   2.268   4.044   3.619 -1.8148  2.8890  1.4144
+ 1694SOL    HW2 6655   2.341   4.136   3.715  2.2424  0.5256  0.7108
+ 1695SOL     OW 6656   0.749   1.996   6.763 -0.3183  0.0804 -0.1689
+ 1695SOL    HW1 6657   0.845   2.003   6.761 -0.3312  0.2143 -0.2992
+ 1695SOL    HW2 6658   0.719   2.079   6.799 -0.3884  0.0519 -0.1607
+ 1696SOL     OW 6659   1.265   3.229   4.031  0.1511 -0.5955  0.5622
+ 1696SOL    HW1 6660   1.263   3.207   4.124 -1.3286  1.1294  0.9492
+ 1696SOL    HW2 6661   1.174   3.239   4.006  0.6449  1.8076 -0.3778
+ 1697SOL     OW 6662   7.557   4.347   3.418  0.1601 -0.1208  0.4409
+ 1697SOL    HW1 6663   7.497   4.295   3.365 -1.6815  2.1609  0.2233
+ 1697SOL    HW2 6664   7.561   4.432   3.374  1.9615  0.4275  1.5895
+ 1698SOL     OW 6665   1.459   2.189   3.066 -0.6839  0.0406  0.3162
+ 1698SOL    HW1 6666   1.402   2.256   3.104  0.9687  1.8161 -0.2642
+ 1698SOL    HW2 6667   1.495   2.229   2.987  2.2006 -0.5927  1.2226
+ 1699SOL     OW 6668   0.791   4.147   4.004  0.2556 -0.2660 -0.3334
+ 1699SOL    HW1 6669   0.708   4.161   3.958  0.5707 -0.3061 -0.9255
+ 1699SOL    HW2 6670   0.771   4.084   4.073 -0.6191  1.1295  0.7265
+ 1700SOL     OW 6671   0.402   0.697   5.762  0.1576  0.2321 -0.2106
+ 1700SOL    HW1 6672   0.491   0.681   5.792 -0.0437 -1.5113 -0.4952
+ 1700SOL    HW2 6673   0.412   0.738   5.676  0.6940 -2.9439 -1.7125
+ 1701SOL     OW 6674   7.555   3.489   5.024  0.4144 -0.4202  0.1699
+ 1701SOL    HW1 6675   7.536   3.396   5.036  0.9367 -0.4593  0.7787
+ 1701SOL    HW2 6676   7.547   3.504   4.930 -1.5638 -0.6456  0.2849
+ 1702SOL     OW 6677   0.494   2.962   5.399 -0.1193  0.1275  0.3476
+ 1702SOL    HW1 6678   0.432   2.889   5.394  0.8940 -0.8986  2.4787
+ 1702SOL    HW2 6679   0.576   2.922   5.426  1.0785  1.7339 -0.8106
+ 1703SOL     OW 6680   0.232   3.525   5.041 -0.1055  0.0169 -0.4822
+ 1703SOL    HW1 6681   0.193   3.443   5.070  1.3071  0.0694  1.7078
+ 1703SOL    HW2 6682   0.251   3.512   4.948  0.4386 -2.2630 -0.0724
+ 1704SOL     OW 6683   2.010   1.848   5.243  0.1453 -0.3951  0.0160
+ 1704SOL    HW1 6684   2.025   1.768   5.293 -2.4880 -1.7347 -1.2590
+ 1704SOL    HW2 6685   1.939   1.893   5.291 -0.4534 -0.3123 -0.9321
+ 1705SOL     OW 6686   0.804   3.636   3.955 -0.0714 -0.5881 -0.0959
+ 1705SOL    HW1 6687   0.883   3.582   3.953 -0.7704 -1.6241  0.1046
+ 1705SOL    HW2 6688   0.803   3.680   3.870  0.3286 -1.1367 -0.3887
+ 1706SOL     OW 6689   0.684   2.579   4.052  0.3867 -0.3524 -0.4401
+ 1706SOL    HW1 6690   0.691   2.571   4.147  0.9348 -0.1849 -0.4636
+ 1706SOL    HW2 6691   0.647   2.495   4.024 -1.8030  0.4143  0.1198
+ 1707SOL     OW 6692   0.724   4.445   4.903  0.4742  0.4186  0.4986
+ 1707SOL    HW1 6693   0.790   4.403   4.957  0.3099 -1.6181 -0.8325
+ 1707SOL    HW2 6694   0.766   4.457   4.818 -0.7247 -0.5515 -0.2529
+ 1708SOL     OW 6695   1.568   4.073   4.268 -0.1540 -0.6005  0.3729
+ 1708SOL    HW1 6696   1.561   3.982   4.240  0.1769 -0.2528 -0.9051
+ 1708SOL    HW2 6697   1.624   4.071   4.346 -0.4576 -1.5222  0.5662
+ 1709SOL     OW 6698   6.988   1.418   5.954 -0.3259 -0.0524  0.1565
+ 1709SOL    HW1 6699   6.998   1.465   6.037 -0.2245 -1.3570  0.8893
+ 1709SOL    HW2 6700   7.059   1.354   5.954  0.6865  1.0124 -1.6936
+ 1710SOL     OW 6701   0.350   2.579   3.516  0.1171  0.4193 -0.0294
+ 1710SOL    HW1 6702   0.377   2.608   3.603 -1.1326  0.2120  0.4290
+ 1710SOL    HW2 6703   0.266   2.535   3.529 -0.2798  0.7278 -1.3898
+ 1711SOL     OW 6704   2.414   2.279   1.550 -0.4523  0.0639 -0.6563
+ 1711SOL    HW1 6705   2.396   2.263   1.643  0.0372 -0.6041 -0.6749
+ 1711SOL    HW2 6706   2.332   2.261   1.505 -0.0705 -1.8549 -0.6128
+ 1712SOL     OW 6707   0.881   2.059   5.988  0.3270  0.6347  0.6686
+ 1712SOL    HW1 6708   0.966   2.017   6.001  0.2827  0.8927  1.8223
+ 1712SOL    HW2 6709   0.837   2.003   5.924  1.0940  0.1226  0.5738
+ 1713SOL     OW 6710   1.339   1.788   3.058 -0.4892  0.4509 -0.1067
+ 1713SOL    HW1 6711   1.306   1.724   2.995  1.8256 -1.1128  0.2141
+ 1713SOL    HW2 6712   1.341   1.871   3.009 -1.8112 -0.0577 -1.0629
+ 1714SOL     OW 6713   2.550   4.757   6.327  0.2533 -0.2363  0.0305
+ 1714SOL    HW1 6714   2.481   4.811   6.287  1.7594  1.5424 -0.1957
+ 1714SOL    HW2 6715   2.592   4.714   6.252  2.0489  1.8859 -0.2439
+ 1715SOL     OW 6716   0.602   4.319   3.649  0.1228  0.2585 -0.2557
+ 1715SOL    HW1 6717   0.624   4.401   3.606 -0.1270 -0.0330 -0.9529
+ 1715SOL    HW2 6718   0.542   4.276   3.589  0.3264 -0.4756  0.0565
+ 1716SOL     OW 6719   0.655   2.464   2.766  0.3232  0.1934 -0.1715
+ 1716SOL    HW1 6720   0.598   2.420   2.829 -1.9611 -3.8293 -4.7433
+ 1716SOL    HW2 6721   0.596   2.515   2.710  1.8803  0.8093 -1.3291
+ 1717SOL     OW 6722   1.523   3.777   4.633  0.1121 -0.0527  0.3241
+ 1717SOL    HW1 6723   1.474   3.735   4.562 -1.0109  0.6200  0.6895
+ 1717SOL    HW2 6724   1.614   3.777   4.602 -0.2315 -0.5566 -0.7305
+ 1718SOL     OW 6725   2.422   1.502   3.900  0.5352 -0.1674 -0.3101
+ 1718SOL    HW1 6726   2.445   1.458   3.982  3.8071 -0.8711 -1.5230
+ 1718SOL    HW2 6727   2.453   1.443   3.831 -1.0201  0.9926 -2.0613
+ 1719SOL     OW 6728   1.086   1.573   5.265 -0.2563 -0.2242  0.1247
+ 1719SOL    HW1 6729   1.153   1.537   5.207 -1.6497 -2.7288  0.0077
+ 1719SOL    HW2 6730   1.090   1.518   5.343 -2.4340 -0.6800 -0.0574
+ 1720SOL     OW 6731   7.652   2.365   5.005  0.0061 -0.2247  0.5286
+ 1720SOL    HW1 6732   7.593   2.384   4.932 -2.0643 -1.4482  1.8390
+ 1720SOL    HW2 6733   7.614   2.412   5.079  2.1414  1.0824  0.8209
+ 1721SOL     OW 6734   0.845   3.293   5.450  0.3514 -0.6414 -0.4911
+ 1721SOL    HW1 6735   0.804   3.267   5.367  2.3564 -1.6970 -1.1799
+ 1721SOL    HW2 6736   0.816   3.227   5.513 -0.6499 -0.2107 -0.4999
+ 1722SOL     OW 6737   1.611   0.604   5.205 -0.1608 -0.0386 -0.3522
+ 1722SOL    HW1 6738   1.525   0.612   5.247  0.4241  3.0915  0.3544
+ 1722SOL    HW2 6739   1.602   0.653   5.123  0.9920  0.4900 -0.1726
+ 1723SOL     OW 6740   1.628   3.813   3.877 -0.3614 -0.1821  0.1186
+ 1723SOL    HW1 6741   1.604   3.751   3.808 -0.3277 -2.3704  2.0080
+ 1723SOL    HW2 6742   1.574   3.890   3.860  1.0148  0.0721 -3.4374
+ 1724SOL     OW 6743   7.947   2.309   3.036  0.0799  0.0992  0.5187
+ 1724SOL    HW1 6744   7.890   2.379   3.002  0.5816  0.7052  0.9180
+ 1724SOL    HW2 6745   7.893   2.263   3.100 -0.5155 -0.3755 -0.3127
+ 1725SOL     OW 6746   2.624   1.558   5.671  0.1649 -0.1176 -0.5303
+ 1725SOL    HW1 6747   2.717   1.582   5.670 -0.5697  2.9165 -0.1799
+ 1725SOL    HW2 6748   2.578   1.641   5.662 -2.5409 -1.5008  0.1626
+ 1726SOL     OW 6749   0.438   4.092   5.590 -0.4401  0.1679 -0.0411
+ 1726SOL    HW1 6750   0.385   4.169   5.611  0.7789  0.8682  0.5159
+ 1726SOL    HW2 6751   0.515   4.128   5.545  0.6136 -0.6198  1.1012
+ 1727SOL     OW 6752   2.280   4.499   5.513  0.1677 -0.5592  0.2768
+ 1727SOL    HW1 6753   2.248   4.410   5.500 -0.7869  0.0163 -1.5153
+ 1727SOL    HW2 6754   2.213   4.554   5.471  0.2797  1.0499  2.1642
+ 1728SOL     OW 6755   4.365   1.034   5.189 -0.0548 -0.4728  0.1405
+ 1728SOL    HW1 6756   4.351   0.985   5.270  0.6878  0.0736  0.6046
+ 1728SOL    HW2 6757   4.319   1.117   5.203  1.2378  0.1923  0.5721
+ 1729SOL     OW 6758   0.644   3.168   4.804 -0.5385 -0.0893 -0.0203
+ 1729SOL    HW1 6759   0.565   3.115   4.813 -1.2046  0.6176 -1.4421
+ 1729SOL    HW2 6760   0.649   3.218   4.885 -1.6234 -0.0443  0.0300
+ 1730SOL     OW 6761   1.741   2.404   5.568 -0.1092  0.0092  0.0014
+ 1730SOL    HW1 6762   1.789   2.454   5.502 -0.8813  0.5598 -0.1579
+ 1730SOL    HW2 6763   1.757   2.451   5.649 -0.9992  0.6526 -0.1813
+ 1731SOL     OW 6764   7.807   3.623   5.857 -0.2057  0.9713  0.1144
+ 1731SOL    HW1 6765   7.829   3.715   5.848  0.6943  0.7393 -0.1219
+ 1731SOL    HW2 6766   7.739   3.621   5.925 -2.0070  2.0347 -1.5887
+ 1732SOL     OW 6767   2.052   2.019   4.745  0.3705 -0.1943 -0.1835
+ 1732SOL    HW1 6768   2.083   2.102   4.709 -2.5044  0.5013 -1.1769
+ 1732SOL    HW2 6769   1.984   1.991   4.685 -0.3068 -2.1101  1.4319
+ 1733SOL     OW 6770   1.228   2.432   6.992  0.5904 -0.1450 -0.3786
+ 1733SOL    HW1 6771   1.308   2.470   7.030 -0.2421  0.2013  1.0676
+ 1733SOL    HW2 6772   1.204   2.361   7.053 -0.4475  0.0349 -0.5697
+ 1734SOL     OW 6773   2.127   3.833   5.846  0.0491 -0.0625  0.0867
+ 1734SOL    HW1 6774   2.069   3.758   5.858  0.7185 -0.4439  0.9592
+ 1734SOL    HW2 6775   2.108   3.890   5.921 -0.9245  0.9668 -0.9029
+ 1735SOL     OW 6776   0.554   2.932   5.895 -0.1155 -0.0629  0.4390
+ 1735SOL    HW1 6777   0.472   2.929   5.847  0.6103 -1.1934 -0.7904
+ 1735SOL    HW2 6778   0.606   2.999   5.850  0.3241 -0.6692  0.0339
+ 1736SOL     OW 6779   0.695   3.012   4.507 -0.2081 -0.5184  0.2079
+ 1736SOL    HW1 6780   0.775   3.059   4.531 -0.8880  0.6992  0.1090
+ 1736SOL    HW2 6781   0.634   3.080   4.480 -1.0863 -1.4900 -0.2923
+ 1737SOL     OW 6782   7.940   4.090   3.324  0.2035 -0.4632  0.0812
+ 1737SOL    HW1 6783   7.986   4.140   3.256 -0.2651 -0.6973 -0.4132
+ 1737SOL    HW2 6784   7.984   4.115   3.405 -0.7613  1.6732  0.0001
+ 1738SOL     OW 6785   1.472   3.305   5.511 -0.2058  0.4916  0.5671
+ 1738SOL    HW1 6786   1.452   3.296   5.418  0.7857 -1.3049  0.5011
+ 1738SOL    HW2 6787   1.557   3.349   5.513 -0.2834  0.6391  0.6311
+ 1739SOL     OW 6788   3.210   1.337   5.799 -0.3303  0.2925  0.6070
+ 1739SOL    HW1 6789   3.140   1.399   5.777  0.0454  1.4292  2.5691
+ 1739SOL    HW2 6790   3.281   1.391   5.833  0.6334 -1.0763  0.8169
+ 1740SOL     OW 6791   0.367   4.620   5.347 -0.4120  0.2405  0.4273
+ 1740SOL    HW1 6792   0.305   4.560   5.390 -2.1852  1.2268 -0.7000
+ 1740SOL    HW2 6793   0.390   4.683   5.414  1.1341 -1.4103  1.5059
+ 1741SOL     OW 6794   7.524   4.387   3.820 -0.1373  0.3652 -0.1997
+ 1741SOL    HW1 6795   7.480   4.450   3.877 -0.2268  0.5217 -0.4416
+ 1741SOL    HW2 6796   7.569   4.441   3.755 -0.0366  0.1865 -0.2797
+ 1742SOL     OW 6797   0.179   3.590   4.320  0.2926  0.5372  0.0217
+ 1742SOL    HW1 6798   0.136   3.513   4.282  0.6815 -0.8431  2.3309
+ 1742SOL    HW2 6799   0.258   3.600   4.267 -0.8304  0.6618 -1.6692
+ 1743SOL     OW 6800   0.648   1.797   1.528 -0.1355 -0.7675  0.2311
+ 1743SOL    HW1 6801   0.642   1.702   1.539 -2.4969 -0.5598  0.9605
+ 1743SOL    HW2 6802   0.578   1.818   1.466  1.9363  0.2340 -1.8750
+ 1744SOL     OW 6803   1.925   4.990   4.406 -0.4467 -0.1164  0.3149
+ 1744SOL    HW1 6804   1.927   5.017   4.314  0.4507  1.0257  0.6533
+ 1744SOL    HW2 6805   1.888   4.901   4.405 -2.2032  0.6124 -0.9554
+ 1745SOL     OW 6806   0.522   3.275   3.394 -0.0061  0.1726 -0.3674
+ 1745SOL    HW1 6807   0.532   3.358   3.348  1.2168  1.1893  1.6487
+ 1745SOL    HW2 6808   0.592   3.220   3.359  0.3768  0.6457 -0.3491
+ 1746SOL     OW 6809   7.656   4.066   3.292  0.1245  0.2319 -0.2210
+ 1746SOL    HW1 6810   7.751   4.072   3.304  0.1030  2.0812 -0.8653
+ 1746SOL    HW2 6811   7.644   4.059   3.197 -0.4037  0.6361 -0.1869
+ 1747SOL     OW 6812   1.254   1.424   6.815  0.3417  0.1121  0.1388
+ 1747SOL    HW1 6813   1.287   1.467   6.737 -0.0677 -0.5062 -0.3797
+ 1747SOL    HW2 6814   1.322   1.437   6.881 -0.2425  2.5058  0.3284
+ 1748SOL     OW 6815   1.109   3.503   4.225 -0.6086 -0.1795 -0.1787
+ 1748SOL    HW1 6816   1.123   3.493   4.131 -0.8406 -0.3319 -0.1979
+ 1748SOL    HW2 6817   1.135   3.419   4.262  2.7489  0.9563  0.2776
+ 1749SOL     OW 6818   7.711   1.847   7.599 -0.0994 -0.1546 -0.0736
+ 1749SOL    HW1 6819   7.759   1.853   7.682  0.5113  2.3058 -0.5622
+ 1749SOL    HW2 6820   7.665   1.763   7.603 -0.5779  0.2116  3.0214
+ 1750SOL     OW 6821   2.267   1.775   4.817 -0.0445  0.5238 -0.2283
+ 1750SOL    HW1 6822   2.214   1.804   4.743 -0.4738 -0.6159 -0.3771
+ 1750SOL    HW2 6823   2.258   1.679   4.818  0.9723  0.4181  0.5248
+ 1751SOL     OW 6824   0.004   4.629   4.678 -0.4244 -0.2537 -0.1735
+ 1751SOL    HW1 6825  -0.045   4.585   4.747  1.2529 -1.3140  0.3687
+ 1751SOL    HW2 6826   0.085   4.657   4.720  0.3106 -0.2766 -1.5479
+ 1752SOL     OW 6827   7.880   5.348   3.565  0.3521  0.0263 -0.1933
+ 1752SOL    HW1 6828   7.905   5.386   3.649 -1.0283  1.8754 -0.5914
+ 1752SOL    HW2 6829   7.939   5.388   3.502  1.6661 -1.6735 -0.0903
+ 1753SOL     OW 6830   2.200   3.068   2.507 -0.0356 -0.0511 -0.2461
+ 1753SOL    HW1 6831   2.288   3.057   2.545  0.2539  0.7817 -0.6467
+ 1753SOL    HW2 6832   2.199   3.159   2.477 -0.7863 -0.2744 -0.8976
+ 1754SOL     OW 6833   0.143   3.293   4.346 -0.0761  0.0664  0.3711
+ 1754SOL    HW1 6834   0.092   3.291   4.426  1.0236  0.1717  1.0877
+ 1754SOL    HW2 6835   0.095   3.237   4.285 -0.9622  0.0547  1.0691
+ 1755SOL     OW 6836   0.021   1.939   4.041 -0.0672 -0.2337  0.0838
+ 1755SOL    HW1 6837   0.094   1.909   3.987 -0.6977  0.4822 -1.2015
+ 1755SOL    HW2 6838   0.061   1.992   4.109  0.8093 -1.7362  0.7482
+ 1756SOL     OW 6839   1.627   1.970   3.171 -0.1330  0.7407  0.3053
+ 1756SOL    HW1 6840   1.573   2.047   3.152 -1.1950  0.0515  0.4488
+ 1756SOL    HW2 6841   1.597   1.941   3.257 -0.0072 -0.0469  0.0879
+ 1757SOL     OW 6842   7.526   3.831   4.604  0.2870  0.5620 -0.4151
+ 1757SOL    HW1 6843   7.606   3.794   4.567  0.4862 -0.2586  0.8044
+ 1757SOL    HW2 6844   7.473   3.854   4.528  0.9489 -0.5163 -1.2167
+ 1758SOL     OW 6845   0.812   3.037   3.977 -0.2521  0.2210  0.5985
+ 1758SOL    HW1 6846   0.731   2.987   3.981 -0.5342  0.3244 -2.4415
+ 1758SOL    HW2 6847   0.881   2.971   3.972 -0.0440  0.1242  3.8890
+ 1759SOL     OW 6848   2.741   3.128   4.361 -0.3522  0.2639 -0.4113
+ 1759SOL    HW1 6849   2.733   3.203   4.303  2.9595  2.3186  1.6025
+ 1759SOL    HW2 6850   2.737   3.165   4.449  2.4997 -1.6945  0.6215
+ 1760SOL     OW 6851   1.419   4.002   4.765 -0.6177 -0.4568  0.0619
+ 1760SOL    HW1 6852   1.469   3.929   4.727 -0.2110 -0.3693  0.4320
+ 1760SOL    HW2 6853   1.485   4.063   4.797 -0.9596  0.3864 -0.8281
+ 1761SOL     OW 6854   1.480   5.202   5.024 -0.5030  0.2546  0.2727
+ 1761SOL    HW1 6855   1.386   5.183   5.022 -0.9045  2.2203  0.3144
+ 1761SOL    HW2 6856   1.488   5.280   5.078  1.3913 -1.1328  2.0726
+ 1762SOL     OW 6857   1.658   1.892   5.075  0.0116 -0.0612 -0.3523
+ 1762SOL    HW1 6858   1.727   1.903   5.009 -0.7046  2.2097 -0.7622
+ 1762SOL    HW2 6859   1.696   1.929   5.155 -0.4060  0.3481 -0.3471
+ 1763SOL     OW 6860   7.295   3.361   5.205 -0.0523  0.2426 -0.6754
+ 1763SOL    HW1 6861   7.315   3.330   5.293  0.3876  0.1035 -0.8273
+ 1763SOL    HW2 6862   7.362   3.322   5.149 -0.5435  0.0360 -1.1284
+ 1764SOL     OW 6863   2.018   3.994   3.212  0.3996 -0.2267 -0.3326
+ 1764SOL    HW1 6864   1.999   3.902   3.227  0.6611  0.0366  1.7307
+ 1764SOL    HW2 6865   1.933   4.038   3.219  0.3251 -0.2565 -0.9892
+ 1765SOL     OW 6866   2.865   1.303   4.834  0.5572  0.1002 -0.5631
+ 1765SOL    HW1 6867   2.921   1.364   4.787  0.1711  0.5746 -0.4129
+ 1765SOL    HW2 6868   2.776   1.328   4.809  0.2201  1.9345  2.2799
+ 1766SOL     OW 6869   0.258   3.176   3.392  0.0022 -1.0624  0.0495
+ 1766SOL    HW1 6870   0.349   3.197   3.413  0.1779 -0.2700 -1.4710
+ 1766SOL    HW2 6871   0.253   3.181   3.296 -1.6183 -1.1915  0.1097
+ 1767SOL     OW 6872   7.398   3.538   4.502 -0.2048 -0.0300  0.4892
+ 1767SOL    HW1 6873   7.428   3.478   4.433  1.0172 -0.5529  1.4492
+ 1767SOL    HW2 6874   7.307   3.557   4.479 -0.7221 -2.4833  0.3130
+ 1768SOL     OW 6875   0.124   2.883   2.614  0.0503 -0.2773  0.3325
+ 1768SOL    HW1 6876   0.187   2.954   2.608  0.2048 -0.4363  0.0148
+ 1768SOL    HW2 6877   0.087   2.877   2.525 -1.3642  0.6837  0.8362
+ 1769SOL     OW 6878   2.331   2.015   4.562  0.6007 -0.1145 -0.1758
+ 1769SOL    HW1 6879   2.308   2.096   4.606  1.6377  0.8335 -1.3461
+ 1769SOL    HW2 6880   2.340   2.039   4.469  2.0380 -1.3113 -0.3731
+ 1770SOL     OW 6881   1.773   0.842   6.101  0.5371 -0.2669 -0.2554
+ 1770SOL    HW1 6882   1.859   0.834   6.060  0.6743  2.0538 -0.4927
+ 1770SOL    HW2 6883   1.714   0.794   6.043  1.0597  1.3246 -2.1725
+ 1771SOL     OW 6884   7.432   1.998   3.306 -0.6599  0.0334 -0.1408
+ 1771SOL    HW1 6885   7.400   2.067   3.364 -0.9555  0.6977 -1.0831
+ 1771SOL    HW2 6886   7.353   1.963   3.265 -0.3542  0.3410 -1.0012
+ 1772SOL     OW 6887   0.468   4.472   3.239 -0.2911  0.8171 -0.0237
+ 1772SOL    HW1 6888   0.532   4.432   3.298 -0.6937  0.6807  0.3216
+ 1772SOL    HW2 6889   0.423   4.537   3.293 -2.0613 -0.7205  0.3895
+ 1773SOL     OW 6890   0.113   2.521   4.885  0.0678 -0.2327  0.4731
+ 1773SOL    HW1 6891   0.020   2.498   4.891 -0.0623  0.0401 -0.4342
+ 1773SOL    HW2 6892   0.141   2.534   4.976 -0.9727  0.4488  0.6981
+ 1774SOL     OW 6893   1.582   3.679   5.460  0.5521 -0.4068 -0.2135
+ 1774SOL    HW1 6894   1.655   3.645   5.511 -0.4130 -2.8861 -0.3948
+ 1774SOL    HW2 6895   1.592   3.639   5.373 -0.7609 -0.4768 -0.3558
+ 1775SOL     OW 6896   0.482   2.960   4.779 -0.0760 -0.0154 -0.2181
+ 1775SOL    HW1 6897   0.492   2.942   4.872 -0.3994 -0.8740 -0.3514
+ 1775SOL    HW2 6898   0.529   2.890   4.735  2.4765  1.9164 -0.6802
+ 1776SOL     OW 6899   1.677   1.979   6.035  0.0882  0.2566  0.4168
+ 1776SOL    HW1 6900   1.721   2.044   5.980  0.4716  0.1522  0.5999
+ 1776SOL    HW2 6901   1.746   1.944   6.092  0.0217 -0.7533 -0.1003
+ 1777SOL     OW 6902   1.565   4.459   4.948 -0.0282 -0.4007  0.4104
+ 1777SOL    HW1 6903   1.482   4.437   4.905  0.5983 -0.3978 -0.8021
+ 1777SOL    HW2 6904   1.539   4.482   5.037 -1.5750  1.3523 -0.4386
+ 1778SOL     OW 6905   6.645   4.719   3.587 -0.3042 -0.2206 -0.3162
+ 1778SOL    HW1 6906   6.578   4.685   3.647 -0.1924 -0.2621 -0.2154
+ 1778SOL    HW2 6907   6.617   4.688   3.501 -0.9703  0.6243 -0.4039
+ 1779SOL     OW 6908   0.811   1.650   4.759  0.3074 -0.4243 -0.0683
+ 1779SOL    HW1 6909   0.790   1.741   4.740  2.6867 -0.0697 -1.1087
+ 1779SOL    HW2 6910   0.777   1.602   4.684 -0.5177 -0.3761  0.2580
+ 1780SOL     OW 6911   1.203   2.855   6.194  0.0235  0.6525 -0.1682
+ 1780SOL    HW1 6912   1.245   2.769   6.197 -1.4718 -0.1099 -0.3187
+ 1780SOL    HW2 6913   1.149   2.858   6.273  0.3130  1.5902  0.0005
+ 1781SOL     OW 6914   0.065   1.360   3.919 -0.3438 -0.1640  0.5143
+ 1781SOL    HW1 6915   0.136   1.378   3.981  0.1463  0.9239 -0.3427
+ 1781SOL    HW2 6916   0.075   1.427   3.851 -1.7714 -0.4344  0.0194
+ 1782SOL     OW 6917   7.552   5.027   5.239 -0.0800  0.0218  0.2403
+ 1782SOL    HW1 6918   7.576   5.116   5.266 -1.3061  0.4890 -0.1550
+ 1782SOL    HW2 6919   7.475   5.006   5.293 -0.2275 -0.5229 -0.1812
+ 1783SOL     OW 6920   6.955   1.123   3.846  0.0046  0.2400  0.4628
+ 1783SOL    HW1 6921   6.901   1.092   3.774 -2.1275  2.1434  1.1951
+ 1783SOL    HW2 6922   6.942   1.059   3.915 -1.3695  0.7050  0.6447
+ 1784SOL     OW 6923   7.039   3.230   4.744 -0.5444 -0.1676  0.2404
+ 1784SOL    HW1 6924   7.120   3.275   4.767 -0.9393  0.6041  0.1288
+ 1784SOL    HW2 6925   7.061   3.137   4.750 -0.0234  0.0248  1.5190
+ 1785SOL     OW 6926   2.670   2.604   4.412 -0.1129  0.3352 -0.2523
+ 1785SOL    HW1 6927   2.712   2.592   4.497 -1.0144 -1.6656 -0.0506
+ 1785SOL    HW2 6928   2.600   2.668   4.429 -1.0575 -0.9407  0.8143
+ 1786SOL     OW 6929   1.505   2.400   3.997  0.7000 -0.4964  0.2855
+ 1786SOL    HW1 6930   1.481   2.491   3.981  1.9639  0.0814  1.5503
+ 1786SOL    HW2 6931   1.554   2.374   3.919  0.2036 -0.1526 -0.1472
+ 1787SOL     OW 6932   2.019   4.591   5.119 -0.4683 -0.0673 -0.0685
+ 1787SOL    HW1 6933   2.053   4.551   5.039  1.1613  0.5984  0.2605
+ 1787SOL    HW2 6934   1.978   4.672   5.089  0.3377  0.2935 -0.2230
+ 1788SOL     OW 6935   0.380   2.708   3.782 -0.0784  0.3954  0.6924
+ 1788SOL    HW1 6936   0.365   2.774   3.850 -1.0217 -0.5582  1.4396
+ 1788SOL    HW2 6937   0.297   2.661   3.776  0.1607  0.1430 -0.7797
+ 1789SOL     OW 6938   1.051   4.502   4.495  0.1293 -0.4545 -0.2134
+ 1789SOL    HW1 6939   0.956   4.508   4.501  0.1739 -1.3210  1.6098
+ 1789SOL    HW2 6940   1.080   4.592   4.480 -0.9307 -0.0894 -0.1074
+ 1790SOL     OW 6941   2.838   5.019   5.317 -0.0199 -0.0018  0.3273
+ 1790SOL    HW1 6942   2.796   5.024   5.231  0.4211  1.6369  0.1946
+ 1790SOL    HW2 6943   2.844   5.110   5.346  1.0195 -0.4426  1.5247
+ 1791SOL     OW 6944   1.192   0.411   5.304  0.1188  0.4600  0.1759
+ 1791SOL    HW1 6945   1.214   0.320   5.319  0.1156  0.5858  0.9582
+ 1791SOL    HW2 6946   1.199   0.422   5.209 -0.2601 -0.4448  0.0368
+ 1792SOL     OW 6947   0.269   4.483   6.443 -0.0466 -0.0873  0.2246
+ 1792SOL    HW1 6948   0.328   4.520   6.377  1.4718  0.1946  1.7181
+ 1792SOL    HW2 6949   0.182   4.490   6.403  0.6162  1.8965 -0.9466
+ 1793SOL     OW 6950   2.029   5.042   6.275  0.3215 -0.4695  0.1491
+ 1793SOL    HW1 6951   2.036   5.006   6.364  2.2525  0.6466  0.4691
+ 1793SOL    HW2 6952   1.949   5.095   6.278 -0.0566 -1.0681  0.9883
+ 1794SOL     OW 6953   0.540   3.929   3.410  0.0924  0.0032  0.1286
+ 1794SOL    HW1 6954   0.623   3.976   3.409  0.3592 -0.4821 -0.5343
+ 1794SOL    HW2 6955   0.539   3.878   3.329 -0.1676 -1.1764  0.8580
+ 1795SOL     OW 6956   7.150   3.282   3.948 -0.6771 -0.0299 -0.2122
+ 1795SOL    HW1 6957   7.182   3.320   3.866 -1.3469  0.6139 -0.1828
+ 1795SOL    HW2 6958   7.171   3.348   4.015  1.2227 -1.1997  0.3889
+ 1796SOL     OW 6959   0.714   2.071   4.275 -0.1310 -0.3908  0.1911
+ 1796SOL    HW1 6960   0.764   2.090   4.195 -0.6068  0.7884  0.1546
+ 1796SOL    HW2 6961   0.774   2.022   4.331  0.9384  0.6967  0.0062
+ 1797SOL     OW 6962   1.626   3.251   6.243  0.1099  0.3657  0.4358
+ 1797SOL    HW1 6963   1.604   3.207   6.161  1.3849  0.7959 -0.1548
+ 1797SOL    HW2 6964   1.631   3.344   6.220  1.9316  0.3428  0.6601
+ 1798SOL     OW 6965   3.118   1.787   4.528 -0.2302  0.6046 -0.5553
+ 1798SOL    HW1 6966   3.055   1.750   4.590  1.4223  0.1585  0.8902
+ 1798SOL    HW2 6967   3.118   1.881   4.545 -0.0747  0.5301 -0.1492
+ 1799SOL     OW 6968   7.273   2.431   4.563 -0.6938  0.3008  0.7075
+ 1799SOL    HW1 6969   7.294   2.524   4.555 -2.1497  0.5529 -0.7129
+ 1799SOL    HW2 6970   7.242   2.407   4.475 -1.5246 -1.2003  1.3961
+ 1800SOL     OW 6971   0.288   3.472   3.970 -0.2157  0.2900 -0.7604
+ 1800SOL    HW1 6972   0.341   3.503   3.897 -0.5722 -0.6985 -1.4502
+ 1800SOL    HW2 6973   0.198   3.476   3.938 -0.5356  1.4732  0.2259
+ 1801SOL     OW 6974   1.475   1.920   2.657 -0.1033  0.3550  0.8558
+ 1801SOL    HW1 6975   1.446   1.927   2.566 -0.9433 -0.4240  1.0497
+ 1801SOL    HW2 6976   1.549   1.980   2.663  1.1208 -0.9334 -0.8013
+ 1802SOL     OW 6977   1.022   2.715   4.152 -0.2786 -0.1529  0.3108
+ 1802SOL    HW1 6978   1.028   2.629   4.110  0.4452 -0.3268  0.7722
+ 1802SOL    HW2 6979   1.037   2.777   4.081 -0.0620 -0.4190  0.1224
+ 1803SOL     OW 6980   1.154   1.903   5.925  0.2509  0.1525  0.0969
+ 1803SOL    HW1 6981   1.178   1.811   5.912 -0.4951  0.2706 -2.3158
+ 1803SOL    HW2 6982   1.171   1.944   5.841  0.5778  2.2495  1.1655
+ 1804SOL     OW 6983   7.957   4.466   5.622  0.7765  0.0306 -0.4606
+ 1804SOL    HW1 6984   7.898   4.517   5.566  0.3972  1.8678  1.5019
+ 1804SOL    HW2 6985   7.925   4.376   5.616 -0.6293  0.5754 -1.4391
+ 1805SOL     OW 6986   2.186   2.165   5.200 -0.1574 -0.4377  0.1708
+ 1805SOL    HW1 6987   2.138   2.234   5.245 -1.4634  0.2419 -2.1451
+ 1805SOL    HW2 6988   2.154   2.084   5.238 -2.0765  0.0759 -0.2655
+ 1806SOL     OW 6989   2.728   1.054   4.940 -0.1900 -0.3950  0.5992
+ 1806SOL    HW1 6990   2.756   1.142   4.965  1.1280 -0.7465  0.4046
+ 1806SOL    HW2 6991   2.707   1.061   4.847 -3.2440  0.4660  1.3249
+ 1807SOL     OW 6992   7.668   4.534   2.691  0.2989  0.6060 -0.5033
+ 1807SOL    HW1 6993   7.747   4.535   2.744 -0.6935  2.2943  1.0011
+ 1807SOL    HW2 6994   7.654   4.626   2.667 -1.0377  0.2904 -0.9950
+ 1808SOL     OW 6995   0.920   1.796   4.394 -0.1783 -0.1256 -0.1072
+ 1808SOL    HW1 6996   0.987   1.736   4.425  1.6162  0.9178 -1.8235
+ 1808SOL    HW2 6997   0.837   1.757   4.422  1.1251 -1.5986  1.7709
+ 1809SOL     OW 6998   7.653   3.159   3.545 -0.3906 -0.3073  0.0702
+ 1809SOL    HW1 6999   7.586   3.173   3.478 -0.6917 -0.9288  0.2372
+ 1809SOL    HW2 7000   7.716   3.229   3.531  0.4961 -1.4871 -2.0038
+ 1810SOL     OW 7001   1.363   2.912   5.690  0.6765 -0.3226  0.0563
+ 1810SOL    HW1 7002   1.341   3.001   5.662  0.1711 -0.3630  0.3110
+ 1810SOL    HW2 7003   1.408   2.873   5.615 -0.9945 -0.5596 -0.8556
+ 1811SOL     OW 7004   1.723   1.809   3.697  0.6520  0.4577  0.4137
+ 1811SOL    HW1 7005   1.648   1.858   3.730 -0.0769 -0.6279  0.3785
+ 1811SOL    HW2 7006   1.711   1.720   3.732  1.8138  0.2295  0.2568
+ 1812SOL     OW 7007   0.215   2.816   3.034  0.1703 -0.4053 -0.1230
+ 1812SOL    HW1 7008   0.127   2.835   3.063  0.5804  0.6921  0.4123
+ 1812SOL    HW2 7009   0.234   2.729   3.070 -2.0342 -2.3555 -3.3451
+ 1813SOL     OW 7010   7.969   4.299   4.458  0.0682  0.2008 -0.0426
+ 1813SOL    HW1 7011   7.984   4.207   4.440 -0.7007 -0.2404  1.5311
+ 1813SOL    HW2 7012   8.004   4.313   4.546 -1.6153  0.9303  0.5420
+ 1814SOL     OW 7013   0.829   2.108   4.860  0.1980  0.2302 -0.1007
+ 1814SOL    HW1 7014   0.812   2.063   4.942 -0.4070  0.1142 -0.2894
+ 1814SOL    HW2 7015   0.881   2.046   4.809 -1.9179 -0.8798 -0.9652
+ 1815SOL     OW 7016   0.889   3.609   3.020 -0.1763  0.0625  0.1099
+ 1815SOL    HW1 7017   0.852   3.662   3.091 -0.6250 -1.3735  0.9559
+ 1815SOL    HW2 7018   0.969   3.572   3.057  0.5370  0.7234 -0.7296
+ 1816SOL     OW 7019   7.329   2.729   4.557 -0.1816  0.2391  0.3950
+ 1816SOL    HW1 7020   7.374   2.716   4.474 -0.5688 -0.7101  0.3251
+ 1816SOL    HW2 7021   7.321   2.824   4.566  0.5883  0.3668 -0.2542
+ 1817SOL     OW 7022   0.442   3.227   5.032  0.3373  0.5288 -0.1709
+ 1817SOL    HW1 7023   0.439   3.142   5.076 -3.9679  0.2329 -0.8185
+ 1817SOL    HW2 7024   0.425   3.290   5.102 -0.9338  0.4930 -0.4420
+ 1818SOL     OW 7025   0.595   2.868   4.250  0.8466 -0.1307  0.5789
+ 1818SOL    HW1 7026   0.509   2.899   4.221 -0.4620 -2.4948  1.7898
+ 1818SOL    HW2 7027   0.624   2.933   4.314 -0.7269 -0.1208  1.2875
+ 1819SOL     OW 7028   1.642   5.566   6.532 -0.3766  0.0635 -0.2920
+ 1819SOL    HW1 7029   1.616   5.588   6.442 -0.1655  0.3486 -0.2856
+ 1819SOL    HW2 7030   1.572   5.511   6.565  0.2328 -1.2326 -1.1249
+ 1820SOL     OW 7031   7.287   2.154   4.030  0.2545 -0.2951 -0.2678
+ 1820SOL    HW1 7032   7.195   2.163   4.055  0.6324 -0.1766  1.1389
+ 1820SOL    HW2 7033   7.311   2.239   3.991 -0.1207 -0.1832 -0.2501
+ 1821SOL     OW 7034   1.791   3.078   5.199  0.6702 -0.2346 -0.1105
+ 1821SOL    HW1 7035   1.720   3.070   5.136  0.6041  2.2058 -0.3932
+ 1821SOL    HW2 7036   1.871   3.073   5.146  0.6527  0.1386 -0.1690
+ 1822SOL     OW 7037   2.756   1.983   3.320 -0.2310 -0.5134  0.0499
+ 1822SOL    HW1 7038   2.697   2.058   3.325 -0.7303 -0.9808  1.2938
+ 1822SOL    HW2 7039   2.704   1.914   3.278 -0.1504 -0.5366 -0.0134
+ 1823SOL     OW 7040   2.088   2.497   3.634  0.2059  0.4190 -0.2208
+ 1823SOL    HW1 7041   2.010   2.499   3.579 -0.0772  0.1292  0.1663
+ 1823SOL    HW2 7042   2.063   2.544   3.714  0.4377  0.3465 -0.1035
+ 1824SOL     OW 7043   1.362   3.265   5.272  0.3975  0.7423 -0.1197
+ 1824SOL    HW1 7044   1.447   3.255   5.228  0.5138  1.9965 -0.1963
+ 1824SOL    HW2 7045   1.300   3.219   5.215  0.7684  1.1991 -0.8963
+ 1825SOL     OW 7046   0.931   4.632   3.401  0.0222  0.3404  0.6871
+ 1825SOL    HW1 7047   1.009   4.596   3.443 -1.1917 -1.1764  1.7056
+ 1825SOL    HW2 7048   0.889   4.685   3.468 -0.4773  0.1162  0.5638
+ 1826SOL     OW 7049   0.165   3.986   5.152  0.0323  0.6200 -0.0496
+ 1826SOL    HW1 7050   0.211   3.924   5.095 -1.3361 -1.0129  0.5803
+ 1826SOL    HW2 7051   0.124   4.048   5.091  0.5152  0.2637 -0.7405
+ 1827SOL     OW 7052   0.681   3.201   5.232 -0.2942 -0.7732 -0.0609
+ 1827SOL    HW1 7053   0.607   3.255   5.205  0.2836 -0.0731 -0.2437
+ 1827SOL    HW2 7054   0.650   3.111   5.222 -0.2182 -0.5376 -2.6999
+ 1828SOL     OW 7055   2.257   5.035   5.840  0.0648 -0.4582  0.1645
+ 1828SOL    HW1 7056   2.229   4.950   5.807 -1.4449  0.0749  0.0514
+ 1828SOL    HW2 7057   2.201   5.098   5.795  2.1151  0.7050 -0.8176
+ 1829SOL     OW 7058   7.848   2.453   2.210  0.2917  0.5671  0.0692
+ 1829SOL    HW1 7059   7.905   2.390   2.253 -1.2693 -0.0750  1.2443
+ 1829SOL    HW2 7060   7.771   2.458   2.265 -0.9088  1.2574 -1.6079
+ 1830SOL     OW 7061   2.846   2.247   4.333  0.3310 -1.3843 -0.7051
+ 1830SOL    HW1 7062   2.788   2.171   4.330 -1.3263 -0.1808  0.0662
+ 1830SOL    HW2 7063   2.867   2.258   4.426 -1.0388  0.2488 -0.5591
+ 1831SOL     OW 7064   0.586   4.418   5.593  0.0760 -0.1522  0.0340
+ 1831SOL    HW1 7065   0.627   4.373   5.519  0.2072 -0.0315  0.0321
+ 1831SOL    HW2 7066   0.638   4.498   5.604 -0.2148  0.0471 -0.0279
+ 1832SOL     OW 7067   1.731   2.877   3.204 -0.3282 -0.1311 -0.3105
+ 1832SOL    HW1 7068   1.736   2.784   3.228 -1.1602  0.0340  0.5498
+ 1832SOL    HW2 7069   1.818   2.898   3.170  0.3864 -0.8163  1.0514
+ 1833SOL     OW 7070   1.291   4.868   4.377  0.1086  0.3903 -0.2708
+ 1833SOL    HW1 7071   1.382   4.842   4.384  0.0591  0.0419 -0.8907
+ 1833SOL    HW2 7072   1.241   4.787   4.385 -0.0734  0.3659 -1.5589
+ 1834SOL     OW 7073   2.272   0.639   5.426  0.1064 -0.6161 -0.1029
+ 1834SOL    HW1 7074   2.197   0.694   5.402  0.0817  0.0384  1.4162
+ 1834SOL    HW2 7075   2.347   0.697   5.420  0.0573 -0.3249  1.7036
+ 1835SOL     OW 7076   7.244   0.711   4.849  0.1698  0.3976 -0.2573
+ 1835SOL    HW1 7077   7.220   0.622   4.872 -1.4405  1.2206  1.3668
+ 1835SOL    HW2 7078   7.218   0.720   4.757 -2.9819  0.2808  0.5796
+ 1836SOL     OW 7079   0.162   3.959   4.130  0.5104 -0.1592  0.2288
+ 1836SOL    HW1 7080   0.187   3.870   4.107  0.2665  0.0582 -0.9151
+ 1836SOL    HW2 7081   0.244   4.009   4.128  0.8279 -0.5935  2.0382
+ 1837SOL     OW 7082   0.578   1.131   6.336  0.1344 -0.2148 -0.2877
+ 1837SOL    HW1 7083   0.532   1.124   6.419 -0.8755 -0.9474 -0.8951
+ 1837SOL    HW2 7084   0.528   1.194   6.285  0.4802 -0.1247 -0.5212
+ 1838SOL     OW 7085   2.466   4.005   4.003 -0.6387 -0.2267  0.2736
+ 1838SOL    HW1 7086   2.539   4.010   3.941  0.2641  1.2819  1.4325
+ 1838SOL    HW2 7087   2.391   4.038   3.954 -0.6488 -2.0633 -1.0242
+ 1839SOL     OW 7088   1.568   2.166   4.157  0.1920 -0.5809 -0.0974
+ 1839SOL    HW1 7089   1.510   2.234   4.123 -1.6703 -0.8181  2.4853
+ 1839SOL    HW2 7090   1.646   2.214   4.185 -0.6555  0.3676  0.6767
+ 1840SOL     OW 7091   1.567   1.828   4.226  0.6156  0.2858  0.0189
+ 1840SOL    HW1 7092   1.562   1.923   4.230  3.1213  0.5857 -2.7381
+ 1840SOL    HW2 7093   1.495   1.803   4.168  2.1175  0.8032 -2.0898
+ 1841SOL     OW 7094   0.753   3.796   3.725 -0.0202 -0.0932  0.5129
+ 1841SOL    HW1 7095   0.803   3.857   3.670  0.7118 -0.1435  1.1095
+ 1841SOL    HW2 7096   0.668   3.838   3.736  0.6412  1.0509  1.3086
+ 1842SOL     OW 7097   1.620   3.485   5.171  0.5132 -0.0971  0.4477
+ 1842SOL    HW1 7098   1.586   3.460   5.086 -1.0971  1.1634  0.6908
+ 1842SOL    HW2 7099   1.664   3.569   5.156  0.8155 -0.1967  0.7419
+ 1843SOL     OW 7100   1.704   2.838   5.638  0.3146 -0.2884  0.3428
+ 1843SOL    HW1 7101   1.728   2.914   5.584 -0.9121  0.8199  1.3152
+ 1843SOL    HW2 7102   1.614   2.819   5.614  0.2589 -0.7332  0.8962
+ 1844SOL     OW 7103   7.976   2.239   4.735 -0.1590  0.6526  0.1106
+ 1844SOL    HW1 7104   7.954   2.252   4.828 -4.5620 -2.3058 -0.3888
+ 1844SOL    HW2 7105   7.896   2.261   4.688  1.4726  0.3970 -2.8717
+ 1845SOL     OW 7106   4.379   2.161   3.685  0.3878 -0.0157 -0.2421
+ 1845SOL    HW1 7107   4.296   2.208   3.680 -0.0580 -0.6820  0.9215
+ 1845SOL    HW2 7108   4.437   2.220   3.733  0.0487 -0.3306  0.5579
+ 1846SOL     OW 7109   7.909   3.235   2.952  0.1224 -0.3216  0.4436
+ 1846SOL    HW1 7110   7.983   3.290   2.929  0.1154 -0.4394  0.1454
+ 1846SOL    HW2 7111   7.940   3.145   2.938 -0.1775 -0.3594  0.0313
+ 1847SOL     OW 7112   1.686   2.955   4.243 -0.5914  0.0371 -0.0269
+ 1847SOL    HW1 7113   1.622   3.021   4.216 -0.6455 -0.6040 -1.5439
+ 1847SOL    HW2 7114   1.633   2.886   4.284 -0.9787 -0.8187 -1.9167
+ 1848SOL     OW 7115   7.976   0.543   5.340 -0.7286 -0.3609 -0.9201
+ 1848SOL    HW1 7116   7.982   0.545   5.244  0.1677 -0.4898 -0.8743
+ 1848SOL    HW2 7117   8.058   0.502   5.368 -1.4960 -1.3798 -0.1443
+ 1849SOL     OW 7118   7.437   3.008   5.932 -0.4703  0.2419  0.1742
+ 1849SOL    HW1 7119   7.512   2.965   5.892 -1.3247 -0.3439 -0.8100
+ 1849SOL    HW2 7120   7.474   3.085   5.976  0.9598 -1.0638  1.3073
+ 1850SOL     OW 7121   0.105   2.238   6.771  0.0208  0.4445 -0.7107
+ 1850SOL    HW1 7122   0.135   2.233   6.862 -1.7644 -0.4034 -0.1528
+ 1850SOL    HW2 7123   0.148   2.316   6.736  0.7378  0.7625  0.8581
+ 1851SOL     OW 7124   1.963   3.180   6.924  0.2444 -0.5298 -0.0803
+ 1851SOL    HW1 7125   1.999   3.263   6.954  0.2056 -0.7873  0.6787
+ 1851SOL    HW2 7126   1.913   3.203   6.845  2.2465 -0.2076 -1.3016
+ 1852SOL     OW 7127   2.113   6.458   7.235 -0.1104  0.3047  0.2399
+ 1852SOL    HW1 7128   2.030   6.426   7.268  0.8684 -2.6463 -0.0558
+ 1852SOL    HW2 7129   2.176   6.390   7.258  1.1104 -0.6779 -5.3103
+ 1853SOL     OW 7130   2.778   2.245   6.551  0.3826 -0.4928  0.2372
+ 1853SOL    HW1 7131   2.716   2.172   6.542  0.2624 -0.4385  0.6332
+ 1853SOL    HW2 7132   2.722   2.323   6.551  0.5032 -0.4060 -0.0784
+ 1854SOL     OW 7133   1.774   3.181   6.452 -0.0762  0.4107  0.1608
+ 1854SOL    HW1 7134   1.716   3.181   6.376  0.2792 -0.3673 -0.1116
+ 1854SOL    HW2 7135   1.766   3.270   6.488  0.6085  1.1310 -1.4244
+ 1855SOL     OW 7136   1.951   3.018   6.605  0.3842  0.4354  0.3910
+ 1855SOL    HW1 7137   1.896   3.066   6.543  1.2980 -0.4449 -1.1302
+ 1855SOL    HW2 7138   1.923   2.927   6.596  0.6122  0.2840  1.1855
+ 1856SOL     OW 7139   0.036   2.416   0.030  0.1026 -0.3242 -0.2626
+ 1856SOL    HW1 7140   0.041   2.354  -0.043 -0.5155 -2.2656  1.2779
+ 1856SOL    HW2 7141  -0.056   2.442   0.033  0.0983 -0.3572 -0.1003
+ 1857SOL     OW 7142   0.194   2.483   7.441 -0.0388  0.4701 -0.2431
+ 1857SOL    HW1 7143   0.115   2.468   7.389 -1.4710  2.4836  1.2922
+ 1857SOL    HW2 7144   0.237   2.558   7.400 -1.5495  2.5305  1.8053
+ 1858SOL     OW 7145   1.545   4.319   7.511 -0.1202  0.5579  0.4029
+ 1858SOL    HW1 7146   1.467   4.290   7.558  0.8364 -1.0314  1.0878
+ 1858SOL    HW2 7147   1.518   4.398   7.464 -2.3064 -0.3396  0.0923
+ 1859SOL     OW 7148   7.663   3.063   5.398  0.0506  0.2390 -0.0236
+ 1859SOL    HW1 7149   7.634   2.999   5.463  1.8498 -0.7139 -0.1291
+ 1859SOL    HW2 7150   7.695   3.137   5.450  1.0010 -0.3050  0.1721
+ 1860SOL     OW 7151   3.305   3.947   0.786  0.2765 -0.4993 -0.1474
+ 1860SOL    HW1 7152   3.252   4.012   0.739  0.8254  0.0828  0.0363
+ 1860SOL    HW2 7153   3.242   3.895   0.835 -0.0576  0.7287  0.7293
+ 1861SOL     OW 7154   0.208   1.029   7.383  0.0504  0.4678 -0.3264
+ 1861SOL    HW1 7155   0.238   1.118   7.363  0.8493  0.0305 -1.1012
+ 1861SOL    HW2 7156   0.253   1.007   7.464 -0.4201  0.9002  0.0561
+ 1862SOL     OW 7157   2.606   2.800   7.261 -0.1201  0.1262  0.1629
+ 1862SOL    HW1 7158   2.612   2.827   7.353  0.2045  2.4592 -0.5377
+ 1862SOL    HW2 7159   2.680   2.739   7.250  0.5239  0.7142  1.1379
+ 1863SOL     OW 7160   0.059   4.385   6.688 -0.0098 -0.0602  0.1618
+ 1863SOL    HW1 7161   0.027   4.300   6.659  0.6888 -0.0932 -0.5091
+ 1863SOL    HW2 7162   0.147   4.392   6.652 -0.3168  1.2338 -0.3719
+ 1864SOL     OW 7163   0.260   2.601   6.377  0.6542  0.3298  0.5596
+ 1864SOL    HW1 7164   0.276   2.638   6.464  2.3692  1.6950 -0.2885
+ 1864SOL    HW2 7165   0.170   2.624   6.357  0.1473 -0.2623  2.0897
+ 1865SOL     OW 7166   7.782   0.467   7.687  0.3106 -0.6790  0.2820
+ 1865SOL    HW1 7167   7.831   0.414   7.750  1.8824  1.4428  0.9020
+ 1865SOL    HW2 7168   7.823   0.553   7.691 -0.5138 -0.1102 -2.6248
+ 1866SOL     OW 7169   0.269   2.587   7.180  0.7707 -0.0504  0.1367
+ 1866SOL    HW1 7170   0.330   2.660   7.188  0.4979  0.3499 -1.2124
+ 1866SOL    HW2 7171   0.182   2.629   7.179  0.5660 -0.4694  0.2962
+ 1867SOL     OW 7172   2.350   3.097   6.471 -0.2232  0.1968  0.1559
+ 1867SOL    HW1 7173   2.312   3.170   6.520 -0.2464 -0.4815  1.1456
+ 1867SOL    HW2 7174   2.277   3.062   6.420 -0.0333  1.3666 -0.9506
+ 1868SOL     OW 7175   1.492   2.743   5.507  0.2013 -0.1383  0.1135
+ 1868SOL    HW1 7176   1.433   2.675   5.474 -2.4505  1.6269  0.9952
+ 1868SOL    HW2 7177   1.559   2.752   5.439 -0.4405 -2.3365 -0.8501
+ 1869SOL     OW 7178   1.343   2.198   7.242 -0.2071  0.2234  0.3007
+ 1869SOL    HW1 7179   1.248   2.209   7.230 -0.2661  0.1177  0.6750
+ 1869SOL    HW2 7180   1.351   2.149   7.323  0.3018  3.2370  2.1395
+ 1870SOL     OW 7181   0.829   2.705   7.043 -0.5203  0.1382  0.1574
+ 1870SOL    HW1 7182   0.796   2.764   6.976  1.8339  1.0095 -0.2625
+ 1870SOL    HW2 7183   0.784   2.733   7.123  0.9118  2.8166  0.0692
+ 1871SOL     OW 7184   3.319   5.077   6.905  0.3626 -0.2579 -0.0857
+ 1871SOL    HW1 7185   3.371   5.135   6.849 -0.4268 -1.1653 -1.8162
+ 1871SOL    HW2 7186   3.232   5.077   6.865 -0.1553 -1.1204  1.0130
+ 1872SOL     OW 7187   1.092   4.906   5.213  0.7206 -0.3309  0.1697
+ 1872SOL    HW1 7188   1.119   4.818   5.240  0.8803 -0.0410  0.9622
+ 1872SOL    HW2 7189   1.172   4.944   5.175 -0.1300 -1.6447 -3.1307
+ 1873SOL     OW 7190   1.816   0.819   6.379  0.0415 -0.5548 -0.0688
+ 1873SOL    HW1 7191   1.798   0.809   6.285 -0.9165  0.3097  0.0116
+ 1873SOL    HW2 7192   1.879   0.891   6.383  0.4816 -0.9343 -0.0757
+ 1874SOL     OW 7193   0.794   2.857   6.815  0.2789  0.1135 -0.0440
+ 1874SOL    HW1 7194   0.854   2.898   6.753  0.0699 -0.0279 -0.3379
+ 1874SOL    HW2 7195   0.731   2.926   6.836 -0.7631 -0.4160 -1.4385
+ 1875SOL     OW 7196   3.039   2.260   6.476  0.0555 -0.1737  0.0385
+ 1875SOL    HW1 7197   2.960   2.305   6.505  0.5883  1.1037 -0.4644
+ 1875SOL    HW2 7198   3.061   2.301   6.393 -0.0958 -2.1696 -1.0308
+ 1876SOL     OW 7199   2.121   3.041   6.327  0.0903  0.1209  0.5618
+ 1876SOL    HW1 7200   2.063   3.101   6.280  0.9045  1.1993  0.9175
+ 1876SOL    HW2 7201   2.117   2.960   6.277  0.9939  1.2592 -1.4108
+ 1877SOL     OW 7202   1.260   4.735   7.254  0.2317 -0.2472 -0.1949
+ 1877SOL    HW1 7203   1.290   4.826   7.246  0.1799 -0.3311 -1.4542
+ 1877SOL    HW2 7204   1.164   4.741   7.249  0.1624 -0.2430  1.0819
+ 1878SOL     OW 7205   0.407   1.721   6.848  0.6369  0.3506 -0.2036
+ 1878SOL    HW1 7206   0.334   1.690   6.793  0.9013  0.7628 -0.7880
+ 1878SOL    HW2 7207   0.394   1.676   6.932 -1.8810  2.5075  0.6147
+ 1879SOL     OW 7208   1.197   2.614   6.707  0.6694 -0.4824  0.3198
+ 1879SOL    HW1 7209   1.243   2.532   6.691  1.3292 -0.2202  0.8690
+ 1879SOL    HW2 7210   1.134   2.593   6.776  1.2186 -0.3882  0.8467
+ 1880SOL     OW 7211   1.205   3.601   6.194 -0.4477  0.1706 -0.7712
+ 1880SOL    HW1 7212   1.133   3.624   6.253  1.8952 -1.3779  2.8292
+ 1880SOL    HW2 7213   1.162   3.586   6.109 -4.1598  0.7264  0.9045
+ 1881SOL     OW 7214   0.431   4.746   7.088  0.3018  0.1289  0.0809
+ 1881SOL    HW1 7215   0.442   4.668   7.142  0.1631 -0.1965 -0.3631
+ 1881SOL    HW2 7216   0.504   4.743   7.027 -0.8549 -0.7493 -1.2874
+ 1882SOL     OW 7217   7.166   2.891   0.874 -0.1736  0.7021 -0.2210
+ 1882SOL    HW1 7218   7.114   2.863   0.798 -0.5082 -0.0664  0.2941
+ 1882SOL    HW2 7219   7.256   2.894   0.841 -0.1258 -1.0151 -0.2728
+ 1883SOL     OW 7220   1.100   2.491   5.216 -0.2969 -0.0567  1.2371
+ 1883SOL    HW1 7221   1.031   2.501   5.151 -0.6118 -0.7618  1.4531
+ 1883SOL    HW2 7222   1.134   2.403   5.202 -0.0731 -0.0533  1.7400
+ 1884SOL     OW 7223   1.944   1.706   4.805  0.9855 -0.0598 -0.5081
+ 1884SOL    HW1 7224   1.925   1.793   4.842 -0.4852 -0.3101 -0.6799
+ 1884SOL    HW2 7225   1.998   1.663   4.872  0.1376  0.2828  0.3972
+ 1885SOL     OW 7226   0.718   3.716   5.105 -0.1800 -0.1248 -0.0423
+ 1885SOL    HW1 7227   0.757   3.802   5.125 -0.2965  0.0776 -0.6760
+ 1885SOL    HW2 7228   0.780   3.675   5.045 -0.8842  0.1608 -0.9797
+ 1886SOL     OW 7229   0.715   2.977   6.364  0.3358 -0.2419 -0.0431
+ 1886SOL    HW1 7230   0.623   3.001   6.376  0.0892 -0.9725 -0.4122
+ 1886SOL    HW2 7231   0.720   2.948   6.273  1.2144  1.0078 -0.3931
+ 1887SOL     OW 7232   0.091   4.235   4.718 -0.0004  0.2603 -0.3357
+ 1887SOL    HW1 7233   0.043   4.255   4.798 -1.4376 -0.8254 -0.9129
+ 1887SOL    HW2 7234   0.179   4.211   4.748 -0.0401  1.4761  0.7840
+ 1888SOL     OW 7235   1.228   0.948   5.974  0.0612 -0.2068 -0.7990
+ 1888SOL    HW1 7236   1.214   1.007   6.048  0.1054  0.2764 -1.1699
+ 1888SOL    HW2 7237   1.215   0.860   6.010  0.3986  0.0041 -0.1446
+ 1889SOL     OW 7238   1.539   2.752   7.030 -0.3465 -0.7615 -0.4283
+ 1889SOL    HW1 7239   1.455   2.767   6.985 -0.2608  0.2008 -0.2923
+ 1889SOL    HW2 7240   1.595   2.824   7.001 -0.3031 -0.0962  1.2286
+ 1890SOL     OW 7241   2.159   5.591   0.929 -0.1368  0.5095 -0.1664
+ 1890SOL    HW1 7242   2.191   5.681   0.939  1.4192  0.0096 -0.5630
+ 1890SOL    HW2 7243   2.124   5.568   1.016 -0.9042  1.6168 -0.1662
+ 1891SOL     OW 7244   2.343   2.209   4.328 -0.3936  0.1248  0.4622
+ 1891SOL    HW1 7245   2.290   2.229   4.405 -0.1281  0.7092  0.4972
+ 1891SOL    HW2 7246   2.409   2.278   4.327 -1.6972  1.3794 -1.5179
+ 1892SOL     OW 7247   0.668   2.015   7.586  0.1865  0.0370 -0.4511
+ 1892SOL    HW1 7248   0.706   2.038   7.501 -0.5877  0.3028 -0.7275
+ 1892SOL    HW2 7249   0.577   1.993   7.567 -0.3317  1.3160  0.4946
+ 1893SOL     OW 7250   7.712   3.259   6.256  0.2599  0.1251 -0.5522
+ 1893SOL    HW1 7251   7.741   3.179   6.212  0.7253 -0.3370  0.5608
+ 1893SOL    HW2 7252   7.736   3.246   6.348 -2.1954  0.3475  0.1685
+ 1894SOL     OW 7253   1.960   4.088   6.925  0.0202  0.1042 -0.0555
+ 1894SOL    HW1 7254   1.902   4.070   6.999  1.0507 -0.2172  0.6965
+ 1894SOL    HW2 7255   2.042   4.044   6.948  0.0863 -0.7007 -1.7963
+ 1895SOL     OW 7256   1.917   2.870   5.893 -0.1257  0.1943  0.3124
+ 1895SOL    HW1 7257   1.855   2.895   5.825 -0.2576  1.6212  0.9375
+ 1895SOL    HW2 7258   1.872   2.888   5.975  0.0641 -1.4377  0.7927
+ 1896SOL     OW 7259   2.451   1.790   7.021 -0.4692 -0.3404  0.1823
+ 1896SOL    HW1 7260   2.366   1.784   7.066  0.4520 -1.4308  1.8437
+ 1896SOL    HW2 7261   2.458   1.708   6.971  0.5101 -1.2478  1.7533
+ 1897SOL     OW 7262   2.734   3.048   6.128  0.3060 -0.3329 -0.0928
+ 1897SOL    HW1 7263   2.666   3.054   6.195 -0.2397  2.7901 -0.8380
+ 1897SOL    HW2 7264   2.790   3.124   6.145  0.4532  0.2249 -2.8248
+ 1898SOL     OW 7265   1.367   3.224   6.519  0.5928 -0.0781  0.2791
+ 1898SOL    HW1 7266   1.443   3.283   6.516 -0.4249  1.3009  0.7851
+ 1898SOL    HW2 7267   1.343   3.222   6.612 -0.0417 -0.4338  0.1087
+ 1899SOL     OW 7268   2.004   2.466   7.904 -0.1150 -0.0175  0.1888
+ 1899SOL    HW1 7269   1.952   2.546   7.910 -1.2054 -0.8346  1.7029
+ 1899SOL    HW2 7270   2.048   2.474   7.819 -2.1306  1.0266 -0.8097
+ 1900SOL     OW 7271   0.319   5.084   5.144 -0.8999 -0.2846 -0.1146
+ 1900SOL    HW1 7272   0.380   5.014   5.121 -0.7209 -0.0622 -0.3274
+ 1900SOL    HW2 7273   0.306   5.075   5.238 -0.6080 -0.3890 -0.0828
+ 1901SOL     OW 7274   1.713   2.871   7.586  0.3382  0.2480 -0.2030
+ 1901SOL    HW1 7275   1.787   2.906   7.535  0.6097  1.6877  1.1529
+ 1901SOL    HW2 7276   1.646   2.853   7.520  1.5781 -0.2723 -1.3563
+ 1902SOL     OW 7277   1.762   1.953   5.345 -0.0049  0.2855  0.0277
+ 1902SOL    HW1 7278   1.691   1.904   5.386 -1.1100  0.9631 -1.0338
+ 1902SOL    HW2 7279   1.744   2.045   5.367  3.0196  0.1833  3.5054
+ 1903SOL     OW 7280   1.678   2.209   5.355  0.3085 -0.8630  0.2185
+ 1903SOL    HW1 7281   1.637   2.280   5.306 -0.5764 -1.2106  0.4515
+ 1903SOL    HW2 7282   1.680   2.239   5.446  2.2552 -0.0777 -0.0522
+ 1904SOL     OW 7283   2.243   3.992   0.006  0.0028 -0.0367  0.4799
+ 1904SOL    HW1 7284   2.214   4.047   0.079 -0.1808  0.4229  0.0682
+ 1904SOL    HW2 7285   2.172   3.999  -0.058  0.1534 -0.4507  0.2694
+ 1905SOL     OW 7286   0.397   2.437   0.581  0.3534  0.9024  0.6841
+ 1905SOL    HW1 7287   0.335   2.398   0.643  0.6470 -0.0046  0.4301
+ 1905SOL    HW2 7288   0.480   2.392   0.599  0.4709  0.7293 -0.2546
+ 1906SOL     OW 7289   1.863   5.287   5.810  0.3644  0.2496 -0.0214
+ 1906SOL    HW1 7290   1.923   5.341   5.861  0.4862 -0.1111  0.2147
+ 1906SOL    HW2 7291   1.799   5.349   5.776  1.3584  0.7628 -0.9949
+ 1907SOL     OW 7292   7.858   3.905   5.856 -0.0752  0.0019 -0.0203
+ 1907SOL    HW1 7293   7.906   3.958   5.792 -3.0092  1.2453 -1.2863
+ 1907SOL    HW2 7294   7.792   3.965   5.892 -1.0170 -1.7678  1.2573
+ 1908SOL     OW 7295   1.297   3.584   6.599  0.7088 -0.1482 -0.5877
+ 1908SOL    HW1 7296   1.339   3.657   6.553  2.1450  1.5091  3.1585
+ 1908SOL    HW2 7297   1.204   3.604   6.597  0.9813  1.1256 -0.7016
+ 1909SOL     OW 7298   7.404   2.670   5.591 -0.0807  0.2114 -0.2706
+ 1909SOL    HW1 7299   7.311   2.648   5.580  0.6389 -1.6748 -3.3092
+ 1909SOL    HW2 7300   7.449   2.586   5.581  2.0518  1.3624 -0.4988
+ 1910SOL     OW 7301   1.722   6.894   7.140 -0.1163  0.1616 -0.3795
+ 1910SOL    HW1 7302   1.722   6.970   7.083 -0.0096 -0.8090 -1.6962
+ 1910SOL    HW2 7303   1.741   6.929   7.227  1.0658  1.4929 -1.1509
+ 1911SOL     OW 7304   0.870   2.079   7.403 -0.0349 -0.4623 -0.1658
+ 1911SOL    HW1 7305   0.912   1.999   7.370  1.9514  0.7881 -0.8009
+ 1911SOL    HW2 7306   0.922   2.102   7.480 -1.4723 -0.5376  0.8342
+ 1912SOL     OW 7307   1.705   3.012   5.432  0.2144  0.2960  0.9783
+ 1912SOL    HW1 7308   1.749   3.046   5.354  1.6940 -1.1270  1.1576
+ 1912SOL    HW2 7309   1.688   3.090   5.485 -0.8167  1.2688 -0.7569
+ 1913SOL     OW 7310   1.931   3.152   0.057 -0.0861 -0.4817 -0.2766
+ 1913SOL    HW1 7311   1.916   3.180   0.147  0.9833  1.2609 -0.6310
+ 1913SOL    HW2 7312   1.882   3.069   0.050 -3.2608  1.2141  0.7785
+ 1914SOL     OW 7313   0.757   2.905   0.101  0.0180 -0.2646 -0.0068
+ 1914SOL    HW1 7314   0.678   2.865   0.136 -1.3683  1.6710 -0.8442
+ 1914SOL    HW2 7315   0.735   2.929   0.011  1.7410 -0.2130 -0.4472
+ 1915SOL     OW 7316   2.998   1.381   5.642  0.0576 -0.2046 -0.1088
+ 1915SOL    HW1 7317   2.993   1.328   5.562 -0.2165  0.3307 -0.4474
+ 1915SOL    HW2 7318   2.954   1.327   5.708 -2.4031  0.6167 -1.0050
+ 1916SOL     OW 7319   0.331   0.939   7.588 -0.0290  0.4823  0.0818
+ 1916SOL    HW1 7320   0.426   0.937   7.574 -0.1308 -0.1013 -0.5452
+ 1916SOL    HW2 7321   0.319   0.909   7.678  0.5233  2.6230  0.8857
+ 1917SOL     OW 7322   1.641   2.548   5.159  0.3499  0.1002 -0.8652
+ 1917SOL    HW1 7323   1.640   2.617   5.226  0.1300 -0.6681 -0.0793
+ 1917SOL    HW2 7324   1.731   2.550   5.125 -0.0778  1.8415 -1.9671
+ 1918SOL     OW 7325   1.614   3.237   1.186  0.3900  0.1923 -0.1115
+ 1918SOL    HW1 7326   1.604   3.317   1.239 -0.3782  1.3643 -1.9498
+ 1918SOL    HW2 7327   1.529   3.193   1.193  0.4371  0.1198 -0.0016
+ 1919SOL     OW 7328   0.525   3.307   5.906 -0.5555  0.7946  0.0744
+ 1919SOL    HW1 7329   0.577   3.238   5.865  0.4635  0.2744  2.1773
+ 1919SOL    HW2 7330   0.541   3.384   5.852  0.8002  0.1582 -0.4661
+ 1920SOL     OW 7331   1.494   2.076   5.650  0.5544  0.5854  0.2024
+ 1920SOL    HW1 7332   1.557   2.005   5.655  2.1952  2.0310  0.7028
+ 1920SOL    HW2 7333   1.433   2.050   5.581 -0.1917 -2.2962  1.8922
+ 1921SOL     OW 7334   0.528   2.088   6.008 -0.4432  0.1949  0.2451
+ 1921SOL    HW1 7335   0.483   2.157   6.057 -0.7708  1.0911 -1.3051
+ 1921SOL    HW2 7336   0.606   2.130   5.973 -0.2822 -0.4104 -0.1192
+ 1922SOL     OW 7337   7.769   3.208   4.962  0.0906 -0.4144 -0.1783
+ 1922SOL    HW1 7338   7.840   3.174   5.015 -0.1573 -1.5776 -0.5799
+ 1922SOL    HW2 7339   7.791   3.300   4.949  0.5652 -0.3232  1.2433
+ 1923SOL     OW 7340   6.828   2.224   6.215  0.4952 -0.0797 -0.4423
+ 1923SOL    HW1 7341   6.842   2.189   6.303  0.1732  0.2214 -0.2696
+ 1923SOL    HW2 7342   6.754   2.173   6.181  2.1049 -1.8253 -1.4389
+ 1924SOL     OW 7343   0.527   1.449   7.066  0.1422  0.4643  0.0083
+ 1924SOL    HW1 7344   0.531   1.426   6.973 -1.3690  1.8219 -0.4042
+ 1924SOL    HW2 7345   0.573   1.532   7.073  0.7603  0.0812  0.5823
+ 1925SOL     OW 7346   1.273   3.174   5.627 -0.1247 -0.4689 -0.4571
+ 1925SOL    HW1 7347   1.226   3.147   5.548 -0.0428  0.5618 -0.8735
+ 1925SOL    HW2 7348   1.359   3.200   5.595 -0.0416 -0.1861 -0.0091
+ 1926SOL     OW 7349   0.948   3.356   6.969 -0.2872  0.3519  0.2619
+ 1926SOL    HW1 7350   0.859   3.349   6.934  0.7892 -0.8248 -2.3528
+ 1926SOL    HW2 7351   1.003   3.376   6.893  1.7520  0.6638  1.7684
+ 1927SOL     OW 7352   7.811   2.525   4.836 -0.3034  0.0797 -0.7123
+ 1927SOL    HW1 7353   7.799   2.614   4.870 -2.8702  0.3013 -2.0049
+ 1927SOL    HW2 7354   7.781   2.468   4.906  0.3664  0.2930 -0.2584
+ 1928SOL     OW 7355   0.839   3.360   5.871  0.0820 -0.7594 -0.0228
+ 1928SOL    HW1 7356   0.892   3.386   5.796 -0.4518 -1.3943 -0.6249
+ 1928SOL    HW2 7357   0.808   3.443   5.908  1.2974 -0.3892  0.2117
+ 1929SOL     OW 7358   1.729   1.401   5.254  0.0179 -0.0511  0.1047
+ 1929SOL    HW1 7359   1.813   1.424   5.294  1.0055  1.2895 -2.6597
+ 1929SOL    HW2 7360   1.749   1.326   5.198 -0.6938  0.1049 -0.3672
+ 1930SOL     OW 7361   0.023   1.775   6.966 -0.5332  0.0558  0.0137
+ 1930SOL    HW1 7362   0.110   1.785   7.004 -1.2539  1.2074  1.4437
+ 1930SOL    HW2 7363  -0.005   1.864   6.944 -0.9936 -0.3908 -1.2544
+ 1931SOL     OW 7364   1.733   2.681   7.219  0.2037  0.4854  0.5864
+ 1931SOL    HW1 7365   1.672   2.721   7.158  0.1995  2.3764  1.7807
+ 1931SOL    HW2 7366   1.690   2.689   7.305  1.2785  0.1026  1.1711
+ 1932SOL     OW 7367   1.710   3.405   7.253 -0.3197 -0.0905 -0.0337
+ 1932SOL    HW1 7368   1.682   3.313   7.246  0.1079 -0.3410  1.2320
+ 1932SOL    HW2 7369   1.655   3.441   7.323 -1.4023  1.0036 -1.4190
+ 1933SOL     OW 7370   2.223   7.908   6.901  0.3463 -0.7608  0.0263
+ 1933SOL    HW1 7371   2.222   7.985   6.844  1.9986  1.3610  2.7315
+ 1933SOL    HW2 7372   2.141   7.913   6.950  0.7381 -0.3133  0.6561
+ 1934SOL     OW 7373   3.103   1.306   6.613 -0.1452  0.1426 -0.3732
+ 1934SOL    HW1 7374   3.122   1.400   6.615  1.0760 -0.1076  0.9684
+ 1934SOL    HW2 7375   3.128   1.275   6.701  0.0414 -1.5321 -1.0009
+ 1935SOL     OW 7376   2.253   2.188   7.976 -0.3009 -0.2046  0.3804
+ 1935SOL    HW1 7377   2.175   2.188   7.921  0.2848  0.9904 -0.4827
+ 1935SOL    HW2 7378   2.232   2.246   8.049 -0.1455  0.3261  0.0117
+ 1936SOL     OW 7379   2.272   1.889   5.235 -0.0725 -0.4402  0.4945
+ 1936SOL    HW1 7380   2.303   1.913   5.148  1.4418 -2.5870  0.4015
+ 1936SOL    HW2 7381   2.189   1.844   5.219  0.6111 -1.5714  0.0594
+ 1937SOL     OW 7382   0.271   4.484   6.112  0.3990 -0.4311 -0.0955
+ 1937SOL    HW1 7383   0.322   4.534   6.176 -0.4630  1.2179 -0.6791
+ 1937SOL    HW2 7384   0.335   4.458   6.046  0.8237  0.1128  0.0954
+ 1938SOL     OW 7385   2.197   2.007   4.181 -0.1550  0.1686  0.8053
+ 1938SOL    HW1 7386   2.238   2.059   4.251  1.2323  0.0558  0.0754
+ 1938SOL    HW2 7387   2.246   1.925   4.179 -0.8836 -0.2641  0.4094
+ 1939SOL     OW 7388   1.418   2.346   6.411  0.1479 -0.6870 -0.1431
+ 1939SOL    HW1 7389   1.363   2.420   6.383 -1.4468 -2.2170 -1.1546
+ 1939SOL    HW2 7390   1.386   2.326   6.499  1.1313  0.3227  0.4577
+ 1940SOL     OW 7391   0.758   1.709   6.935  0.4225  1.0814 -0.1870
+ 1940SOL    HW1 7392   0.735   1.739   7.023 -2.6960 -0.6365 -0.3532
+ 1940SOL    HW2 7393   0.849   1.678   6.944  0.1612  0.9049  2.4374
+ 1941SOL     OW 7394   2.302   3.155   5.735  0.3415 -0.6209 -0.0859
+ 1941SOL    HW1 7395   2.322   3.062   5.726  1.2425 -0.2807 -1.9109
+ 1941SOL    HW2 7396   2.216   3.157   5.776  0.4038 -2.2510  0.1664
+ 1942SOL     OW 7397   0.251   1.699   6.124  0.5405 -0.0847 -0.7096
+ 1942SOL    HW1 7398   0.247   1.741   6.038 -0.4486  0.1072 -0.5729
+ 1942SOL    HW2 7399   0.183   1.742   6.175 -0.6321 -2.0056 -0.6282
+ 1943SOL     OW 7400   2.600   4.184   1.205 -0.0452  0.2674 -0.0447
+ 1943SOL    HW1 7401   2.651   4.104   1.195  1.1548  1.0958 -0.6346
+ 1943SOL    HW2 7402   2.605   4.204   1.299 -0.0771 -0.1675  0.0494
+ 1944SOL     OW 7403   1.042   4.111   6.730 -1.2730  0.0394  0.1707
+ 1944SOL    HW1 7404   1.051   4.038   6.792 -0.9978 -0.0125  0.0663
+ 1944SOL    HW2 7405   1.018   4.069   6.647  1.4508 -0.1453 -0.5427
+ 1945SOL     OW 7406   1.339   1.763   4.056 -0.1803 -0.3761  0.3603
+ 1945SOL    HW1 7407   1.286   1.835   4.090  0.0286 -0.9650  1.9650
+ 1945SOL    HW2 7408   1.351   1.784   3.963 -2.7871  0.0099  0.0681
+ 1946SOL     OW 7409   7.591   3.221   7.146  0.3761 -0.3741 -0.2434
+ 1946SOL    HW1 7410   7.663   3.161   7.162  1.3358  0.5605 -0.9984
+ 1946SOL    HW2 7411   7.622   3.279   7.076 -1.0895  0.0535 -0.5765
+ 1947SOL     OW 7412   2.187   3.188   7.917 -0.6323  0.3412 -0.5055
+ 1947SOL    HW1 7413   2.097   3.186   7.950 -1.0593  0.3544 -1.6504
+ 1947SOL    HW2 7414   2.180   3.157   7.827  0.6802 -0.8072 -0.2267
+ 1948SOL     OW 7415   0.913   0.952   6.073 -0.3454  0.5028  0.1286
+ 1948SOL    HW1 7416   0.981   1.002   6.117 -1.2180  0.0362  2.0638
+ 1948SOL    HW2 7417   0.877   1.011   6.007  1.5082  0.9449 -0.4972
+ 1949SOL     OW 7418   7.111   2.301   7.526 -0.3262 -0.4565 -0.2768
+ 1949SOL    HW1 7419   7.184   2.329   7.471  0.8603 -1.3915  0.7906
+ 1949SOL    HW2 7420   7.140   2.218   7.564 -1.6603 -0.4871  0.7226
+ 1950SOL     OW 7421   0.374   2.305   5.810 -0.2724  0.0158 -0.1107
+ 1950SOL    HW1 7422   0.450   2.256   5.778 -0.8885 -1.0456  0.0273
+ 1950SOL    HW2 7423   0.411   2.373   5.867  0.4800 -1.6494  1.4325
+ 1951SOL     OW 7424   6.986   3.250   6.232  0.2942  0.0964 -0.8264
+ 1951SOL    HW1 7425   6.971   3.320   6.295 -2.6717  0.2329 -1.6287
+ 1951SOL    HW2 7426   7.078   3.258   6.209  0.6946  1.9127  1.2383
+ 1952SOL     OW 7427   1.241   1.761   6.309 -0.1467  0.1909 -0.4799
+ 1952SOL    HW1 7428   1.178   1.718   6.251 -1.2346  0.3876  0.5397
+ 1952SOL    HW2 7429   1.323   1.759   6.260 -0.3589 -2.3115 -0.7980
+ 1953SOL     OW 7430   7.143   3.535   4.690  0.4775  0.3535  0.1530
+ 1953SOL    HW1 7431   7.199   3.607   4.720  0.8786 -0.6901  1.9609
+ 1953SOL    HW2 7432   7.071   3.532   4.753  0.2683 -0.5904 -0.1168
+ 1954SOL     OW 7433   2.505   3.995   6.693  0.3506  0.3034  0.1740
+ 1954SOL    HW1 7434   2.564   3.997   6.618  0.2535  0.8935  0.1117
+ 1954SOL    HW2 7435   2.468   4.083   6.697  1.1969  0.6147  1.5900
+ 1955SOL     OW 7436   1.105   3.008   6.949  0.2687 -0.2120  0.4180
+ 1955SOL    HW1 7437   1.029   2.950   6.941 -0.7220  1.0936  0.0584
+ 1955SOL    HW2 7438   1.116   3.021   7.043 -0.7544  0.5841  0.4437
+ 1956SOL     OW 7439   1.487   2.745   6.292 -0.0676 -0.9472  0.5662
+ 1956SOL    HW1 7440   1.524   2.710   6.373  1.9334 -0.6073 -0.1686
+ 1956SOL    HW2 7441   1.483   2.840   6.307 -3.8659 -1.2453  1.9045
+ 1957SOL     OW 7442   0.751   3.603   7.219 -0.0790  0.1994  0.2654
+ 1957SOL    HW1 7443   0.727   3.514   7.245 -1.1610  0.5473  0.4616
+ 1957SOL    HW2 7444   0.680   3.630   7.160  0.7201  0.5901 -0.5249
+ 1958SOL     OW 7445   0.770   3.814   6.565 -0.4971 -0.1804  0.1245
+ 1958SOL    HW1 7446   0.734   3.729   6.590 -1.0093 -0.1668 -0.5661
+ 1958SOL    HW2 7447   0.700   3.857   6.517 -0.6940  1.1593  1.5560
+ 1959SOL     OW 7448   2.001   3.457   6.479  0.3826 -0.0493 -0.0312
+ 1959SOL    HW1 7449   1.963   3.501   6.402  0.3652  0.9009  0.5226
+ 1959SOL    HW2 7450   2.079   3.414   6.445 -1.8490 -3.1525 -1.4911
+ 1960SOL     OW 7451   7.256   3.361   0.142 -0.5278  0.4557 -0.3195
+ 1960SOL    HW1 7452   7.313   3.435   0.161  0.1487 -0.3560  0.8679
+ 1960SOL    HW2 7453   7.285   3.330   0.056 -0.5683  1.3347 -0.6532
+ 1961SOL     OW 7454   1.059   1.358   7.390 -0.4056  0.5344 -0.4818
+ 1961SOL    HW1 7455   1.004   1.416   7.337 -0.2616  0.0253 -1.1848
+ 1961SOL    HW2 7456   1.018   1.358   7.476 -1.2352  0.5317 -0.8751
+ 1962SOL     OW 7457   1.615   3.982   5.208 -0.2648 -0.4315  0.7853
+ 1962SOL    HW1 7458   1.527   4.020   5.205  0.0518  0.2283 -0.8832
+ 1962SOL    HW2 7459   1.673   4.057   5.192  0.5877 -0.9288  1.5148
+ 1963SOL     OW 7460   1.433   2.888   5.948  0.2284  0.2796  0.2637
+ 1963SOL    HW1 7461   1.443   2.796   5.974  3.3151  0.1937 -0.9862
+ 1963SOL    HW2 7462   1.394   2.884   5.860 -1.4471  0.2584  0.9915
+ 1964SOL     OW 7463   1.363   2.691   4.135  0.1723 -0.3889  0.3389
+ 1964SOL    HW1 7464   1.359   2.730   4.047  0.8965 -0.5135  0.2477
+ 1964SOL    HW2 7465   1.296   2.624   4.134  1.1884 -1.4194 -0.6324
+ 1965SOL     OW 7466   7.796   1.281   5.319 -0.1645  0.3520  0.2688
+ 1965SOL    HW1 7467   7.704   1.299   5.298  0.0143 -0.2888 -1.1335
+ 1965SOL    HW2 7468   7.826   1.359   5.366 -0.7136  1.6502 -1.5053
+ 1966SOL     OW 7469   1.278   3.057   0.347  0.0670  0.3801  0.1504
+ 1966SOL    HW1 7470   1.232   3.127   0.392 -0.8560 -0.2840  0.2722
+ 1966SOL    HW2 7471   1.217   2.982   0.351  1.7787 -0.9569  1.5958
+ 1967SOL     OW 7472   1.353   2.937   6.600  0.6858  0.1353 -0.0457
+ 1967SOL    HW1 7473   1.274   2.987   6.622 -0.0149 -0.1469 -1.8530
+ 1967SOL    HW2 7474   1.375   2.965   6.511  2.2755 -0.2490  0.2190
+ 1968SOL     OW 7475   2.801   3.232   7.930  0.0713  0.1420  0.9125
+ 1968SOL    HW1 7476   2.807   3.136   7.938 -0.5792  0.0246  0.0848
+ 1968SOL    HW2 7477   2.761   3.246   7.844 -1.9957  1.0870  2.0008
+ 1969SOL     OW 7478   0.581   1.104   6.005 -0.0205  0.2079  0.1941
+ 1969SOL    HW1 7479   0.533   1.166   6.059  0.3438 -1.5973  2.6950
+ 1969SOL    HW2 7480   0.514   1.045   5.971  0.0021 -0.0057  0.5212
+ 1970SOL     OW 7481   1.140   2.155   6.466  0.2199  0.5296 -0.3190
+ 1970SOL    HW1 7482   1.206   2.225   6.465 -0.5342  1.2571  0.2929
+ 1970SOL    HW2 7483   1.082   2.177   6.393  0.7772 -0.2485 -1.0136
+ 1971SOL     OW 7484   1.355   3.306   6.782 -0.7102 -0.2468 -0.5804
+ 1971SOL    HW1 7485   1.317   3.280   6.866  0.3378 -0.2321 -0.0982
+ 1971SOL    HW2 7486   1.352   3.402   6.783  0.5623 -0.1992  0.0435
+ 1972SOL     OW 7487   1.602   2.586   6.495  0.6428  0.4613  0.3920
+ 1972SOL    HW1 7488   1.651   2.516   6.453 -2.9082 -1.4088 -0.8720
+ 1972SOL    HW2 7489   1.612   2.571   6.589 -0.2952 -1.9624  0.1338
+ 1973SOL     OW 7490   1.375   3.586   5.836  0.2760 -0.0592  0.2433
+ 1973SOL    HW1 7491   1.288   3.604   5.801  0.3581  0.8106  0.4896
+ 1973SOL    HW2 7492   1.367   3.499   5.876 -0.7244  0.3920  1.0496
+ 1974SOL     OW 7493   7.716   3.933   7.221 -0.1840  0.3585  0.3903
+ 1974SOL    HW1 7494   7.686   3.961   7.135  0.8254 -0.9614 -0.3916
+ 1974SOL    HW2 7495   7.644   3.957   7.280 -0.4368  2.2229 -0.6366
+ 1975SOL     OW 7496   1.963   2.710   4.428 -0.1947  0.8313 -0.0338
+ 1975SOL    HW1 7497   1.926   2.695   4.341 -1.0612  1.1445  0.2807
+ 1975SOL    HW2 7498   1.965   2.806   4.437  0.2560  0.8084  0.1401
+ 1976SOL     OW 7499   2.282   2.585   5.192 -0.1498 -0.4689  0.1648
+ 1976SOL    HW1 7500   2.255   2.538   5.271 -1.8671 -0.4978 -0.4105
+ 1976SOL    HW2 7501   2.272   2.521   5.121  1.9767 -0.6341 -0.0016
+ 1977SOL     OW 7502   0.772   2.537   5.297  0.5253 -0.4009  0.1481
+ 1977SOL    HW1 7503   0.800   2.473   5.232  0.8297 -0.6325  0.5019
+ 1977SOL    HW2 7504   0.809   2.505   5.380  1.1327  0.5059  0.2446
+ 1978SOL     OW 7505   2.874   1.560   5.037  0.0732  0.2222  0.4179
+ 1978SOL    HW1 7506   2.811   1.605   5.093  0.6270 -0.8493  1.9565
+ 1978SOL    HW2 7507   2.849   1.468   5.043  1.0338 -0.0659  0.0850
+ 1979SOL     OW 7508   0.457   4.538   7.245 -0.3316  0.3740 -0.5623
+ 1979SOL    HW1 7509   0.545   4.521   7.278 -0.4721  1.0281  0.1602
+ 1979SOL    HW2 7510   0.400   4.522   7.321 -0.8765 -0.4602 -1.1369
+ 1980SOL     OW 7511   1.437   3.407   0.959  0.8420 -0.4671  0.0847
+ 1980SOL    HW1 7512   1.419   3.319   0.992 -1.4748  0.2412  0.8926
+ 1980SOL    HW2 7513   1.394   3.410   0.874  1.3401 -0.2746 -0.1585
+ 1981SOL     OW 7514   1.802   0.694   7.982  0.3502  0.1554 -0.2728
+ 1981SOL    HW1 7515   1.750   0.623   8.019  2.7902 -1.1181  0.8185
+ 1981SOL    HW2 7516   1.769   0.705   7.893 -0.9827 -1.3944  0.0290
+ 1982SOL     OW 7517   6.895   2.080   4.871  0.0794 -0.1023 -0.0654
+ 1982SOL    HW1 7518   6.858   2.051   4.954  0.9215 -0.7151  0.1038
+ 1982SOL    HW2 7519   6.987   2.056   4.876  0.1915  0.0785 -1.0774
+ 1983SOL     OW 7520   1.204   3.897   5.424  0.1806 -0.1961  0.0616
+ 1983SOL    HW1 7521   1.246   3.972   5.466  1.9968 -1.3038  0.2488
+ 1983SOL    HW2 7522   1.246   3.820   5.463 -0.8631 -1.3079 -0.9549
+ 1984SOL     OW 7523   7.674   2.169   7.221  0.1797  0.1482  0.6707
+ 1984SOL    HW1 7524   7.718   2.133   7.144  0.1113 -1.4269  1.3454
+ 1984SOL    HW2 7525   7.670   2.263   7.205  2.4698  0.1594 -0.0828
+ 1985SOL     OW 7526   2.406   3.840   0.155  0.0714  0.7330  0.4163
+ 1985SOL    HW1 7527   2.345   3.885   0.096 -1.8914 -2.4546 -0.1499
+ 1985SOL    HW2 7528   2.357   3.829   0.236  0.7077  0.1487  0.7262
+ 1986SOL     OW 7529   7.276   4.028   5.917 -0.2099  0.2661  0.0579
+ 1986SOL    HW1 7530   7.249   3.939   5.894 -1.1484  0.7545 -0.7394
+ 1986SOL    HW2 7531   7.330   4.057   5.844  1.3055 -0.1719  0.9858
+ 1987SOL     OW 7532   6.413   3.323   6.648  0.1022  0.0709 -0.1602
+ 1987SOL    HW1 7533   6.476   3.385   6.684  0.3703 -0.4316  0.2582
+ 1987SOL    HW2 7534   6.457   3.238   6.656 -0.6168 -0.2821  0.1217
+ 1988SOL     OW 7535   1.571   3.853   0.614 -0.1996 -0.5422  0.7957
+ 1988SOL    HW1 7536   1.651   3.884   0.658 -1.1137  2.4154  0.5296
+ 1988SOL    HW2 7537   1.545   3.776   0.663  1.5785 -0.2217  2.3107
+ 1989SOL     OW 7538   0.465   2.563   6.204  0.2571  0.3562 -0.1910
+ 1989SOL    HW1 7539   0.514   2.483   6.223  0.2663  0.1957 -0.8822
+ 1989SOL    HW2 7540   0.399   2.568   6.274 -0.3682 -0.7728 -0.6791
+ 1990SOL     OW 7541   1.196   2.511   0.185 -1.3234  0.2579  0.0578
+ 1990SOL    HW1 7542   1.171   2.527   0.095 -0.1528  2.0337  0.0239
+ 1990SOL    HW2 7543   1.144   2.435   0.212 -0.4462 -1.3600 -2.6267
+ 1991SOL     OW 7544   7.983   3.848   7.115 -0.1265  0.3519  0.0252
+ 1991SOL    HW1 7545   7.933   3.923   7.149  0.5676  1.4980 -1.4333
+ 1991SOL    HW2 7546   8.074   3.878   7.116  0.4135 -1.2521  1.4176
+ 1992SOL     OW 7547   1.599   2.847   5.053 -0.0536  0.3573 -0.0831
+ 1992SOL    HW1 7548   1.508   2.871   5.038  0.3654  0.6135 -2.3464
+ 1992SOL    HW2 7549   1.607   2.758   5.019 -0.2514 -1.0386  3.2761
+ 1993SOL     OW 7550   1.095   4.233   0.245 -0.0839  0.2574  0.7889
+ 1993SOL    HW1 7551   1.176   4.191   0.275  0.9852  1.2087 -0.7321
+ 1993SOL    HW2 7552   1.067   4.181   0.170  0.8325  1.7582 -0.6252
+ 1994SOL     OW 7553   0.596   2.199   5.313  0.1196  0.1685  0.2459
+ 1994SOL    HW1 7554   0.524   2.147   5.278  0.1537 -1.2975  2.2672
+ 1994SOL    HW2 7555   0.554   2.272   5.357 -0.0699 -0.0088  0.3568
+ 1995SOL     OW 7556   2.253   2.187   5.542  0.1696 -0.0250 -0.0016
+ 1995SOL    HW1 7557   2.339   2.147   5.527 -0.0339 -0.0049 -1.2403
+ 1995SOL    HW2 7558   2.259   2.273   5.502 -1.2993 -1.0338 -2.5254
+ 1996SOL     OW 7559   2.567   2.470   5.325 -0.8581 -0.6385  0.2693
+ 1996SOL    HW1 7560   2.472   2.463   5.309 -0.7379  0.0488 -0.7082
+ 1996SOL    HW2 7561   2.573   2.519   5.407 -1.2806  1.7650 -1.1082
+ 1997SOL     OW 7562   2.448   1.796   5.426 -0.3402 -0.3749 -0.0673
+ 1997SOL    HW1 7563   2.418   1.708   5.451  1.6639 -1.2697 -0.6598
+ 1997SOL    HW2 7564   2.387   1.823   5.357 -1.0548 -1.2587  0.2061
+ 1998SOL     OW 7565   1.335   4.003   7.310  0.2484 -0.5026  0.0823
+ 1998SOL    HW1 7566   1.292   4.075   7.355 -0.4537 -0.3323 -0.8428
+ 1998SOL    HW2 7567   1.408   4.044   7.264  1.9391 -0.9157  2.3147
+ 1999SOL     OW 7568   1.682   2.913   6.871  0.3561  0.2630  0.4375
+ 1999SOL    HW1 7569   1.653   3.002   6.888  1.6411  0.4989  1.4039
+ 1999SOL    HW2 7570   1.663   2.899   6.778  1.7322  2.1441 -0.1463
+ 2000SOL     OW 7571   0.880   2.200   6.223  0.4128 -1.0099  0.4954
+ 2000SOL    HW1 7572   0.849   2.150   6.148 -0.9568  1.5185 -0.6980
+ 2000SOL    HW2 7573   0.965   2.235   6.195 -0.0867 -0.0867  0.1121
+ 2001SOL     OW 7574   1.239   3.205   6.276  0.0387 -0.1831 -0.1352
+ 2001SOL    HW1 7575   1.311   3.243   6.226 -0.4950  0.4207 -0.4606
+ 2001SOL    HW2 7576   1.275   3.191   6.364  0.7489 -0.5193 -0.4746
+ 2002SOL     OW 7577   1.103   0.716   5.585 -0.4452 -0.0917 -0.2683
+ 2002SOL    HW1 7578   1.010   0.731   5.568 -0.6048 -0.5053  0.2403
+ 2002SOL    HW2 7579   1.107   0.687   5.676  0.3034  1.0457  0.0691
+ 2003SOL     OW 7580   1.825   2.434   3.967  0.4412  0.2830 -0.2453
+ 2003SOL    HW1 7581   1.778   2.512   3.938  0.5229  0.4118 -0.0313
+ 2003SOL    HW2 7582   1.917   2.453   3.949  0.3312 -0.3513 -1.5461
+ 2004SOL     OW 7583   1.342   4.115   6.879  0.2958 -0.3054 -0.0671
+ 2004SOL    HW1 7584   1.316   4.025   6.860  0.6729 -0.3535 -0.3723
+ 2004SOL    HW2 7585   1.349   4.118   6.974 -0.8825 -0.2728  0.0297
+ 2005SOL     OW 7586   1.413   2.361   5.489  0.0730 -0.2842 -0.0636
+ 2005SOL    HW1 7587   1.500   2.378   5.524 -0.2293  0.6883  0.2073
+ 2005SOL    HW2 7588   1.428   2.331   5.399  0.5134  3.2224 -1.2243
+ 2006SOL     OW 7589   2.446   2.707   6.421 -0.3938 -0.2072  0.2897
+ 2006SOL    HW1 7590   2.357   2.740   6.435 -0.6587 -1.3318  1.2945
+ 2006SOL    HW2 7591   2.442   2.664   6.335 -1.2562 -1.6947  1.0587
+ 2007SOL     OW 7592   0.853   4.263   5.091  0.5348  0.4532 -0.4201
+ 2007SOL    HW1 7593   0.826   4.302   5.174  1.2774  0.1605 -0.0319
+ 2007SOL    HW2 7594   0.892   4.179   5.116 -2.2221 -1.1370 -1.3473
+ 2008SOL     OW 7595   1.998   4.940   7.794  0.9345 -0.4775  0.0996
+ 2008SOL    HW1 7596   1.962   4.861   7.834  1.3548 -0.4002  0.6447
+ 2008SOL    HW2 7597   1.922   4.990   7.764  0.6606 -0.9737 -0.0301
+ 2009SOL     OW 7598   2.381   1.295   6.583  0.0381 -0.5608  0.2932
+ 2009SOL    HW1 7599   2.450   1.228   6.587  1.9173  1.4421  3.0948
+ 2009SOL    HW2 7600   2.332   1.283   6.664 -0.0832  0.9481  0.4522
+ 2010SOL     OW 7601   0.295   1.174   6.026  0.1136  0.0161  0.4690
+ 2010SOL    HW1 7602   0.327   1.097   5.979 -3.6672 -0.3698 -1.7008
+ 2010SOL    HW2 7603   0.303   1.246   5.963  0.2445  0.6727  1.2260
+ 2011SOL     OW 7604   0.863   5.230   5.312  0.2069 -0.3804  0.1546
+ 2011SOL    HW1 7605   0.902   5.235   5.225 -0.9908  0.8493 -0.3150
+ 2011SOL    HW2 7606   0.778   5.187   5.298 -0.4896  0.8598  0.5386
+ 2012SOL     OW 7607   0.829   3.394   5.095 -0.0583  0.0842  0.2668
+ 2012SOL    HW1 7608   0.796   3.310   5.126 -0.9931  0.4222  0.1960
+ 2012SOL    HW2 7609   0.750   3.447   5.079  0.4875  0.6593 -0.5585
+ 2013SOL     OW 7610   0.317   3.986   5.904 -0.1351  0.0258  0.2727
+ 2013SOL    HW1 7611   0.307   4.018   5.994  0.3516  0.3138  0.2235
+ 2013SOL    HW2 7612   0.251   4.035   5.854  0.0656  0.3715  0.3441
+ 2014SOL     OW 7613   0.735   5.654   5.631  0.3780  0.2337 -0.0858
+ 2014SOL    HW1 7614   0.787   5.594   5.577 -2.7837 -0.8725 -1.9811
+ 2014SOL    HW2 7615   0.682   5.597   5.687 -0.4337  1.3003  0.2506
+ 2015SOL     OW 7616   1.071   4.449   6.096 -0.1819  0.4281  0.4620
+ 2015SOL    HW1 7617   1.110   4.472   6.180  0.0497  0.8761  0.2367
+ 2015SOL    HW2 7618   1.118   4.503   6.032 -0.9537  0.7449  0.1507
+ 2016SOL     OW 7619   2.124   1.833   6.945 -0.2483 -0.2031  0.1022
+ 2016SOL    HW1 7620   2.031   1.819   6.929 -0.9931  2.3795  1.9499
+ 2016SOL    HW2 7621   2.150   1.756   6.997 -1.9326  0.2251  1.6435
+ 2017SOL     OW 7622   0.140   2.262   6.074 -0.2346  0.4680 -0.1083
+ 2017SOL    HW1 7623   0.152   2.183   6.126  1.6441  1.4085  0.9412
+ 2017SOL    HW2 7624   0.070   2.310   6.118 -2.3180 -1.2296 -1.5284
+ 2018SOL     OW 7625   2.445   3.483   7.259 -0.2349 -0.2236 -0.3353
+ 2018SOL    HW1 7626   2.483   3.395   7.248  0.8733  0.2627 -0.4295
+ 2018SOL    HW2 7627   2.361   3.467   7.302  0.1487 -1.3039  0.0375
+ 2019SOL     OW 7628   1.834   4.495   5.602  0.1235  0.6549  0.2139
+ 2019SOL    HW1 7629   1.917   4.540   5.587 -1.3431  2.9671 -1.4960
+ 2019SOL    HW2 7630   1.810   4.519   5.692  2.0101 -1.3225  1.2853
+ 2020SOL     OW 7631   1.999   2.883   7.782 -0.1467  0.3982 -0.0531
+ 2020SOL    HW1 7632   2.054   2.859   7.857 -0.9432 -0.7531  0.1804
+ 2020SOL    HW2 7633   1.919   2.832   7.794  0.2517 -0.8497 -2.4025
+ 2021SOL     OW 7634   1.031   2.971   7.209  0.0263 -0.2060 -0.6751
+ 2021SOL    HW1 7635   0.964   3.035   7.233  0.0253 -0.1431 -0.8461
+ 2021SOL    HW2 7636   1.011   2.894   7.262 -0.2446 -0.2229 -0.8021
+ 2022SOL     OW 7637   7.888   2.297   7.564  0.0518 -0.2271  0.6946
+ 2022SOL    HW1 7638   7.895   2.235   7.491 -0.5469 -1.1813  1.4207
+ 2022SOL    HW2 7639   7.944   2.260   7.632  0.2987  0.4481  0.8617
+ 2023SOL     OW 7640   0.964   4.127   0.653  0.1653  0.0358  0.1717
+ 2023SOL    HW1 7641   0.884   4.154   0.698 -0.4906 -1.2721 -0.1904
+ 2023SOL    HW2 7642   0.957   4.166   0.565 -0.4561 -0.7231 -0.1223
+ 2024SOL     OW 7643   0.283   1.390   5.881 -0.3109  0.3789  0.3511
+ 2024SOL    HW1 7644   0.332   1.458   5.927 -1.8852  1.1470  0.9344
+ 2024SOL    HW2 7645   0.202   1.434   5.852 -0.1807 -0.5599 -1.5461
+ 2025SOL     OW 7646   1.235   2.495   6.076  0.1071 -0.5282 -0.1095
+ 2025SOL    HW1 7647   1.240   2.514   6.170  0.9662 -0.7586 -0.1022
+ 2025SOL    HW2 7648   1.323   2.513   6.044 -0.0150 -1.0874 -0.7534
+ 2026SOL     OW 7649   0.011   2.609   6.245  0.5786  0.0538  0.0166
+ 2026SOL    HW1 7650  -0.064   2.591   6.301  1.7365 -1.5897  1.0770
+ 2026SOL    HW2 7651  -0.009   2.565   6.162 -0.6955  1.6636 -0.5493
+ 2027SOL     OW 7652   1.313   3.696   5.134 -0.1867  0.1493 -0.0074
+ 2027SOL    HW1 7653   1.325   3.791   5.144  1.2070 -0.0202  0.0775
+ 2027SOL    HW2 7654   1.293   3.665   5.223 -1.1088  0.4287 -0.1192
+ 2028SOL     OW 7655   2.199   2.506   6.279 -0.6140  0.5952  0.3368
+ 2028SOL    HW1 7656   2.278   2.482   6.327  0.3421  1.9645 -0.5396
+ 2028SOL    HW2 7657   2.128   2.496   6.343  0.3465  0.1543  1.3517
+ 2029SOL     OW 7658   1.740   4.253   7.155 -0.7094  0.1353 -0.1147
+ 2029SOL    HW1 7659   1.777   4.310   7.223 -3.2428  0.8217  0.7380
+ 2029SOL    HW2 7660   1.777   4.167   7.173  0.7048  0.8605  0.5205
+ 2030SOL     OW 7661   1.515   2.134   6.277 -0.4799 -0.0816 -0.5091
+ 2030SOL    HW1 7662   1.483   2.217   6.313  0.3669 -0.0834  0.2628
+ 2030SOL    HW2 7663   1.456   2.115   6.204 -1.2864  0.6978 -0.0675
+ 2031SOL     OW 7664   2.129   3.463   7.347  0.2049  0.2139 -0.0206
+ 2031SOL    HW1 7665   2.087   3.431   7.427 -0.5488  0.2790 -0.3860
+ 2031SOL    HW2 7666   2.056   3.490   7.291  0.7477  0.5473 -0.5698
+ 2032SOL     OW 7667   0.982   4.012   6.492  0.0088 -0.3229 -0.0691
+ 2032SOL    HW1 7668   0.910   3.950   6.500  1.9945 -2.7696 -0.5199
+ 2032SOL    HW2 7669   1.039   3.974   6.425  1.1811  2.1077 -0.5023
+ 2033SOL     OW 7670   2.553   2.090   6.535 -0.4494 -0.1384  0.3029
+ 2033SOL    HW1 7671   2.519   2.065   6.449 -0.3059 -0.2892  0.2915
+ 2033SOL    HW2 7672   2.528   2.017   6.592  0.0414 -0.3423  0.2527
+ 2034SOL     OW 7673   2.596   2.550   7.861 -0.3929  0.0476  0.1810
+ 2034SOL    HW1 7674   2.636   2.488   7.922  1.8489  1.5608  0.2813
+ 2034SOL    HW2 7675   2.575   2.626   7.915 -2.6556 -0.3594 -0.0543
+ 2035SOL     OW 7676   1.643   1.627   4.359 -0.0573  0.1019 -0.1988
+ 2035SOL    HW1 7677   1.613   1.705   4.311 -2.9855 -1.3288 -0.7589
+ 2035SOL    HW2 7678   1.599   1.632   4.443  0.0327 -0.7879 -0.0977
+ 2036SOL     OW 7679   3.188   4.071   7.408  0.1298 -0.1741  0.3623
+ 2036SOL    HW1 7680   3.134   4.056   7.486 -1.0303 -2.5037 -0.8303
+ 2036SOL    HW2 7681   3.253   4.000   7.411  0.4489  0.0812 -0.4848
+ 2037SOL     OW 7682   2.137   2.766   6.770 -0.0777 -0.6945 -0.1732
+ 2037SOL    HW1 7683   2.090   2.805   6.843 -1.2629  0.1155 -1.3404
+ 2037SOL    HW2 7684   2.226   2.802   6.777 -0.6213  0.6385 -0.0653
+ 2038SOL     OW 7685   2.063   4.048   5.110 -0.5290 -0.0777  0.3680
+ 2038SOL    HW1 7686   2.019   4.065   5.193 -1.2107  0.0420 -0.0178
+ 2038SOL    HW2 7687   2.138   3.992   5.133 -1.1035 -0.6057  0.9722
+ 2039SOL     OW 7688   0.191   5.665   6.355 -0.2903 -0.4646  1.0549
+ 2039SOL    HW1 7689   0.198   5.646   6.449 -0.6626 -1.0393  0.9673
+ 2039SOL    HW2 7690   0.117   5.612   6.325 -0.6881  0.3437  0.5970
+ 2040SOL     OW 7691   2.830   3.045   4.818  0.2207  0.1200 -0.0193
+ 2040SOL    HW1 7692   2.819   2.958   4.856 -1.0427 -0.5701 -1.8752
+ 2040SOL    HW2 7693   2.751   3.093   4.845  0.5676  0.4674  0.3900
+ 2041SOL     OW 7694   7.239   3.250   4.383  0.2411 -0.1966 -0.2695
+ 2041SOL    HW1 7695   7.314   3.302   4.356  0.2087 -0.4159 -0.7899
+ 2041SOL    HW2 7696   7.180   3.312   4.426  0.6253  0.0152 -0.0503
+ 2042SOL     OW 7697   0.534   0.348   7.173  0.5022 -0.4335 -0.4019
+ 2042SOL    HW1 7698   0.602   0.289   7.140 -0.3091 -1.4764 -0.2051
+ 2042SOL    HW2 7699   0.456   0.328   7.121 -0.0182 -0.1529  0.2659
+ 2043SOL     OW 7700   0.785   2.468   7.580 -0.1295  0.4350 -0.1937
+ 2043SOL    HW1 7701   0.813   2.398   7.639 -0.7837 -0.0915 -0.5122
+ 2043SOL    HW2 7702   0.797   2.432   7.492 -1.7862  0.2138 -0.3367
+ 2044SOL     OW 7703   0.307   2.613   5.075  0.1745 -0.5955 -0.4726
+ 2044SOL    HW1 7704   0.342   2.618   4.987  0.9989  0.2748 -0.1136
+ 2044SOL    HW2 7705   0.286   2.704   5.097 -1.3894 -0.9945 -0.3189
+ 2045SOL     OW 7706   1.143   4.391   0.861 -0.4950  0.1157  0.0127
+ 2045SOL    HW1 7707   1.070   4.389   0.922 -0.4622  1.5228  0.1130
+ 2045SOL    HW2 7708   1.201   4.460   0.894  0.0009  0.2294 -1.0590
+ 2046SOL     OW 7709   7.322   1.488   0.126  0.1493 -0.9558 -0.1225
+ 2046SOL    HW1 7710   7.277   1.405   0.145 -1.0479 -1.1209 -3.3721
+ 2046SOL    HW2 7711   7.388   1.466   0.062  1.4594  0.2279  0.7861
+ 2047SOL     OW 7712   3.117   2.151   5.856  0.2986  0.2827 -0.0197
+ 2047SOL    HW1 7713   3.056   2.129   5.786 -1.8066  1.7862  1.2830
+ 2047SOL    HW2 7714   3.089   2.098   5.931  1.9204 -0.5769  0.0127
+ 2048SOL     OW 7715   3.297   2.872   5.902 -0.1146  0.8185 -0.1905
+ 2048SOL    HW1 7716   3.350   2.802   5.940  0.0817  0.6924 -0.6939
+ 2048SOL    HW2 7717   3.209   2.836   5.897 -0.4453  1.3534  1.5122
+ 2049SOL     OW 7718   1.681   1.275   5.615  0.2117  0.2703  0.0823
+ 2049SOL    HW1 7719   1.688   1.201   5.555 -1.2935 -2.4431  3.0364
+ 2049SOL    HW2 7720   1.588   1.278   5.638  0.9230  0.4032  3.1765
+ 2050SOL     OW 7721   1.295   2.343   6.663  0.1795 -0.2437  0.0083
+ 2050SOL    HW1 7722   1.229   2.285   6.702  0.1397  0.4830  1.0585
+ 2050SOL    HW2 7723   1.367   2.343   6.726 -0.1582  1.4723  0.4506
+ 2051SOL     OW 7724   1.072   1.290   6.371 -0.9837  0.5726  0.3193
+ 2051SOL    HW1 7725   1.081   1.294   6.466 -1.6629 -0.7564  0.4429
+ 2051SOL    HW2 7726   0.981   1.265   6.356 -0.4380 -0.8624 -0.6470
+ 2052SOL     OW 7727   0.812   2.906   0.413 -0.0207 -0.1682  0.0587
+ 2052SOL    HW1 7728   0.818   2.917   0.508  1.0528 -1.2272  0.1287
+ 2052SOL    HW2 7729   0.719   2.911   0.393 -0.1930  0.7319  1.0861
+ 2053SOL     OW 7730   2.102   1.092   4.660 -0.5331 -0.3234  0.0207
+ 2053SOL    HW1 7731   2.165   1.019   4.660 -3.4660 -2.9865  1.3558
+ 2053SOL    HW2 7732   2.095   1.117   4.753 -2.4680 -1.0431  0.0893
+ 2054SOL     OW 7733   2.941   3.788   6.023  0.4335 -0.1469 -0.0931
+ 2054SOL    HW1 7734   3.029   3.757   6.043  0.6170 -1.9017 -3.2364
+ 2054SOL    HW2 7735   2.945   3.815   5.931 -1.6057  2.4349  0.5085
+ 2055SOL     OW 7736   2.500   1.916   7.706  0.4758  0.0304 -0.3394
+ 2055SOL    HW1 7737   2.489   1.973   7.783  0.5680 -0.1735 -0.1741
+ 2055SOL    HW2 7738   2.412   1.888   7.684  0.6320 -1.4916  0.8945
+ 2056SOL     OW 7739   2.713   3.680   4.678 -0.1240  0.1765  0.2926
+ 2056SOL    HW1 7740   2.656   3.725   4.616  0.3169 -1.0159 -1.0212
+ 2056SOL    HW2 7741   2.672   3.594   4.690  1.3778 -0.7247 -0.7121
+ 2057SOL     OW 7742   2.263   0.857   7.794 -0.0802 -0.6860  0.2994
+ 2057SOL    HW1 7743   2.262   0.765   7.821  1.1359 -0.7311  0.2022
+ 2057SOL    HW2 7744   2.191   0.863   7.731 -1.1322 -1.2204  1.4139
+ 2058SOL     OW 7745   7.746   3.735   4.515 -0.2018  0.0619  0.2336
+ 2058SOL    HW1 7746   7.762   3.754   4.423  2.2212  1.9173  0.9920
+ 2058SOL    HW2 7747   7.794   3.653   4.531  2.5575  1.6882  0.6821
+ 2059SOL     OW 7748   2.344   3.827   6.840 -0.3832  0.6184 -0.0879
+ 2059SOL    HW1 7749   2.409   3.778   6.890 -1.6181 -0.9907 -0.0155
+ 2059SOL    HW2 7750   2.390   3.856   6.762  1.1810  1.9236  1.2715
+ 2060SOL     OW 7751   6.098   2.222   7.088 -0.1446  0.3341  0.3805
+ 2060SOL    HW1 7752   6.175   2.278   7.088 -0.0817  0.2483  0.7897
+ 2060SOL    HW2 7753   6.118   2.153   7.152  0.3392 -0.9253 -1.0964
+ 2061SOL     OW 7754   2.799   1.735   0.094  0.3045  0.0851  0.1657
+ 2061SOL    HW1 7755   2.813   1.821   0.134  0.6753 -0.1381  0.5265
+ 2061SOL    HW2 7756   2.710   1.711   0.119 -0.9584  1.7437 -2.5538
+ 2062SOL     OW 7757   0.612   3.822   0.168 -0.2452  0.1084  0.0243
+ 2062SOL    HW1 7758   0.625   3.765   0.092  2.1379 -0.6388  0.9569
+ 2062SOL    HW2 7759   0.589   3.763   0.239  0.4503  0.5126  0.5797
+ 2063SOL     OW 7760   7.885   3.286   7.677 -0.1272 -0.3236  0.0515
+ 2063SOL    HW1 7761   7.871   3.369   7.723  2.0364 -0.1275  0.3981
+ 2063SOL    HW2 7762   7.897   3.222   7.747  2.5468 -0.1362 -0.1873
+ 2064SOL     OW 7763   2.550   2.431   7.146 -0.1672  0.2300 -0.4536
+ 2064SOL    HW1 7764   2.629   2.431   7.092 -0.9217 -0.2489 -1.5932
+ 2064SOL    HW2 7765   2.482   2.463   7.087 -1.1716 -1.0919 -0.0357
+ 2065SOL     OW 7766   2.351   3.672   1.455  0.2343  0.0318 -0.3327
+ 2065SOL    HW1 7767   2.415   3.725   1.504 -1.0906 -0.0376  1.5480
+ 2065SOL    HW2 7768   2.401   3.635   1.382  1.9625  1.2286  0.2018
+ 2066SOL     OW 7769   0.117   4.330   7.989  0.3174  0.3582 -0.3273
+ 2066SOL    HW1 7770   0.158   4.245   8.005 -0.0979  0.1659 -0.2755
+ 2066SOL    HW2 7771   0.052   4.339   8.059  0.1847  0.6055 -0.4812
+ 2067SOL     OW 7772   1.876   3.119   3.162  0.0351  0.2280  0.5397
+ 2067SOL    HW1 7773   1.906   3.053   3.100 -0.7538 -0.8127  1.2432
+ 2067SOL    HW2 7774   1.808   3.167   3.115 -0.9858 -0.9514  0.7793
+ 2068SOL     OW 7775   0.851   2.383   5.845 -0.5384  0.3544  0.7459
+ 2068SOL    HW1 7776   0.791   2.443   5.890  0.6552 -0.0636  2.9465
+ 2068SOL    HW2 7777   0.932   2.432   5.837 -0.7460  0.4359 -1.0398
+ 2069SOL     OW 7778   0.607   2.694   0.364 -0.1801 -0.0183  0.1898
+ 2069SOL    HW1 7779   0.593   2.706   0.270 -1.2750  1.1580  0.4788
+ 2069SOL    HW2 7780   0.684   2.639   0.370  1.2602  1.7360 -1.3906
+ 2070SOL     OW 7781   3.475   1.730   6.962  0.3881 -0.4285 -0.1481
+ 2070SOL    HW1 7782   3.450   1.822   6.965  1.2161 -0.0381 -3.3120
+ 2070SOL    HW2 7783   3.427   1.689   7.034 -0.4836  2.3433  0.8913
+ 2071SOL     OW 7784   7.733   1.764   0.394  0.1846 -0.3879  0.3197
+ 2071SOL    HW1 7785   7.822   1.786   0.367 -0.3084  1.2981 -0.0371
+ 2071SOL    HW2 7786   7.731   1.784   0.487 -0.3670  1.5949 -0.0759
+ 2072SOL     OW 7787   0.744   4.100   6.060 -0.2650  0.1229  0.0874
+ 2072SOL    HW1 7788   0.676   4.068   6.000 -0.2702 -1.2000  0.7622
+ 2072SOL    HW2 7789   0.697   4.156   6.121  0.0458  2.9793 -2.2164
+ 2073SOL     OW 7790   1.350   2.608   7.504 -0.0806  0.2636 -0.5428
+ 2073SOL    HW1 7791   1.382   2.555   7.431  1.7956  0.1033  0.3691
+ 2073SOL    HW2 7792   1.289   2.551   7.550  0.7666 -0.5790 -0.4426
+ 2074SOL     OW 7793   2.063   2.454   5.610  0.6521  0.0017 -0.1512
+ 2074SOL    HW1 7794   2.031   2.401   5.683  1.6520  1.4720  1.3967
+ 2074SOL    HW2 7795   1.992   2.450   5.546  0.2150 -2.2018  0.4259
+ 2075SOL     OW 7796   2.047   1.929   0.804  0.1415 -0.2620  0.4278
+ 2075SOL    HW1 7797   2.002   1.939   0.720 -2.8746 -0.2574  1.9770
+ 2075SOL    HW2 7798   2.074   1.837   0.806  1.4559  0.0802 -1.1181
+ 2076SOL     OW 7799   2.028   3.606   7.743  0.3316 -0.3304 -0.3296
+ 2076SOL    HW1 7800   2.065   3.695   7.742 -1.2474  0.3315 -0.7531
+ 2076SOL    HW2 7801   2.047   3.573   7.831 -2.7026  1.9864  1.2649
+ 2077SOL     OW 7802   3.001   3.137   0.960 -0.5173 -0.0921 -0.1703
+ 2077SOL    HW1 7803   3.070   3.151   0.895  0.7944  3.2002  1.8100
+ 2077SOL    HW2 7804   3.039   3.074   1.022  0.1837  0.6123  0.1272
+ 2078SOL     OW 7805   7.798   2.756   7.411 -0.0885 -0.2376 -0.0666
+ 2078SOL    HW1 7806   7.835   2.843   7.421 -0.7416  0.1654 -1.1618
+ 2078SOL    HW2 7807   7.716   2.769   7.364 -1.4404 -1.1648  1.9647
+ 2079SOL     OW 7808   0.965   4.540   7.477  0.3027  0.4835  0.3543
+ 2079SOL    HW1 7809   0.903   4.490   7.530 -0.0272  0.3172 -0.1865
+ 2079SOL    HW2 7810   1.026   4.577   7.541 -0.9394  1.4929  1.0005
+ 2080SOL     OW 7811   1.391   3.768   0.427  0.1871 -0.6117 -0.4674
+ 2080SOL    HW1 7812   1.379   3.815   0.345 -2.0235 -0.4308 -0.0772
+ 2080SOL    HW2 7813   1.478   3.794   0.458  0.4985  0.3099 -2.0887
+ 2081SOL     OW 7814   2.185   2.845   6.503 -0.2130 -0.4563 -0.0500
+ 2081SOL    HW1 7815   2.163   2.935   6.479  1.7212 -0.1564 -0.8535
+ 2081SOL    HW2 7816   2.125   2.823   6.573 -0.7961  1.4362  0.0646
+ 2082SOL     OW 7817   6.187   4.132   7.329  0.0169 -0.2666 -0.1776
+ 2082SOL    HW1 7818   6.269   4.118   7.375 -0.7887 -0.6634  1.1662
+ 2082SOL    HW2 7819   6.183   4.226   7.315 -0.8163  0.1711  2.6799
+ 2083SOL     OW 7820   2.921   3.236   7.190  0.4489  0.3640  0.0409
+ 2083SOL    HW1 7821   2.836   3.197   7.210  1.5605 -1.8989  0.5444
+ 2083SOL    HW2 7822   2.918   3.251   7.095 -0.0186 -1.0203 -0.1880
+ 2084SOL     OW 7823   1.073   1.969   0.264  0.3998  0.1288 -0.3422
+ 2084SOL    HW1 7824   1.145   1.909   0.284 -0.8386 -1.2699  0.0261
+ 2084SOL    HW2 7825   1.038   1.937   0.181  0.5294  1.1150 -0.7792
+ 2085SOL     OW 7826   0.318   3.065   2.623 -0.0583 -0.8069 -0.1561
+ 2085SOL    HW1 7827   0.345   3.136   2.682  0.9774 -1.0733 -0.3043
+ 2085SOL    HW2 7828   0.325   3.104   2.535  0.2152 -0.9934 -0.2171
+ 2086SOL     OW 7829   1.566   4.140   0.479 -0.1228 -0.5076 -0.3853
+ 2086SOL    HW1 7830   1.617   4.064   0.449  0.9518  0.2529 -0.5159
+ 2086SOL    HW2 7831   1.504   4.104   0.543 -0.0070 -1.5787 -0.8598
+ 2087SOL     OW 7832   7.563   2.216   0.205  0.3433 -0.1692 -0.3422
+ 2087SOL    HW1 7833   7.654   2.207   0.234  0.3227  0.3543 -0.1122
+ 2087SOL    HW2 7834   7.516   2.248   0.282 -0.1926 -1.2079 -0.2253
+ 2088SOL     OW 7835   0.696   1.994   1.250  0.2970  0.5566  0.1028
+ 2088SOL    HW1 7836   0.704   2.033   1.163  0.0181 -0.0185 -0.1844
+ 2088SOL    HW2 7837   0.643   2.057   1.300  1.4425  1.4480  0.2070
+ 2089SOL     OW 7838   3.060   3.288   5.937 -0.0915  0.0958  0.4454
+ 2089SOL    HW1 7839   3.140   3.274   5.887  0.4106 -1.0514  1.5526
+ 2089SOL    HW2 7840   3.021   3.201   5.945 -0.8823  0.4821  0.8639
+ 2090SOL     OW 7841   2.211   2.405   6.022  0.1317 -0.1464 -0.2177
+ 2090SOL    HW1 7842   2.207   2.446   6.109  0.7040  0.0459 -0.2828
+ 2090SOL    HW2 7843   2.265   2.327   6.036  0.7186  0.2001 -0.5243
+ 2091SOL     OW 7844   0.874   2.369   0.987  0.0124 -0.0338 -0.3345
+ 2091SOL    HW1 7845   0.868   2.443   1.046  0.1743 -1.5634  1.6634
+ 2091SOL    HW2 7846   0.786   2.362   0.949  0.1862  1.5664 -1.0469
+ 2092SOL     OW 7847   0.642   3.288   7.900  0.4393  0.1224 -0.6469
+ 2092SOL    HW1 7848   0.719   3.232   7.905 -0.9220 -1.6248  2.3318
+ 2092SOL    HW2 7849   0.612   3.280   7.810  1.7860 -1.9255 -0.9386
+ 2093SOL     OW 7850   0.446   2.424   0.312 -0.6021 -0.0762 -0.0756
+ 2093SOL    HW1 7851   0.480   2.513   0.316  0.3417 -0.4404  0.1394
+ 2093SOL    HW2 7852   0.418   2.404   0.401 -2.0819  0.4888 -0.4050
+ 2094SOL     OW 7853   0.427   4.156   0.766 -0.1787  0.0889  0.0113
+ 2094SOL    HW1 7854   0.337   4.175   0.791  0.3703  1.3925  1.0499
+ 2094SOL    HW2 7855   0.435   4.191   0.677 -0.5261  0.4750  0.1313
+ 2095SOL     OW 7856   0.653   3.605   6.836  0.1493  0.6278 -0.8595
+ 2095SOL    HW1 7857   0.605   3.630   6.915  0.2330  0.2357 -0.6843
+ 2095SOL    HW2 7858   0.594   3.626   6.764 -0.3664 -0.0483 -0.6359
+ 2096SOL     OW 7859   1.937   2.275   6.095  0.3108  0.0185  0.1601
+ 2096SOL    HW1 7860   2.010   2.216   6.114  0.2239 -0.1659 -0.0845
+ 2096SOL    HW2 7861   1.974   2.343   6.040  0.5594  0.5432  0.9778
+ 2097SOL     OW 7862   1.900   0.425   7.260 -0.1621 -0.5087 -0.0989
+ 2097SOL    HW1 7863   1.864   0.422   7.348 -1.4371  1.1609 -0.5499
+ 2097SOL    HW2 7864   1.980   0.476   7.269 -0.1073 -0.6349  0.1451
+ 2098SOL     OW 7865   1.669   2.194   7.630  0.7380 -0.4695 -0.0231
+ 2098SOL    HW1 7866   1.648   2.231   7.715  3.4443  1.3400 -0.0821
+ 2098SOL    HW2 7867   1.626   2.108   7.630 -0.4517  0.0701  2.5843
+ 2099SOL     OW 7868   1.704   2.043   0.283 -0.2068  0.2156 -0.4531
+ 2099SOL    HW1 7869   1.690   2.128   0.241  1.8322 -0.1523 -2.0023
+ 2099SOL    HW2 7870   1.786   2.011   0.245  0.0807 -1.5677  1.5615
+ 2100SOL     OW 7871   1.165   3.662   0.059  0.3969  0.0512  0.2337
+ 2100SOL    HW1 7872   1.212   3.745   0.050  1.6110 -0.4459  1.8026
+ 2100SOL    HW2 7873   1.234   3.596   0.059 -0.5764 -0.9944 -1.2120
+ 2101SOL     OW 7874   7.914   4.118   6.644 -0.3259 -0.7425  0.6184
+ 2101SOL    HW1 7875   7.840   4.137   6.701  0.1571 -1.2915  1.4401
+ 2101SOL    HW2 7876   7.899   4.029   6.613  0.8391 -1.4938  2.1435
+ 2102SOL     OW 7877   0.645   2.403   5.571 -0.3427 -0.5478 -0.6578
+ 2102SOL    HW1 7878   0.736   2.409   5.542 -0.1170  0.1122  0.1611
+ 2102SOL    HW2 7879   0.650   2.356   5.654 -0.7423 -0.5171 -0.6174
+ 2103SOL     OW 7880   0.654   2.552   7.882  0.2789 -0.9142 -0.0990
+ 2103SOL    HW1 7881   0.630   2.499   7.958  0.4436 -1.9244 -0.7573
+ 2103SOL    HW2 7882   0.748   2.543   7.874  0.4195  0.1307  0.2685
+ 2104SOL     OW 7883   3.460   2.671   6.003  0.2514  0.2779 -0.0876
+ 2104SOL    HW1 7884   3.516   2.736   6.044 -2.6153  1.7314  1.6346
+ 2104SOL    HW2 7885   3.468   2.593   6.058 -0.0443  0.7445  0.6122
+ 2105SOL     OW 7886   0.626   4.167   7.607  0.1857 -0.3558 -0.2702
+ 2105SOL    HW1 7887   0.645   4.185   7.515  1.2974 -0.4747 -0.0781
+ 2105SOL    HW2 7888   0.568   4.238   7.634  0.2545 -0.0451 -0.9310
+ 2106SOL     OW 7889   2.691   4.653   6.706 -0.1242 -0.1314  0.3228
+ 2106SOL    HW1 7890   2.692   4.676   6.799  0.9082 -2.6372  0.9881
+ 2106SOL    HW2 7891   2.763   4.704   6.668  0.4313 -0.2412  1.2131
+ 2107SOL     OW 7892   1.755   3.827   5.837 -0.0438  0.1902 -1.2491
+ 2107SOL    HW1 7893   1.776   3.919   5.847 -1.6830  0.6060 -1.4736
+ 2107SOL    HW2 7894   1.667   3.826   5.799 -1.1407 -1.4826  1.2234
+ 2108SOL     OW 7895   0.282   3.185   7.409  0.1939  0.4887  0.3235
+ 2108SOL    HW1 7896   0.261   3.249   7.477  1.7958 -1.9486  3.2314
+ 2108SOL    HW2 7897   0.361   3.218   7.368  0.6426  0.7465  1.3687
+ 2109SOL     OW 7898   1.251   2.994   7.568  0.8240 -0.5989  0.3653
+ 2109SOL    HW1 7899   1.166   3.009   7.526  0.6841 -0.5282  0.6768
+ 2109SOL    HW2 7900   1.284   3.082   7.589  0.8523 -0.6403  0.4919
+ 2110SOL     OW 7901   1.152   2.537   0.938 -0.2339  0.4822  0.3590
+ 2110SOL    HW1 7902   1.170   2.492   0.855  0.4725  0.5280  0.4802
+ 2110SOL    HW2 7903   1.101   2.474   0.989 -0.3917  0.3285  0.0136
+ 2111SOL     OW 7904   6.645   3.653   1.285 -0.3968  0.6080 -0.0726
+ 2111SOL    HW1 7905   6.635   3.606   1.202  0.0160  1.1351 -0.4231
+ 2111SOL    HW2 7906   6.673   3.741   1.260 -0.4244  0.8164  0.6182
+ 2112SOL     OW 7907   0.781   1.306   7.062  0.9467 -0.2634  0.6278
+ 2112SOL    HW1 7908   0.777   1.211   7.072  1.4701 -0.3861 -0.2595
+ 2112SOL    HW2 7909   0.693   1.336   7.082  0.4911 -1.0473 -0.1452
+ 2113SOL     OW 7910   7.522   3.100   2.442 -0.0118  0.3412  0.1894
+ 2113SOL    HW1 7911   7.530   3.022   2.387 -1.9072  0.0164  0.3251
+ 2113SOL    HW2 7912   7.543   3.173   2.383 -0.7113 -0.1020 -0.6217
+ 2114SOL     OW 7913   1.901   4.026   7.874  0.2839 -0.1451  0.2437
+ 2114SOL    HW1 7914   1.967   3.970   7.834 -0.7695 -1.6726  0.6287
+ 2114SOL    HW2 7915   1.821   4.007   7.826 -0.8366 -1.4481  2.5520
+ 2115SOL     OW 7916   2.415   3.642   6.401 -0.0071 -0.7721  0.0626
+ 2115SOL    HW1 7917   2.353   3.575   6.372 -2.6497  1.6946 -0.2340
+ 2115SOL    HW2 7918   2.378   3.674   6.484  1.0937  0.4657  0.0911
+ 2116SOL     OW 7919   2.478   3.373   7.577  0.1205 -0.2207  0.3293
+ 2116SOL    HW1 7920   2.438   3.367   7.663 -1.1805  0.4499 -0.2126
+ 2116SOL    HW2 7921   2.447   3.456   7.542  3.0841  0.9785  0.4223
+ 2117SOL     OW 7922   1.239   2.496   0.609  0.2441 -0.2823 -0.3548
+ 2117SOL    HW1 7923   1.315   2.495   0.550  0.3917 -2.2291 -0.1493
+ 2117SOL    HW2 7924   1.238   2.409   0.648 -0.8420  0.4431  1.2772
+ 2118SOL     OW 7925   2.216   3.578   6.827  0.5358 -0.5797 -0.9726
+ 2118SOL    HW1 7926   2.283   3.515   6.802  0.3909 -0.6008 -1.3108
+ 2118SOL    HW2 7927   2.265   3.655   6.855  0.6976  0.0247 -2.8269
+ 2119SOL     OW 7928   7.859   3.648   1.115  0.3998 -0.1495  0.4402
+ 2119SOL    HW1 7929   7.834   3.559   1.093  0.6681 -0.2448  0.5214
+ 2119SOL    HW2 7930   7.950   3.656   1.086  0.0224  0.4606 -0.6358
+ 2120SOL     OW 7931   1.262   1.538   1.118 -0.2400 -0.1059 -0.1339
+ 2120SOL    HW1 7932   1.243   1.455   1.162 -3.2012  0.9380  0.7073
+ 2120SOL    HW2 7933   1.271   1.601   1.189 -0.4346  0.7316 -0.8478
+ 2121SOL     OW 7934   0.732   1.898   0.233 -0.1675 -0.2405 -0.6741
+ 2121SOL    HW1 7935   0.654   1.850   0.209  0.2491 -0.3496 -1.8166
+ 2121SOL    HW2 7936   0.799   1.870   0.171  0.3892  0.9451 -0.6325
+ 2122SOL     OW 7937   0.653   3.937   7.877  0.4940  0.0267  0.3287
+ 2122SOL    HW1 7938   0.631   3.844   7.880 -0.2911  0.1652 -0.9242
+ 2122SOL    HW2 7939   0.746   3.940   7.900  0.3353 -0.9863  1.1602
+ 2123SOL     OW 7940   0.497   5.602   6.494 -0.3318  0.2771  0.4370
+ 2123SOL    HW1 7941   0.580   5.570   6.529 -0.3531  0.9920  1.1739
+ 2123SOL    HW2 7942   0.521   5.681   6.444 -0.2113 -1.1219 -1.7753
+ 2124SOL     OW 7943   7.568   6.177   0.414  0.1407  0.7486  0.3639
+ 2124SOL    HW1 7944   7.570   6.182   0.509  0.7439  0.8742  0.3489
+ 2124SOL    HW2 7945   7.583   6.267   0.384  1.2189  0.5045  0.1482
+ 2125SOL     OW 7946   7.806   3.229   0.467 -0.3379  0.1182  0.6785
+ 2125SOL    HW1 7947   7.858   3.189   0.537  1.0183 -1.0081 -0.9225
+ 2125SOL    HW2 7948   7.856   3.307   0.441 -0.4975  0.1705  0.5262
+ 2126SOL     OW 7949   2.448   7.682   0.398  0.1478  0.0939  0.7025
+ 2126SOL    HW1 7950   2.423   7.687   0.305  1.3370 -1.4160  0.2801
+ 2126SOL    HW2 7951   2.413   7.762   0.436  0.8480  1.4344 -1.3464
+ 2127SOL     OW 7952   1.929   6.124   1.668 -0.2969 -0.2656 -0.3371
+ 2127SOL    HW1 7953   1.959   6.093   1.754  0.8297 -0.1469 -0.6765
+ 2127SOL    HW2 7954   1.959   6.057   1.607  1.7684  1.2541 -1.0273
+ 2128SOL     OW 7955   1.687   3.898   0.168 -0.0974  0.4347 -0.2939
+ 2128SOL    HW1 7956   1.618   3.959   0.143 -2.3384 -1.1067  1.8872
+ 2128SOL    HW2 7957   1.742   3.947   0.229 -0.4624  1.0487 -0.4562
+ 2129SOL     OW 7958   1.487   4.681   0.253 -0.1207  0.1406  0.3712
+ 2129SOL    HW1 7959   1.572   4.674   0.298 -0.1680 -1.4791  0.2475
+ 2129SOL    HW2 7960   1.437   4.743   0.305  1.3255  1.5179  0.1533
+ 2130SOL     OW 7961   1.108   6.179   1.304  0.2824  0.1711  0.1300
+ 2130SOL    HW1 7962   1.096   6.214   1.216  1.9116 -0.6249 -0.4434
+ 2130SOL    HW2 7963   1.161   6.100   1.291 -2.1117 -1.7335  1.5276
+ 2131SOL     OW 7964   1.998   3.708   2.234  0.0393  0.3997 -0.5735
+ 2131SOL    HW1 7965   2.022   3.672   2.149 -1.2469  0.2786 -0.9029
+ 2131SOL    HW2 7966   2.026   3.641   2.297 -0.2516 -0.1411 -1.0117
+ 2132SOL     OW 7967   0.570   3.817   2.462  0.1631  0.1044 -0.2688
+ 2132SOL    HW1 7968   0.665   3.816   2.454 -0.0257  1.4617 -2.9195
+ 2132SOL    HW2 7969   0.541   3.739   2.414 -0.2281  1.4714 -2.3002
+ 2133SOL     OW 7970   0.138   3.690   0.227 -0.0257  0.3437  0.8537
+ 2133SOL    HW1 7971   0.056   3.708   0.182  0.2323 -0.8309 -0.1272
+ 2133SOL    HW2 7972   0.192   3.767   0.211  0.4554 -0.4991 -1.7955
+ 2134SOL     OW 7973   2.055   5.530   1.168 -0.1688  0.4060  0.2241
+ 2134SOL    HW1 7974   1.972   5.485   1.151  0.3468 -0.5322  0.1567
+ 2134SOL    HW2 7975   2.029   5.618   1.196 -1.1648  0.3767 -0.5578
+ 2135SOL     OW 7976   0.033   4.299   2.783  0.1648 -0.1091  0.1736
+ 2135SOL    HW1 7977   0.007   4.386   2.813 -0.6965  0.0671 -1.0410
+ 2135SOL    HW2 7978   0.129   4.303   2.779  0.1019  0.9609 -0.3628
+ 2136SOL     OW 7979   7.856   5.234   2.479  0.1057 -0.1619 -0.2163
+ 2136SOL    HW1 7980   7.794   5.185   2.534 -1.1439  2.4243  0.7549
+ 2136SOL    HW2 7981   7.941   5.200   2.504 -0.4701  0.6153  3.0876
+ 2137SOL     OW 7982   0.677   4.284   7.376  0.0808  0.3039 -0.2839
+ 2137SOL    HW1 7983   0.602   4.279   7.316  0.9418  0.2611 -1.3691
+ 2137SOL    HW2 7984   0.703   4.376   7.373  0.1957  0.2778 -0.0677
+ 2138SOL     OW 7985   2.387   6.740   0.688 -0.2428 -0.1565 -0.6742
+ 2138SOL    HW1 7986   2.469   6.714   0.730 -0.4718  0.6768  0.2982
+ 2138SOL    HW2 7987   2.343   6.794   0.753 -0.7897  0.8259 -1.8524
+ 2139SOL     OW 7988   1.042   4.909   1.578  0.4373 -0.4429 -0.2800
+ 2139SOL    HW1 7989   1.092   4.945   1.505  2.8442  1.7564  2.3252
+ 2139SOL    HW2 7990   0.981   4.980   1.601  0.8133 -0.4954  0.8723
+ 2140SOL     OW 7991   0.937   5.217   3.050 -0.1105  0.4578 -0.0971
+ 2140SOL    HW1 7992   0.952   5.308   3.076  0.7738  0.2792  0.0389
+ 2140SOL    HW2 7993   1.021   5.189   3.014 -0.2239 -0.4697  0.3595
+ 2141SOL     OW 7994   7.607   3.694   0.962  0.2341 -0.1935  0.6544
+ 2141SOL    HW1 7995   7.586   3.613   1.010  3.0192 -1.2228  0.2232
+ 2141SOL    HW2 7996   7.682   3.731   1.008 -0.1393  1.4146  0.0037
+ 2142SOL     OW 7997   1.476   4.442   1.835 -0.1790 -0.2915 -0.4666
+ 2142SOL    HW1 7998   1.393   4.401   1.810 -0.7867  1.4421 -1.3219
+ 2142SOL    HW2 7999   1.452   4.525   1.875  1.1013 -0.3166  0.4091
+ 2143SOL     OW 8000   0.242   5.303   6.541  0.0356 -0.3445  0.3771
+ 2143SOL    HW1 8001   0.308   5.251   6.587  0.5475 -1.3720 -1.4585
+ 2143SOL    HW2 8002   0.159   5.281   6.585  0.8204  0.6481  2.4314
+ 2144SOL     OW 8003   1.569   2.637   0.973  0.6994  0.4015  0.0793
+ 2144SOL    HW1 8004   1.501   2.667   1.033 -0.0514  1.1920 -1.1463
+ 2144SOL    HW2 8005   1.593   2.715   0.923 -0.6752 -0.8158 -2.5741
+ 2145SOL     OW 8006   6.881   4.222   1.037  0.1317  0.2477 -0.1314
+ 2145SOL    HW1 8007   6.973   4.233   1.062  0.5206  1.4228 -1.9783
+ 2145SOL    HW2 8008   6.838   4.193   1.118  1.3933  3.6431  1.8735
+ 2146SOL     OW 8009   2.957   7.812   7.234  0.0564 -0.5621  0.2956
+ 2146SOL    HW1 8010   3.018   7.880   7.261 -1.2014  0.8369 -0.3518
+ 2146SOL    HW2 8011   3.012   7.744   7.194  0.9257  2.1280 -3.2903
+ 2147SOL     OW 8012   0.876   5.175   0.543  0.4268 -0.4941 -0.2873
+ 2147SOL    HW1 8013   0.966   5.202   0.528  0.3309  0.2199  0.4312
+ 2147SOL    HW2 8014   0.883   5.102   0.605  0.6103 -1.4565 -1.4228
+ 2148SOL     OW 8015   2.244   3.974   0.349 -0.0490  0.6955 -0.0091
+ 2148SOL    HW1 8016   2.325   4.013   0.315  1.5619 -2.6303 -0.1998
+ 2148SOL    HW2 8017   2.238   4.007   0.439  1.6123  0.8654  0.0586
+ 2149SOL     OW 8018   1.757   3.643   7.800 -0.2311 -0.4675  0.7688
+ 2149SOL    HW1 8019   1.845   3.620   7.767 -0.3683 -0.2756  0.2595
+ 2149SOL    HW2 8020   1.718   3.695   7.729 -0.3639  0.3481  1.4298
+ 2150SOL     OW 8021   7.892   3.640   3.003 -0.1561 -0.4345  0.1222
+ 2150SOL    HW1 8022   7.929   3.643   3.091 -0.6055  0.4765  0.2823
+ 2150SOL    HW2 8023   7.968   3.649   2.945  0.1499 -1.1435  0.4106
+ 2151SOL     OW 8024   0.589   5.225   1.931 -0.1250 -0.2935 -0.1293
+ 2151SOL    HW1 8025   0.596   5.294   1.865 -0.3713 -0.8368 -0.7228
+ 2151SOL    HW2 8026   0.596   5.272   2.015  3.8476 -0.0142 -0.5289
+ 2152SOL     OW 8027   1.169   5.328   2.274 -0.3585  0.0980 -0.1552
+ 2152SOL    HW1 8028   1.237   5.285   2.222  0.7049  0.0387  1.2211
+ 2152SOL    HW2 8029   1.089   5.318   2.224  0.6517  0.1182 -1.7998
+ 2153SOL     OW 8030   1.292   4.620   6.418 -0.4027  0.1841 -0.3258
+ 2153SOL    HW1 8031   1.333   4.677   6.483 -0.1250  0.3306 -0.6257
+ 2153SOL    HW2 8032   1.239   4.679   6.364  0.3923  0.2634 -1.0377
+ 2154SOL     OW 8033   0.984   5.260   1.360  0.1935  0.0073 -0.2092
+ 2154SOL    HW1 8034   0.935   5.230   1.436  0.9874  1.7534  1.0087
+ 2154SOL    HW2 8035   0.947   5.210   1.287 -0.8204 -1.4197  1.2458
+ 2155SOL     OW 8036   1.873   2.528   0.509  0.3969 -0.2381  0.1681
+ 2155SOL    HW1 8037   1.835   2.472   0.441  0.7479 -1.9454  1.3499
+ 2155SOL    HW2 8038   1.797   2.561   0.558  0.2198 -0.1671 -0.1507
+ 2156SOL     OW 8039   1.670   6.759   7.754  0.5148  0.3623  0.1143
+ 2156SOL    HW1 8040   1.664   6.663   7.759  1.6225  0.2584 -0.3584
+ 2156SOL    HW2 8041   1.746   6.775   7.699 -1.3867  1.5237 -2.2322
+ 2157SOL     OW 8042   7.910   5.162   2.987  0.4797 -0.2847  0.3055
+ 2157SOL    HW1 8043   7.838   5.224   2.994 -0.7953 -1.6153 -0.6540
+ 2157SOL    HW2 8044   7.869   5.081   2.958  2.6493 -0.4720 -2.4646
+ 2158SOL     OW 8045   2.850   4.025   1.978  0.1477 -0.1649  0.8071
+ 2158SOL    HW1 8046   2.819   4.060   1.895 -2.3249 -1.6049  1.0856
+ 2158SOL    HW2 8047   2.855   4.102   2.036 -1.3496  0.3452  0.2787
+ 2159SOL     OW 8048   0.385   4.684   0.431 -0.1015  0.1887 -0.3398
+ 2159SOL    HW1 8049   0.371   4.591   0.410 -1.7330  0.8863 -2.5448
+ 2159SOL    HW2 8050   0.387   4.728   0.346 -1.7419  2.4727  0.7417
+ 2160SOL     OW 8051   1.109   5.689   0.557  0.1207  0.3534  0.4046
+ 2160SOL    HW1 8052   1.066   5.769   0.588  1.1530  0.5040  1.4867
+ 2160SOL    HW2 8053   1.043   5.620   0.569 -1.4023  1.2796 -2.1462
+ 2161SOL     OW 8054   7.844   4.871   0.533  0.1466 -0.0423 -0.4838
+ 2161SOL    HW1 8055   7.918   4.813   0.552 -0.3960 -1.0724 -1.4205
+ 2161SOL    HW2 8056   7.873   4.922   0.458  1.0420  1.6948  1.0260
+ 2162SOL     OW 8057   1.742   5.205   1.726 -0.0131  0.1138  0.6700
+ 2162SOL    HW1 8058   1.796   5.274   1.688  0.7631  1.1360  3.5107
+ 2162SOL    HW2 8059   1.789   5.179   1.805 -0.2643 -3.7274 -0.3270
+ 2163SOL     OW 8060   0.886   5.488   1.683  0.0180 -0.5625  0.8729
+ 2163SOL    HW1 8061   0.971   5.530   1.669 -0.5662  0.1178 -0.7730
+ 2163SOL    HW2 8062   0.904   5.395   1.683  0.6568 -0.4434 -0.3395
+ 2164SOL     OW 8063   0.237   4.945   2.348  0.5523 -0.4485  0.4061
+ 2164SOL    HW1 8064   0.158   4.909   2.388  0.3126  1.8114  2.0000
+ 2164SOL    HW2 8065   0.205   5.010   2.286  1.1043 -0.7085 -0.1561
+ 2165SOL     OW 8066   2.349   4.359   2.592 -0.8415  0.1565 -0.3943
+ 2165SOL    HW1 8067   2.325   4.288   2.534  1.6592 -0.8308 -0.2994
+ 2165SOL    HW2 8068   2.345   4.322   2.680 -0.2221  0.3048 -0.2943
+ 2166SOL     OW 8069   0.603   5.174   0.734  0.1290 -0.1766  0.1271
+ 2166SOL    HW1 8070   0.667   5.103   0.724  0.7512  0.2194  1.1729
+ 2166SOL    HW2 8071   0.523   5.140   0.694  0.2789 -1.6615  1.0400
+ 2167SOL     OW 8072   1.681   4.067   0.922 -0.1639 -0.3096 -0.4059
+ 2167SOL    HW1 8073   1.588   4.051   0.940 -0.0400 -1.4410 -0.7677
+ 2167SOL    HW2 8074   1.724   4.060   1.007 -0.6231  1.9035  0.0547
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+ 2168SOL    HW1 8076   0.435   3.920   2.507 -1.4893 -3.3304  1.0198
+ 2168SOL    HW2 8077   0.377   3.983   2.632  1.9092  2.4312 -0.1361
+ 2169SOL     OW 8078   0.376   5.863   1.993 -0.1543 -0.2799  0.1036
+ 2169SOL    HW1 8079   0.350   5.890   1.905 -0.5618  1.3590  0.7117
+ 2169SOL    HW2 8080   0.308   5.898   2.050  0.1039 -1.3385  1.0703
+ 2170SOL     OW 8081   0.274   4.815   1.828 -0.1334  0.1490 -0.1089
+ 2170SOL    HW1 8082   0.242   4.770   1.906  0.3576  1.8214  1.0978
+ 2170SOL    HW2 8083   0.361   4.846   1.851  0.3135  0.0470 -1.5782
+ 2171SOL     OW 8084   3.113   4.393   0.404  0.2782 -0.4832 -0.4476
+ 2171SOL    HW1 8085   3.191   4.373   0.455  0.8759 -0.0348 -1.1682
+ 2171SOL    HW2 8086   3.041   4.351   0.451  1.1424 -2.0406 -0.4877
+ 2172SOL     OW 8087   2.056   5.318   7.784  0.1699  0.3413 -0.3177
+ 2172SOL    HW1 8088   2.054   5.371   7.864 -1.7127 -0.3428  0.1253
+ 2172SOL    HW2 8089   2.113   5.244   7.805  2.7868  2.1368 -0.9328
+ 2173SOL     OW 8090   1.343   5.182   2.143  0.7935 -0.2078  0.2169
+ 2173SOL    HW1 8091   1.387   5.194   2.059  2.1299  0.9406  1.0646
+ 2173SOL    HW2 8092   1.340   5.087   2.155  0.6408 -0.3699 -1.1024
+ 2174SOL     OW 8093   0.512   4.513   1.814  0.1557  0.3468  0.3620
+ 2174SOL    HW1 8094   0.440   4.481   1.868 -2.0937  2.7148 -1.0664
+ 2174SOL    HW2 8095   0.495   4.607   1.806  1.9345  0.4906 -2.2281
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+ 2175SOL    HW1 8097   0.802   4.038   2.109  0.4864 -0.6143  0.8625
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+ 2177SOL    HW1 8103   1.546   4.583   0.031 -0.9864 -0.3293  0.1202
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+ 2179SOL    HW1 8109   7.163   4.920   1.869  0.3518  0.4648 -0.1345
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+ 2181SOL    HW1 8115   0.707   2.692   1.059  0.2684  0.0512  0.4044
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+ 2201SOL     OW 8174   6.816   4.118   6.609  0.3999 -0.1001 -0.3275
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+ 2205SOL     OW 8186   0.003   2.980   7.674 -0.5234 -0.5612 -0.3039
+ 2205SOL    HW1 8187  -0.001   2.885   7.680  0.9810 -0.6075  0.1674
+ 2205SOL    HW2 8188  -0.051   3.010   7.748 -0.2232 -1.0470  0.1173
+ 2206SOL     OW 8189   0.423   3.518   1.415 -0.1539  0.0484  0.7266
+ 2206SOL    HW1 8190   0.459   3.447   1.362 -1.0640  0.0491  0.0829
+ 2206SOL    HW2 8191   0.345   3.546   1.367  1.1358  2.6716  0.0692
+ 2207SOL     OW 8192   2.688   3.878   6.936 -0.3034 -0.5054 -0.0900
+ 2207SOL    HW1 8193   2.709   3.970   6.927 -0.7994 -0.1938  1.6523
+ 2207SOL    HW2 8194   2.697   3.842   6.848  0.0074  1.1740 -0.7600
+ 2208SOL     OW 8195   2.070   4.113   0.919  0.1652  0.7990  0.0176
+ 2208SOL    HW1 8196   2.033   4.118   0.831  1.0138 -0.7896 -0.4524
+ 2208SOL    HW2 8197   2.054   4.023   0.947 -1.0826  1.5991  1.9444
+ 2209SOL     OW 8198   0.923   3.923   2.896  0.1042 -0.1451  0.1376
+ 2209SOL    HW1 8199   0.981   3.982   2.943  0.9403 -0.1419 -0.8741
+ 2209SOL    HW2 8200   0.977   3.890   2.824 -0.6550 -1.3791  0.1273
+ 2210SOL     OW 8201   3.875   5.037   1.079  0.2655 -0.2974  0.5149
+ 2210SOL    HW1 8202   3.785   5.015   1.054 -0.4203  0.0404  2.5305
+ 2210SOL    HW2 8203   3.918   4.953   1.091  0.7324 -0.4601 -2.1248
+ 2211SOL     OW 8204   7.107   5.883   7.892 -0.2616  0.7254  0.3478
+ 2211SOL    HW1 8205   7.119   5.840   7.977  0.0341 -3.6526 -1.7659
+ 2211SOL    HW2 8206   7.014   5.907   7.890 -0.4218  0.2465  1.6746
+ 2212SOL     OW 8207   1.950   4.571   1.526 -0.0483  0.0795 -0.2875
+ 2212SOL    HW1 8208   1.903   4.498   1.486 -1.2729  0.8371 -0.2396
+ 2212SOL    HW2 8209   1.884   4.619   1.575  0.8474  0.9293  0.1068
+ 2213SOL     OW 8210   1.023   3.689   7.338  0.1207 -0.4446  0.1630
+ 2213SOL    HW1 8211   1.012   3.595   7.348  0.7639 -0.6636 -1.0982
+ 2213SOL    HW2 8212   0.936   3.723   7.321 -0.5110 -0.4745  3.0497
+ 2214SOL     OW 8213   1.029   4.471   0.144 -0.5722  0.5416 -0.5810
+ 2214SOL    HW1 8214   1.043   4.385   0.184  0.0006  0.4777 -0.9067
+ 2214SOL    HW2 8215   0.994   4.524   0.215  1.3854  0.6976  0.3169
+ 2215SOL     OW 8216   1.193   4.720   1.708  0.2105 -0.1322 -0.1936
+ 2215SOL    HW1 8217   1.194   4.726   1.804 -3.4163 -2.5721  0.1242
+ 2215SOL    HW2 8218   1.128   4.785   1.681 -0.7813 -1.3426 -0.7588
+ 2216SOL     OW 8219   2.972   4.466   1.306  0.0967 -0.3619 -0.0857
+ 2216SOL    HW1 8220   3.012   4.553   1.300 -1.5296  0.3619 -0.8631
+ 2216SOL    HW2 8221   2.962   4.451   1.400 -0.9495  0.9403  0.0215
+ 2217SOL     OW 8222   4.241   6.924   1.205 -0.0262 -0.4577  0.4867
+ 2217SOL    HW1 8223   4.153   6.917   1.242  0.2631  0.0453  1.2778
+ 2217SOL    HW2 8224   4.275   6.834   1.207 -0.7491 -0.7495 -0.3863
+ 2218SOL     OW 8225   1.962   5.110   1.325 -0.5832 -0.4019 -0.7205
+ 2218SOL    HW1 8226   1.876   5.079   1.354 -0.6481  0.2201 -0.2432
+ 2218SOL    HW2 8227   1.955   5.206   1.327  1.0746 -0.3016  2.1749
+ 2219SOL     OW 8228   3.155   4.447   0.935 -0.2294  0.1291  0.5089
+ 2219SOL    HW1 8229   3.139   4.412   1.022 -0.3289  2.2692  1.3803
+ 2219SOL    HW2 8230   3.071   4.482   0.906 -0.0326  0.0678 -0.1623
+ 2220SOL     OW 8231   7.191   5.243   1.740 -0.2758 -0.2466 -0.3097
+ 2220SOL    HW1 8232   7.228   5.327   1.769  0.7004 -1.3574  1.7165
+ 2220SOL    HW2 8233   7.263   5.181   1.749 -0.7412 -1.1803 -2.6155
+ 2221SOL     OW 8234   0.919   5.149   2.153  0.5205 -0.4566 -0.1910
+ 2221SOL    HW1 8235   0.925   5.060   2.189 -0.0043  0.2939  1.8347
+ 2221SOL    HW2 8236   0.872   5.198   2.221 -0.8546  0.9264 -2.1169
+ 2222SOL     OW 8237   1.224   4.082   5.641  0.0862  0.3752 -0.3635
+ 2222SOL    HW1 8238   1.294   4.115   5.697 -0.4633  1.5220 -0.3473
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+ 2223SOL     OW 8240   0.324   5.760   2.761 -0.0283  0.8605  0.2525
+ 2223SOL    HW1 8241   0.308   5.693   2.694  0.3511 -0.0386  1.0351
+ 2223SOL    HW2 8242   0.329   5.842   2.713 -0.1271  0.2752 -0.7768
+ 2224SOL     OW 8243   1.143   4.910   1.886  0.0826 -0.4096 -0.0596
+ 2224SOL    HW1 8244   1.152   4.883   1.977  0.8117  1.8960  0.6000
+ 2224SOL    HW2 8245   1.096   4.993   1.890  0.6008 -0.0101 -1.7319
+ 2225SOL     OW 8246   0.153   6.495   1.561 -0.2818  0.2864 -0.6245
+ 2225SOL    HW1 8247   0.099   6.458   1.631  1.5618 -0.7117  0.3110
+ 2225SOL    HW2 8248   0.176   6.583   1.593 -0.7275  0.4303 -0.6938
+ 2226SOL     OW 8249   7.584   3.171   7.905  0.1144  0.3537  0.0482
+ 2226SOL    HW1 8250   7.561   3.260   7.878  0.5238  0.5128  0.2105
+ 2226SOL    HW2 8251   7.501   3.125   7.911  0.0774 -0.0355 -2.6929
+ 2227SOL     OW 8252   7.431   3.717   1.816 -0.5308  0.9733  0.5728
+ 2227SOL    HW1 8253   7.416   3.684   1.727  1.8225 -0.1053  0.5522
+ 2227SOL    HW2 8254   7.492   3.655   1.855 -0.1347  2.4282  2.3457
+ 2228SOL     OW 8255   0.766   4.373   7.947  0.5461  0.0138  0.2992
+ 2228SOL    HW1 8256   0.826   4.301   7.968 -1.0683 -1.0195  1.5479
+ 2228SOL    HW2 8257   0.812   4.452   7.974  1.7425 -0.6826  0.3012
+ 2229SOL     OW 8258   0.694   6.233   0.870  0.1859  0.1446  0.0101
+ 2229SOL    HW1 8259   0.674   6.209   0.961  0.7848  1.2500  0.4385
+ 2229SOL    HW2 8260   0.618   6.282   0.840  1.0820  2.0674  0.7877
+ 2230SOL     OW 8261   1.367   5.595   0.601  0.3553  0.2598 -0.1204
+ 2230SOL    HW1 8262   1.374   5.631   0.690 -0.0218  0.8049 -0.3136
+ 2230SOL    HW2 8263   1.275   5.608   0.577  0.2812 -0.5519 -0.3145
+ 2231SOL     OW 8264   1.047   4.904   7.053 -0.1259  0.1335 -0.4783
+ 2231SOL    HW1 8265   1.007   4.833   7.102 -0.6974  0.0494 -1.0610
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+ 2232SOL    HW1 8268   1.444   4.521   2.361 -0.4349  0.3715  1.7371
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+ 2233SOL    HW1 8271   2.570   3.832   0.086  0.8995 -2.1493 -0.0025
+ 2233SOL    HW2 8272   2.671   3.770  -0.008  2.0381  0.2691 -0.3949
+ 2234SOL     OW 8273   0.350   3.683   3.536  0.2211  0.1532  1.1036
+ 2234SOL    HW1 8274   0.361   3.758   3.478 -0.7402 -0.6323 -0.1265
+ 2234SOL    HW2 8275   0.271   3.702   3.586 -0.5977 -0.4969  0.0646
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+ 2235SOL    HW1 8277   0.041   3.601   2.605  0.1289  0.4261 -0.9109
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+ 2237SOL    HW1 8283   0.718   5.537   1.371  2.2858 -1.6967 -0.3337
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+ 2238SOL    HW1 8286   1.552   3.546   0.800  0.5718  0.6007  1.4567
+ 2238SOL    HW2 8287   1.649   3.659   0.829 -1.1447  2.2204  0.9958
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+ 2239SOL    HW1 8289   7.499   3.150   0.304  1.5752  1.0108 -1.7619
+ 2239SOL    HW2 8290   7.610   3.199   0.395  0.6995  1.7476 -1.0957
+ 2240SOL     OW 8291   7.728   3.774   0.633 -1.0832 -0.1474  0.2845
+ 2240SOL    HW1 8292   7.701   3.722   0.709  0.0166 -0.7564  0.2662
+ 2240SOL    HW2 8293   7.819   3.750   0.618 -0.8984  0.9374 -0.4386
+ 2241SOL     OW 8294   1.652   5.488   2.562  0.4470  0.1844 -0.0250
+ 2241SOL    HW1 8295   1.662   5.397   2.535  1.7069 -0.0679  1.2165
+ 2241SOL    HW2 8296   1.561   5.497   2.588  0.8396 -1.3142  1.9441
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+ 2242SOL    HW1 8298   2.581   4.535   2.564  0.0513  0.8805  1.5666
+ 2242SOL    HW2 8299   2.433   4.505   2.576 -0.0555  0.4311 -0.5472
+ 2243SOL     OW 8300   0.032   3.370   0.348 -0.0317 -0.1863 -0.0125
+ 2243SOL    HW1 8301   0.108   3.323   0.381  0.3665  0.3708 -0.1197
+ 2243SOL    HW2 8302   0.054   3.463   0.361 -0.1583  0.0205 -1.1907
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+ 2245SOL    HW1 8307   2.274   3.595   0.921  1.0368 -0.2057 -0.0343
+ 2245SOL    HW2 8308   2.363   3.716   0.900  1.4893 -0.0895  2.4224
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+ 2247SOL    HW1 8313   1.306   5.179   0.871  0.8656  0.4812 -1.2114
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+ 2251SOL    HW1 8325   1.971   6.112   0.467 -0.3074 -0.6743 -1.4114
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+ 2252SOL     OW 8327   7.841   5.125   6.389  0.4014 -0.1962 -0.3390
+ 2252SOL    HW1 8328   7.934   5.104   6.399  0.0407 -1.1174  1.2324
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+ 2253SOL    HW1 8331   2.300   4.833   0.417 -0.3451  0.6873 -2.0796
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+ 2254SOL    HW1 8334   1.162   4.561   2.079  0.8883  0.3663 -1.9689
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+ 2275SOL    HW2 8398   0.596   5.485   1.758 -0.0809  0.4670 -0.6477
+ 2276SOL     OW 8399   0.874   3.351   7.616 -0.1395  0.0244 -0.2105
+ 2276SOL    HW1 8400   0.785   3.368   7.585 -0.5738 -0.0141  0.9893
+ 2276SOL    HW2 8401   0.901   3.432   7.658  0.3555 -0.0023 -0.4730
+ 2277SOL     OW 8402   1.009   4.756   0.635  0.4044  0.1568 -0.2106
+ 2277SOL    HW1 8403   1.075   4.766   0.704  0.3234 -1.6152  0.1302
+ 2277SOL    HW2 8404   1.059   4.736   0.556  0.3603  0.1439 -0.2353
+ 2278SOL     OW 8405   2.608   5.850   1.328 -0.3749  0.2166 -0.2498
+ 2278SOL    HW1 8406   2.561   5.773   1.298  0.1518 -0.9800  1.8464
+ 2278SOL    HW2 8407   2.701   5.825   1.322 -0.1838  0.9041 -0.1684
+ 2279SOL     OW 8408   7.714   6.735   3.080  0.3237 -0.6490 -0.4647
+ 2279SOL    HW1 8409   7.643   6.671   3.080 -0.1350 -0.1472 -0.8781
+ 2279SOL    HW2 8410   7.756   6.723   2.994  1.2219 -1.4721  0.0833
+ 2280SOL     OW 8411   0.276   4.609   2.314  0.4463  0.2741 -0.1056
+ 2280SOL    HW1 8412   0.280   4.642   2.404  0.8719  0.4647 -0.1966
+ 2280SOL    HW2 8413   0.196   4.557   2.312 -0.3014  1.3916  0.0148
+ 2281SOL     OW 8414   2.255   4.476   1.109  0.1554  0.1290 -0.0294
+ 2281SOL    HW1 8415   2.240   4.541   1.177 -0.9092 -0.7524  0.6102
+ 2281SOL    HW2 8416   2.241   4.523   1.027 -0.8641  0.6498  0.4302
+ 2282SOL     OW 8417   2.740   4.618   7.669  0.4868 -0.4521 -0.1154
+ 2282SOL    HW1 8418   2.799   4.559   7.622  0.3844  0.0192 -0.8465
+ 2282SOL    HW2 8419   2.790   4.647   7.745  0.5337 -1.4886  0.2498
+ 2283SOL     OW 8420   7.532   6.460   1.295 -0.1592 -0.4917  0.1760
+ 2283SOL    HW1 8421   7.452   6.428   1.254 -0.0114  0.2498 -0.7188
+ 2283SOL    HW2 8422   7.601   6.403   1.262 -0.0684 -0.0150 -0.4948
+ 2284SOL     OW 8423   1.089   3.561   1.962 -0.3277 -0.2087 -0.1272
+ 2284SOL    HW1 8424   1.090   3.568   1.866  0.0359 -0.3765 -0.1362
+ 2284SOL    HW2 8425   1.023   3.495   1.980 -0.7335  0.1648 -0.2418
+ 2285SOL     OW 8426   0.317   3.543   1.697 -0.3170  0.4305  0.1737
+ 2285SOL    HW1 8427   0.347   3.592   1.774 -0.8199 -0.9092  1.2528
+ 2285SOL    HW2 8428   0.303   3.610   1.630 -1.0541  1.7930  1.6291
+ 2286SOL     OW 8429   0.752   5.293   6.485  0.0690 -0.4688 -0.4925
+ 2286SOL    HW1 8430   0.713   5.309   6.399 -2.1225 -0.6592  0.4320
+ 2286SOL    HW2 8431   0.760   5.380   6.524 -0.1432 -0.4953 -0.3885
+ 2287SOL     OW 8432   1.363   4.029   0.638  0.9124  0.0070  0.0412
+ 2287SOL    HW1 8433   1.424   3.956   0.631 -0.2873 -0.9941  0.0760
+ 2287SOL    HW2 8434   1.286   3.993   0.681  0.3517  1.3141  0.1656
+ 2288SOL     OW 8435   3.545   3.578   0.708  0.5442 -0.8692  0.1021
+ 2288SOL    HW1 8436   3.501   3.654   0.669  1.2247 -0.3080  0.4171
+ 2288SOL    HW2 8437   3.636   3.587   0.681  1.0276 -0.4712  1.8099
+ 2289SOL     OW 8438   1.123   4.499   2.435 -0.4300  0.0205  0.1548
+ 2289SOL    HW1 8439   1.132   4.456   2.520 -0.4018 -1.1250 -0.4198
+ 2289SOL    HW2 8440   1.101   4.590   2.456 -0.7196 -0.3270  1.3746
+ 2290SOL     OW 8441   1.379   4.101   1.451  0.1365 -0.2284  0.5740
+ 2290SOL    HW1 8442   1.375   4.014   1.490 -0.7010 -0.1219  0.7361
+ 2290SOL    HW2 8443   1.471   4.126   1.457 -0.0881  0.1162  3.2481
+ 2291SOL     OW 8444   0.647   3.803   0.770  0.0632 -0.3217  0.3453
+ 2291SOL    HW1 8445   0.690   3.719   0.753  1.5430  0.3117  0.8670
+ 2291SOL    HW2 8446   0.603   3.790   0.854  1.4843 -0.1409  1.1356
+ 2292SOL     OW 8447   2.108   3.545   2.450  0.1986 -0.2585  0.2992
+ 2292SOL    HW1 8448   2.034   3.506   2.497 -2.3411  1.2688 -2.2398
+ 2292SOL    HW2 8449   2.146   3.606   2.513 -2.1442  0.5981  0.9375
+ 2293SOL     OW 8450   0.483   5.629   0.556 -0.3080  0.5361  0.1523
+ 2293SOL    HW1 8451   0.443   5.580   0.484  0.0042  0.8823 -0.2580
+ 2293SOL    HW2 8452   0.573   5.645   0.527 -0.0586  0.3276  0.7937
+ 2294SOL     OW 8453   7.900   0.811   2.534 -0.5859 -0.0095  0.0535
+ 2294SOL    HW1 8454   7.984   0.766   2.530 -0.6046 -0.0697  0.3676
+ 2294SOL    HW2 8455   7.868   0.811   2.443 -0.6936 -0.8266  0.0901
+ 2295SOL     OW 8456   1.360   4.413   1.408 -0.5037  0.1802  0.2875
+ 2295SOL    HW1 8457   1.291   4.445   1.465 -2.0940 -1.1665 -0.8242
+ 2295SOL    HW2 8458   1.367   4.320   1.428 -0.1328 -0.0215 -0.7127
+ 2296SOL     OW 8459   7.481   4.243   0.788  1.0812  0.0494  0.9863
+ 2296SOL    HW1 8460   7.514   4.157   0.815 -0.5512 -0.6320  0.8853
+ 2296SOL    HW2 8461   7.404   4.258   0.844 -0.1302  0.2916 -0.7106
+ 2297SOL     OW 8462   1.470   5.754   2.626  0.3491 -0.2225  0.4556
+ 2297SOL    HW1 8463   1.441   5.670   2.662  1.5668 -0.2992  1.2883
+ 2297SOL    HW2 8464   1.565   5.747   2.623  0.4072  0.7905 -0.3348
+ 2298SOL     OW 8465   0.047   2.936   1.051 -0.4605 -0.1479 -0.0075
+ 2298SOL    HW1 8466  -0.035   2.976   1.078 -0.0304  1.1945 -0.6469
+ 2298SOL    HW2 8467   0.112   3.006   1.058  0.7218 -1.2876  0.8814
+ 2299SOL     OW 8468   1.572   5.958   7.556  0.2631 -0.1334 -0.5115
+ 2299SOL    HW1 8469   1.660   5.948   7.592  0.0128  0.4057  0.2666
+ 2299SOL    HW2 8470   1.577   6.037   7.501 -0.1228  0.8348  0.8047
+ 2300SOL     OW 8471   6.547   3.380   1.332  0.0199  0.6119 -0.0600
+ 2300SOL    HW1 8472   6.589   3.465   1.328 -1.4956  1.3346 -1.2249
+ 2300SOL    HW2 8473   6.606   3.322   1.282  1.4367  0.7584  1.3779
+ 2301SOL     OW 8474   1.603   4.922   2.140  0.0667  0.4732  0.5614
+ 2301SOL    HW1 8475   1.625   4.982   2.212  1.4162  1.6509 -0.7889
+ 2301SOL    HW2 8476   1.665   4.944   2.071  0.3706 -2.3171 -0.0913
+ 2302SOL     OW 8477   1.238   5.346   2.913  0.6202  0.4178 -0.1843
+ 2302SOL    HW1 8478   1.285   5.382   2.989  0.7168 -0.0088 -0.0414
+ 2302SOL    HW2 8479   1.154   5.391   2.914  1.1255  1.3777 -0.5985
+ 2303SOL     OW 8480   0.246   4.436   7.549 -0.1595 -1.1379 -0.5094
+ 2303SOL    HW1 8481   0.262   4.351   7.590 -0.3341 -1.0339 -0.2243
+ 2303SOL    HW2 8482   0.327   4.485   7.562 -0.8421 -0.4557  1.3211
+ 2304SOL     OW 8483   0.543   5.328   1.639 -0.5665 -0.3571  0.2004
+ 2304SOL    HW1 8484   0.573   5.363   1.555  2.6275 -1.3127  0.9137
+ 2304SOL    HW2 8485   0.568   5.236   1.638 -1.1920 -0.5631  1.8999
+ 2305SOL     OW 8486   1.796   5.320   2.128  0.4154  0.0209  0.0642
+ 2305SOL    HW1 8487   1.784   5.231   2.096  3.2071 -1.1596  2.0469
+ 2305SOL    HW2 8488   1.877   5.350   2.087 -0.8057  1.9220 -1.0654
+ 2306SOL     OW 8489   7.737   5.969   2.058 -0.3012  0.7638 -0.6311
+ 2306SOL    HW1 8490   7.643   5.957   2.046 -0.6066  1.2603  1.1266
+ 2306SOL    HW2 8491   7.761   5.907   2.127  0.3331  1.8648  0.1506
+ 2307SOL     OW 8492   7.958   2.845   0.610  0.6716 -0.0271 -0.3279
+ 2307SOL    HW1 8493   7.945   2.756   0.578  2.9278 -0.5862  0.1746
+ 2307SOL    HW2 8494   8.032   2.878   0.559 -0.3840  1.7134 -0.7775
+ 2308SOL     OW 8495   2.353   6.442   6.555 -0.0746  0.1661  0.4995
+ 2308SOL    HW1 8496   2.414   6.386   6.603  0.7238 -1.7958 -2.6236
+ 2308SOL    HW2 8497   2.409   6.498   6.502 -0.9368  0.9237  0.3778
+ 2309SOL     OW 8498   7.527   3.480   0.234  0.4567 -0.0639  0.1397
+ 2309SOL    HW1 8499   7.552   3.396   0.271  0.6682  0.8047  2.0360
+ 2309SOL    HW2 8500   7.531   3.541   0.308  0.2387  1.5950 -1.1816
+ 2310SOL     OW 8501   2.536   4.467   1.007 -0.6200  0.0902 -0.4272
+ 2310SOL    HW1 8502   2.569   4.553   0.979 -0.6761 -0.2624 -1.5698
+ 2310SOL    HW2 8503   2.445   4.484   1.032 -0.5598  0.4044 -0.4120
+ 2311SOL     OW 8504   1.783   3.887   1.997  0.4609  0.2241 -0.2660
+ 2311SOL    HW1 8505   1.791   3.862   2.089  1.2867  0.5854 -0.2370
+ 2311SOL    HW2 8506   1.773   3.982   1.999  2.6483  0.4878 -0.6561
+ 2312SOL     OW 8507   1.038   5.514   1.423  0.4039 -0.2703 -0.3232
+ 2312SOL    HW1 8508   1.045   5.561   1.341  0.2156 -0.8875 -0.6979
+ 2312SOL    HW2 8509   1.017   5.424   1.398 -1.7448 -0.0277  0.4744
+ 2313SOL     OW 8510   7.817   5.027   1.234  0.1199 -0.7596  0.0677
+ 2313SOL    HW1 8511   7.859   5.085   1.171  1.5083 -0.8416  0.9138
+ 2313SOL    HW2 8512   7.878   4.954   1.245 -1.2976 -2.0554 -0.4611
+ 2314SOL     OW 8513   7.124   4.158   7.021 -0.7004  0.3728  0.5140
+ 2314SOL    HW1 8514   7.126   4.063   7.022  1.9181  0.3856  0.6844
+ 2314SOL    HW2 8515   7.106   4.183   7.111 -2.7503  0.0460  0.2083
+ 2315SOL     OW 8516   7.907   4.268   0.370 -0.5807 -0.1079  0.0221
+ 2315SOL    HW1 8517   7.852   4.328   0.321  2.2749  1.3011 -1.5556
+ 2315SOL    HW2 8518   7.932   4.201   0.307  0.2810 -0.1999  0.4563
+ 2316SOL     OW 8519   7.727   5.690   7.420 -0.1123  0.1690  0.3854
+ 2316SOL    HW1 8520   7.675   5.649   7.351 -0.7618 -1.8286  2.0069
+ 2316SOL    HW2 8521   7.750   5.618   7.478  0.2524  1.8543  2.3706
+ 2317SOL     OW 8522   1.919   6.088   2.229 -0.1614 -0.2451 -0.0501
+ 2317SOL    HW1 8523   1.955   6.171   2.199 -2.3700  0.4477 -0.8759
+ 2317SOL    HW2 8524   1.996   6.033   2.246  1.3309  2.1017  0.9854
+ 2318SOL     OW 8525   7.425   5.156   1.932 -0.8223 -0.5203 -0.2771
+ 2318SOL    HW1 8526   7.430   5.074   1.982 -0.4097  0.3977  1.1969
+ 2318SOL    HW2 8527   7.502   5.154   1.875  0.9470  0.3375  2.0624
+ 2319SOL     OW 8528   0.352   4.473   0.026 -0.2487  0.4103  0.6728
+ 2319SOL    HW1 8529   0.276   4.422  -0.000 -1.4752  1.3913  2.2158
+ 2319SOL    HW2 8530   0.412   4.469  -0.049 -1.9386 -0.1313 -0.6629
+ 2320SOL     OW 8531   1.264   3.369   1.835 -0.3830  0.3901 -0.4846
+ 2320SOL    HW1 8532   1.178   3.327   1.834  0.5192 -1.5239  0.2529
+ 2320SOL    HW2 8533   1.268   3.414   1.920 -0.5988  0.3476 -0.4528
+ 2321SOL     OW 8534   0.306   3.524   0.789 -0.1913  0.0498 -0.0638
+ 2321SOL    HW1 8535   0.320   3.431   0.809  0.2844  0.5587  2.0902
+ 2321SOL    HW2 8536   0.323   3.531   0.695 -0.3677 -2.0650 -0.2785
+ 2322SOL     OW 8537   2.717   5.583   3.031 -0.1423  0.0133  0.4319
+ 2322SOL    HW1 8538   2.767   5.656   3.066 -0.5016  0.7551 -0.5839
+ 2322SOL    HW2 8539   2.772   5.546   2.962 -0.7166  0.4537 -0.2743
+ 2323SOL     OW 8540   0.559   5.965   1.331 -0.1471  0.2883  0.3834
+ 2323SOL    HW1 8541   0.512   5.902   1.276  0.3145  0.0985  0.1951
+ 2323SOL    HW2 8542   0.535   5.941   1.420  0.9699 -0.9469  0.3732
+ 2324SOL     OW 8543   1.843   3.675   1.773  0.1090 -0.0318  0.2040
+ 2324SOL    HW1 8544   1.882   3.754   1.736 -2.8225  1.1377 -0.5596
+ 2324SOL    HW2 8545   1.815   3.702   1.861  0.9109 -0.8350  0.7189
+ 2325SOL     OW 8546   3.424   3.785   0.595  0.3043 -0.5029  0.1706
+ 2325SOL    HW1 8547   3.343   3.776   0.545  1.4027  1.0178 -1.9578
+ 2325SOL    HW2 8548   3.403   3.847   0.665  0.1819  1.6144 -1.6958
+ 2326SOL     OW 8549   2.158   4.126   7.574  0.1608 -0.3420 -0.5694
+ 2326SOL    HW1 8550   2.100   4.202   7.582 -0.5385 -0.9351  0.1804
+ 2326SOL    HW2 8551   2.246   4.163   7.571 -0.1141  0.4700  0.7472
+ 2327SOL     OW 8552   7.451   4.664   6.757 -0.9767  0.0416 -0.0841
+ 2327SOL    HW1 8553   7.396   4.722   6.809  1.8726  1.1394  1.7956
+ 2327SOL    HW2 8554   7.453   4.706   6.670  0.0731  2.1241  0.9183
+ 2328SOL     OW 8555   1.467   5.117   2.840 -0.0230  0.4605  0.1504
+ 2328SOL    HW1 8556   1.435   5.027   2.851  1.3449 -0.0519  0.0617
+ 2328SOL    HW2 8557   1.406   5.170   2.891 -2.0504 -0.2592 -1.4594
+ 2329SOL     OW 8558   0.907   4.150   7.429 -0.4048  0.9371 -0.4323
+ 2329SOL    HW1 8559   0.894   4.169   7.522 -0.3985  1.6813 -0.5805
+ 2329SOL    HW2 8560   0.831   4.188   7.385 -0.0575  1.2163 -0.8044
+ 2330SOL     OW 8561   7.918   2.610   0.470  0.3052 -0.1748  0.3336
+ 2330SOL    HW1 8562   7.840   2.621   0.415 -0.0735 -2.9108  0.2321
+ 2330SOL    HW2 8563   7.966   2.539   0.428  1.4793 -0.3457  1.9311
+ 2331SOL     OW 8564   7.737   3.544   7.272 -0.3753 -0.1906 -0.1752
+ 2331SOL    HW1 8565   7.646   3.566   7.250 -0.4629 -1.0578 -0.7016
+ 2331SOL    HW2 8566   7.730   3.497   7.355 -0.7061 -2.6966 -1.5633
+ 2332SOL     OW 8567   1.387   5.197   7.858 -0.1600 -0.0790 -0.7353
+ 2332SOL    HW1 8568   1.406   5.103   7.857 -0.7481 -0.1959 -0.7622
+ 2332SOL    HW2 8569   1.327   5.208   7.932 -0.7439  0.1543 -1.2462
+ 2333SOL     OW 8570   7.936   4.914   2.159  0.4236 -0.2636 -0.0547
+ 2333SOL    HW1 8571   7.961   4.857   2.231  3.1962  0.3919 -0.4349
+ 2333SOL    HW2 8572   7.978   4.998   2.179  0.0708  0.3308 -1.7269
+ 2334SOL     OW 8573   0.990   2.453   2.870 -0.5620 -0.3705 -0.3639
+ 2334SOL    HW1 8574   0.934   2.522   2.906 -0.0150 -0.1896  0.1619
+ 2334SOL    HW2 8575   1.071   2.498   2.847 -0.1425 -0.8671  0.1357
+ 2335SOL     OW 8576   6.667   4.285   2.861 -0.4739  0.2731  0.2074
+ 2335SOL    HW1 8577   6.587   4.269   2.812 -1.4817 -0.1278  1.9348
+ 2335SOL    HW2 8578   6.718   4.205   2.851 -1.8729 -0.8826  2.0232
+ 2336SOL     OW 8579   1.201   7.185   2.599  0.0664  0.0132  0.3373
+ 2336SOL    HW1 8580   1.212   7.246   2.526  1.3549  0.3842  0.8230
+ 2336SOL    HW2 8581   1.121   7.137   2.579  0.5850 -0.1250 -1.4797
+ 2337SOL     OW 8582   0.989   5.034   1.154 -0.2024 -0.2918 -0.2773
+ 2337SOL    HW1 8583   1.010   4.981   1.077 -0.3434 -2.8265  1.3637
+ 2337SOL    HW2 8584   0.914   4.990   1.194  0.2567  0.5992  1.6519
+ 2338SOL     OW 8585   1.496   6.449   2.932 -0.3195  0.1322  0.0610
+ 2338SOL    HW1 8586   1.474   6.536   2.898  0.6031  0.4616  0.2899
+ 2338SOL    HW2 8587   1.548   6.409   2.863 -1.1501 -0.4279 -0.2449
+ 2339SOL     OW 8588   2.183   4.484   1.633 -0.0587  0.2345  0.0807
+ 2339SOL    HW1 8589   2.119   4.496   1.703 -1.0981 -2.3803 -0.3676
+ 2339SOL    HW2 8590   2.141   4.522   1.556  0.2288  1.2624  0.4216
+ 2340SOL     OW 8591   7.289   4.153   3.130  0.2783  0.0022  0.1478
+ 2340SOL    HW1 8592   7.286   4.136   3.224 -0.7286  0.2335  0.1592
+ 2340SOL    HW2 8593   7.333   4.076   3.094  1.0263  0.0911  0.8419
+ 2341SOL     OW 8594   1.369   3.853   3.739  0.3485  0.6000  0.2256
+ 2341SOL    HW1 8595   1.361   3.758   3.742  1.5002  0.4736 -0.4570
+ 2341SOL    HW2 8596   1.283   3.885   3.768  0.4569 -0.6316  2.0551
+ 2342SOL     OW 8597   7.626   4.787   1.766  0.3871 -0.0263  0.3315
+ 2342SOL    HW1 8598   7.563   4.856   1.744 -0.1761 -0.2159  1.3261
+ 2342SOL    HW2 8599   7.677   4.824   1.839  0.2110 -0.5838  0.7392
+ 2343SOL     OW 8600   0.011   5.492   3.391  0.3379  0.3514 -0.3607
+ 2343SOL    HW1 8601   0.098   5.503   3.352  0.1712 -0.9839 -1.1327
+ 2343SOL    HW2 8602  -0.035   5.573   3.369  0.8935  0.4381 -1.2258
+ 2344SOL     OW 8603   7.377   4.065   3.403  0.2655  0.2137 -0.2962
+ 2344SOL    HW1 8604   7.347   4.002   3.469  0.1983 -1.1049 -1.5654
+ 2344SOL    HW2 8605   7.473   4.058   3.406  0.2342 -0.9492 -1.3527
+ 2345SOL     OW 8606   1.557   2.947   2.904 -0.2903 -0.4088 -0.4276
+ 2345SOL    HW1 8607   1.484   2.937   2.843 -1.3166 -0.0910  0.7150
+ 2345SOL    HW2 8608   1.543   3.032   2.945  0.9072 -0.2010 -0.4229
+ 2346SOL     OW 8609   0.800   3.182   2.974  0.2640  0.1026 -0.2565
+ 2346SOL    HW1 8610   0.885   3.139   2.985 -0.0606 -0.3364  0.5528
+ 2346SOL    HW2 8611   0.773   3.157   2.885  0.2274 -1.1147  0.0871
+ 2347SOL     OW 8612   1.027   5.169   1.891 -0.2218  0.4003  0.5414
+ 2347SOL    HW1 8613   0.976   5.166   1.972 -0.3124  0.2063  0.4779
+ 2347SOL    HW2 8614   1.073   5.252   1.895  0.9665 -0.2853  1.5225
+ 2348SOL     OW 8615   7.257   6.390   2.154  0.0355  0.5277  0.4404
+ 2348SOL    HW1 8616   7.272   6.429   2.240  2.1398  0.5115  0.1103
+ 2348SOL    HW2 8617   7.295   6.302   2.161  2.3367  1.3292 -1.1585
+ 2349SOL     OW 8618   7.750   2.855   1.708 -0.0646 -0.5107 -0.2093
+ 2349SOL    HW1 8619   7.693   2.932   1.701  1.3818  0.6580  0.4895
+ 2349SOL    HW2 8620   7.839   2.890   1.701  0.6515 -2.0135  0.8895
+ 2350SOL     OW 8621   6.914   6.280   1.615 -0.0010  0.5845  0.2402
+ 2350SOL    HW1 8622   6.823   6.249   1.620 -0.0885 -0.0683 -4.1832
+ 2350SOL    HW2 8623   6.956   6.222   1.552  2.8870  2.4197  0.3884
+ 2351SOL     OW 8624   0.658   4.018   2.966  0.0670 -0.5359 -0.0945
+ 2351SOL    HW1 8625   0.654   4.069   2.885  0.2176  0.7730  0.7051
+ 2351SOL    HW2 8626   0.751   3.997   2.976 -0.1711 -2.1575 -1.1345
+ 2352SOL     OW 8627   0.661   4.588   4.112  0.4026 -0.1666 -0.3201
+ 2352SOL    HW1 8628   0.667   4.513   4.171  0.9043 -0.2302 -0.4579
+ 2352SOL    HW2 8629   0.741   4.585   4.060  0.0609  0.0163 -0.8600
+ 2353SOL     OW 8630   7.954   4.210   3.578  0.3130 -0.2649  0.1054
+ 2353SOL    HW1 8631   8.018   4.277   3.555  0.9462 -0.6660  0.6930
+ 2353SOL    HW2 8632   7.870   4.255   3.576  0.6677  0.3893 -0.1498
+ 2354SOL     OW 8633   2.084   3.407   4.589  0.1638  0.4123  0.4414
+ 2354SOL    HW1 8634   2.020   3.382   4.522  0.4757 -0.3232  0.4086
+ 2354SOL    HW2 8635   2.051   3.489   4.625 -0.2266  0.5972 -0.3309
+ 2355SOL     OW 8636   2.365   6.236   2.311 -0.1528  0.2124  0.6100
+ 2355SOL    HW1 8637   2.455   6.264   2.326 -1.0563  1.8760  3.2651
+ 2355SOL    HW2 8638   2.353   6.161   2.370 -0.0310 -1.1332 -1.0105
+ 2356SOL     OW 8639   2.318   4.402   2.894 -0.0185  0.3283  0.1029
+ 2356SOL    HW1 8640   2.307   4.469   2.825 -1.1124 -0.1162 -0.1698
+ 2356SOL    HW2 8641   2.266   4.435   2.967 -1.5099 -0.7536 -0.4314
+ 2357SOL     OW 8642   0.545   4.943   2.371  0.0694  0.3748 -0.5558
+ 2357SOL    HW1 8643   0.549   5.024   2.422 -1.4510  1.2527 -1.7602
+ 2357SOL    HW2 8644   0.457   4.944   2.333 -0.0084 -1.9263 -0.4667
+ 2358SOL     OW 8645   1.291   4.473   2.218 -0.5353  0.2780  0.4423
+ 2358SOL    HW1 8646   1.222   4.476   2.284  1.3914 -0.8542  2.5839
+ 2358SOL    HW2 8647   1.319   4.381   2.216  1.0867  0.7596 -0.1557
+ 2359SOL     OW 8648   1.427   4.236   2.194  0.1674  0.0224  0.2600
+ 2359SOL    HW1 8649   1.520   4.234   2.215  0.8433 -1.8628 -2.5606
+ 2359SOL    HW2 8650   1.389   4.167   2.248  1.0011 -1.4014 -0.9252
+ 2360SOL     OW 8651   1.102   2.967   3.447 -0.2277  0.0775  0.2169
+ 2360SOL    HW1 8652   1.131   3.028   3.514  3.0362  0.5680 -1.5378
+ 2360SOL    HW2 8653   1.072   2.890   3.495  1.1202  0.8005  2.2682
+ 2361SOL     OW 8654   6.602   4.145   1.826  0.2579  0.1514 -0.0869
+ 2361SOL    HW1 8655   6.635   4.213   1.885  1.3354 -1.1429  0.8573
+ 2361SOL    HW2 8656   6.588   4.069   1.883 -1.9530 -0.1107 -0.9412
+ 2362SOL     OW 8657   1.545   3.833   4.143 -0.2133 -0.2488 -0.5987
+ 2362SOL    HW1 8658   1.566   3.749   4.184  1.0795 -0.3358 -1.4145
+ 2362SOL    HW2 8659   1.555   3.817   4.049  0.7222  1.0019 -0.7173
+ 2363SOL     OW 8660   2.293   3.193   4.266  0.3011 -0.0464 -0.2013
+ 2363SOL    HW1 8661   2.274   3.285   4.252  0.1070 -0.1338 -0.5207
+ 2363SOL    HW2 8662   2.378   3.179   4.225  0.3290 -0.0093 -0.1548
+ 2364SOL     OW 8663   1.480   3.573   3.324  0.3024 -0.0876 -0.6428
+ 2364SOL    HW1 8664   1.426   3.617   3.390 -0.4758  0.8903 -1.9181
+ 2364SOL    HW2 8665   1.529   3.507   3.374  0.7673  1.5553  1.1438
+ 2365SOL     OW 8666   0.022   4.478   3.151  0.6702  0.2333 -0.3532
+ 2365SOL    HW1 8667  -0.045   4.440   3.094 -0.1058 -1.0791  1.4144
+ 2365SOL    HW2 8668  -0.026   4.513   3.225  1.7225  1.5922 -0.2944
+ 2366SOL     OW 8669   2.336   7.488   3.810  0.3335 -0.1857  0.5156
+ 2366SOL    HW1 8670   2.325   7.479   3.715  1.6330 -3.0684  0.5863
+ 2366SOL    HW2 8671   2.370   7.576   3.822 -2.3365  1.1872 -1.4611
+ 2367SOL     OW 8672   0.587   4.974   2.720  0.1454 -0.2291  0.1660
+ 2367SOL    HW1 8673   0.524   4.977   2.792 -1.1059  1.3183 -0.9520
+ 2367SOL    HW2 8674   0.593   4.881   2.698  0.3951 -0.7051  2.1094
+ 2368SOL     OW 8675   1.890   4.548   2.529  0.3938 -0.2911  0.7057
+ 2368SOL    HW1 8676   1.834   4.505   2.464 -0.7219 -1.5942  2.5057
+ 2368SOL    HW2 8677   1.923   4.477   2.584  0.5296  0.8948  2.1857
+ 2369SOL     OW 8678   0.539   4.370   2.779 -0.1861  0.2896 -0.1742
+ 2369SOL    HW1 8679   0.538   4.419   2.861 -2.6108 -2.8618  1.8086
+ 2369SOL    HW2 8680   0.618   4.316   2.784 -0.1954  0.2889 -0.0383
+ 2370SOL     OW 8681   1.238   3.636   2.371 -0.2416 -0.0691  0.2060
+ 2370SOL    HW1 8682   1.281   3.612   2.289 -2.5618  0.2629 -1.1402
+ 2370SOL    HW2 8683   1.253   3.561   2.429  0.1311 -0.9513 -1.0070
+ 2371SOL     OW 8684   1.677   3.148   2.640  0.1119 -0.3616  0.4823
+ 2371SOL    HW1 8685   1.692   3.062   2.601  2.1291  0.2646 -0.2222
+ 2371SOL    HW2 8686   1.745   3.156   2.707 -0.3933  0.4648  0.9052
+ 2372SOL     OW 8687   0.672   4.995   1.606 -0.3352 -0.3755  0.2864
+ 2372SOL    HW1 8688   0.699   4.930   1.671 -1.0572 -1.5913 -0.6007
+ 2372SOL    HW2 8689   0.603   4.951   1.556  0.5769  0.3270 -1.6553
+ 2373SOL     OW 8690   7.251   4.045   3.655 -0.1494 -0.2915 -0.0151
+ 2373SOL    HW1 8691   7.160   4.052   3.626  0.1045  0.0562 -0.7482
+ 2373SOL    HW2 8692   7.248   4.060   3.749 -0.4271  3.6127 -0.5536
+ 2374SOL     OW 8693   0.398   5.046   5.970 -0.1127 -0.3933  0.1273
+ 2374SOL    HW1 8694   0.317   5.096   5.977  0.0457 -0.2925  1.3373
+ 2374SOL    HW2 8695   0.370   4.955   5.984  0.0987 -0.2690  1.3935
+ 2375SOL     OW 8696   1.823   2.954   2.929 -0.2841 -0.7309 -0.3522
+ 2375SOL    HW1 8697   1.850   2.869   2.894 -0.6968 -0.4902 -1.2839
+ 2375SOL    HW2 8698   1.727   2.947   2.937 -0.0708 -1.2694  2.0712
+ 2376SOL     OW 8699   1.458   3.720   2.107  0.1276  0.4723 -0.0871
+ 2376SOL    HW1 8700   1.466   3.802   2.155  1.3408  1.1874 -1.4635
+ 2376SOL    HW2 8701   1.540   3.674   2.124 -0.5910 -0.5349  0.7706
+ 2377SOL     OW 8702   0.362   3.290   4.185 -0.1220  0.5761  0.4032
+ 2377SOL    HW1 8703   0.348   3.339   4.104 -0.2285  0.0351  0.0897
+ 2377SOL    HW2 8704   0.288   3.312   4.241 -0.8196 -0.1875 -0.2163
+ 2378SOL     OW 8705   7.693   5.061   2.623  0.0003 -0.2675 -0.1214
+ 2378SOL    HW1 8706   7.706   5.117   2.700 -0.8956  1.6840 -1.3601
+ 2378SOL    HW2 8707   7.603   5.031   2.631  0.8128 -2.4709  1.1188
+ 2379SOL     OW 8708   7.152   7.183   4.146  0.2681 -0.6867  0.5690
+ 2379SOL    HW1 8709   7.063   7.157   4.123  0.1528  1.6151 -1.7801
+ 2379SOL    HW2 8710   7.148   7.278   4.156  2.5922 -0.4592 -0.2338
+ 2380SOL     OW 8711   7.368   5.131   3.842 -0.2358 -0.1089  0.6769
+ 2380SOL    HW1 8712   7.349   5.146   3.749  0.1393  0.1454  0.6421
+ 2380SOL    HW2 8713   7.286   5.098   3.878 -0.6307  0.5888  0.4314
+ 2381SOL     OW 8714   1.018   5.749   5.110 -0.3123 -0.0946  0.1287
+ 2381SOL    HW1 8715   1.055   5.792   5.033  1.5900 -0.0378  1.0624
+ 2381SOL    HW2 8716   1.051   5.799   5.184 -2.1628 -0.1293  1.0051
+ 2382SOL     OW 8717   0.747   5.590   3.780  0.7005 -1.2003 -0.0862
+ 2382SOL    HW1 8718   0.764   5.568   3.872  0.4207  0.7747  0.4500
+ 2382SOL    HW2 8719   0.706   5.511   3.744  0.9209 -2.0367  1.4549
+ 2383SOL     OW 8720   7.608   4.302   5.653 -0.2207 -0.4704 -0.4510
+ 2383SOL    HW1 8721   7.681   4.283   5.595 -0.3868  1.5747 -1.4048
+ 2383SOL    HW2 8722   7.567   4.217   5.670  2.0802 -1.5699 -0.2604
+ 2384SOL     OW 8723   7.124   4.263   0.655 -0.2953  0.0046  0.1739
+ 2384SOL    HW1 8724   7.180   4.339   0.640 -0.6549  0.0442 -0.9954
+ 2384SOL    HW2 8725   7.043   4.300   0.692  0.2310 -0.0023  1.3577
+ 2385SOL     OW 8726   0.456   3.390   2.578 -0.1801 -0.6587  0.2306
+ 2385SOL    HW1 8727   0.525   3.442   2.620 -0.5738 -1.0857  1.4413
+ 2385SOL    HW2 8728   0.405   3.355   2.651 -2.0942  0.2124 -0.6458
+ 2386SOL     OW 8729   2.864   6.303   4.109  0.4914  0.4832 -0.1789
+ 2386SOL    HW1 8730   2.835   6.390   4.084  1.3560  0.7843 -0.1531
+ 2386SOL    HW2 8731   2.874   6.307   4.204  0.4846  0.3428 -0.1721
+ 2387SOL     OW 8732   1.913   5.547   2.543  0.1531  0.0032 -0.2134
+ 2387SOL    HW1 8733   1.820   5.525   2.541 -0.4012  2.3132 -0.9485
+ 2387SOL    HW2 8734   1.937   5.538   2.636 -1.3437  1.4572  0.3494
+ 2388SOL     OW 8735   1.092   4.675   7.677 -1.1018  0.3326  0.3071
+ 2388SOL    HW1 8736   1.169   4.732   7.681 -0.7497 -0.1426  0.3776
+ 2388SOL    HW2 8737   1.067   4.663   7.769 -0.2078 -0.9197  0.4023
+ 2389SOL     OW 8738   2.703   5.235   4.143 -0.4823  0.3048 -0.1825
+ 2389SOL    HW1 8739   2.726   5.143   4.152 -0.5242  0.3244  0.1198
+ 2389SOL    HW2 8740   2.678   5.244   4.051  2.7956  0.7670 -1.0977
+ 2390SOL     OW 8741   0.159   4.681   3.028  0.1657 -1.1501 -0.2949
+ 2390SOL    HW1 8742   0.205   4.720   3.103 -1.0862  0.5195 -0.3747
+ 2390SOL    HW2 8743   0.106   4.611   3.066  0.8166 -1.4195  0.1353
+ 2391SOL     OW 8744   7.660   5.217   1.696  0.4906 -0.1564  0.3031
+ 2391SOL    HW1 8745   7.634   5.140   1.645 -2.3637 -0.1322  1.5851
+ 2391SOL    HW2 8746   7.703   5.180   1.773  0.9105 -0.3805 -0.0355
+ 2392SOL     OW 8747   7.575   4.605   3.675 -0.0782  1.0939  0.1269
+ 2392SOL    HW1 8748   7.518   4.616   3.599  0.5666  2.8020 -0.1234
+ 2392SOL    HW2 8749   7.644   4.670   3.663  0.9375  0.2443  1.3349
+ 2393SOL     OW 8750   0.613   5.869   2.152 -0.2737 -0.0137 -0.2150
+ 2393SOL    HW1 8751   0.521   5.867   2.125 -0.4074 -3.4572  0.3543
+ 2393SOL    HW2 8752   0.662   5.849   2.072 -0.2159 -1.6148  0.2122
+ 2394SOL     OW 8753   0.497   6.655   2.976  0.4551  0.5558 -0.1399
+ 2394SOL    HW1 8754   0.524   6.721   2.913  0.3983  2.4851  1.7691
+ 2394SOL    HW2 8755   0.487   6.704   3.058  0.6408 -1.8727  1.3796
+ 2395SOL     OW 8756   2.061   5.470   4.227 -0.0327 -0.1986 -0.8906
+ 2395SOL    HW1 8757   2.101   5.499   4.309 -0.6181  1.5059 -1.1769
+ 2395SOL    HW2 8758   2.029   5.382   4.245  0.8387 -0.2638  0.3710
+ 2396SOL     OW 8759   7.520   5.866   1.559 -0.1878 -0.3944  0.2479
+ 2396SOL    HW1 8760   7.551   5.895   1.473 -2.3858  0.1750 -0.3694
+ 2396SOL    HW2 8761   7.462   5.792   1.540 -0.8957 -0.0934  1.2253
+ 2397SOL     OW 8762   0.566   6.084   5.059 -0.1061  0.3395 -0.4574
+ 2397SOL    HW1 8763   0.624   6.033   5.004 -1.2017 -1.5270  0.0720
+ 2397SOL    HW2 8764   0.620   6.114   5.131  0.4849 -0.3065 -0.6336
+ 2398SOL     OW 8765   7.912   4.585   2.817 -0.2851  0.5784  0.4765
+ 2398SOL    HW1 8766   7.873   4.633   2.890  0.3228  0.8314  0.6282
+ 2398SOL    HW2 8767   8.002   4.616   2.812 -0.6667  1.4760 -1.1719
+ 2399SOL     OW 8768   1.520   3.620   4.331  0.8607  0.0550  0.0203
+ 2399SOL    HW1 8769   1.548   3.547   4.276 -1.0077  1.3124 -2.6896
+ 2399SOL    HW2 8770   1.470   3.579   4.402 -1.0080 -1.2468 -2.0034
+ 2400SOL     OW 8771   0.051   3.699   3.956  0.5157 -0.2449  0.5108
+ 2400SOL    HW1 8772   0.086   3.695   3.867  0.3146 -0.7029  0.4509
+ 2400SOL    HW2 8773  -0.008   3.774   3.955 -2.3933 -2.4726 -0.8047
+ 2401SOL     OW 8774   0.878   2.829   2.692 -0.4925  0.4064 -0.1177
+ 2401SOL    HW1 8775   0.893   2.832   2.598 -0.0182 -0.0322 -0.0604
+ 2401SOL    HW2 8776   0.825   2.906   2.711 -2.6087 -0.7652 -1.1194
+ 2402SOL     OW 8777   1.885   5.102   5.033 -0.1486  0.3698  0.1963
+ 2402SOL    HW1 8778   1.942   5.104   5.110  0.0757  2.3867 -0.0001
+ 2402SOL    HW2 8779   1.796   5.108   5.069 -0.2478 -2.0639  0.4601
+ 2403SOL     OW 8780   1.953   4.299   2.650 -0.1673 -0.0257 -0.2626
+ 2403SOL    HW1 8781   2.001   4.276   2.730  0.0537 -2.3518 -1.0364
+ 2403SOL    HW2 8782   1.861   4.278   2.670 -0.2275  0.1436 -0.3559
+ 2404SOL     OW 8783   1.048   5.811   2.605  0.4569 -0.1148  0.0546
+ 2404SOL    HW1 8784   1.012   5.882   2.657  1.1586 -0.6321  1.2713
+ 2404SOL    HW2 8785   0.973   5.756   2.583  0.3198 -0.5895  1.6361
+ 2405SOL     OW 8786   1.553   4.454   2.761  0.2415  0.3529 -0.6636
+ 2405SOL    HW1 8787   1.587   4.519   2.699 -1.7377  2.5409  0.4831
+ 2405SOL    HW2 8788   1.464   4.436   2.731 -0.4246  0.7601  1.0101
+ 2406SOL     OW 8789   0.616   4.412   4.444 -0.3857 -0.3252 -0.2174
+ 2406SOL    HW1 8790   0.540   4.465   4.470  0.6120  0.2576  1.6458
+ 2406SOL    HW2 8791   0.587   4.365   4.366 -2.1551  1.0360 -0.4187
+ 2407SOL     OW 8792   1.995   5.598   2.285  0.0914 -0.1863  0.1023
+ 2407SOL    HW1 8793   1.974   5.555   2.368  2.9313  0.3556  1.1291
+ 2407SOL    HW2 8794   1.933   5.671   2.280 -1.1415 -1.1492  0.9749
+ 2408SOL     OW 8795   0.426   4.204   3.428  0.1344 -0.1527 -0.5868
+ 2408SOL    HW1 8796   0.459   4.115   3.437  0.0337 -0.4913 -3.1170
+ 2408SOL    HW2 8797   0.344   4.195   3.380 -0.4355  1.2275  0.0861
+ 2409SOL     OW 8798   0.821   2.660   2.907 -0.0326 -0.4671 -0.3249
+ 2409SOL    HW1 8799   0.863   2.713   2.839  0.0110 -0.8551 -0.6025
+ 2409SOL    HW2 8800   0.756   2.607   2.860  0.9193 -1.7169 -0.2780
+ 2410SOL     OW 8801   1.256   3.809   4.080  0.0649 -0.2609 -1.1270
+ 2410SOL    HW1 8802   1.184   3.778   4.135  1.3178 -1.8642 -0.3646
+ 2410SOL    HW2 8803   1.273   3.898   4.112 -0.8663 -0.2734 -0.5796
+ 2411SOL     OW 8804   0.081   7.480   3.016  0.3000 -0.1848 -0.6292
+ 2411SOL    HW1 8805   0.027   7.498   2.939 -0.8667  0.6029  0.3514
+ 2411SOL    HW2 8806   0.093   7.385   3.016  0.3507 -0.1800 -1.8043
+ 2412SOL     OW 8807   7.412   4.835   2.395  0.5012  0.1992  0.2333
+ 2412SOL    HW1 8808   7.498   4.797   2.377  0.3383 -0.4922  0.8968
+ 2412SOL    HW2 8809   7.420   4.926   2.368  0.5589 -0.5500 -2.4044
+ 2413SOL     OW 8810   2.216   6.792   1.382 -0.3630  0.0170 -0.2166
+ 2413SOL    HW1 8811   2.298   6.743   1.387  0.3603  1.3271  0.9652
+ 2413SOL    HW2 8812   2.152   6.734   1.424  0.4057 -0.0917  0.8230
+ 2414SOL     OW 8813   0.274   4.403   1.412 -0.2487  0.2490  0.1866
+ 2414SOL    HW1 8814   0.305   4.492   1.429  0.6859 -0.0771  0.1729
+ 2414SOL    HW2 8815   0.239   4.374   1.496  0.5231  0.1953  0.4941
+ 2415SOL     OW 8816   6.392   4.115   3.117  0.3042 -0.3236  0.2548
+ 2415SOL    HW1 8817   6.332   4.056   3.163 -0.1340  1.0296  1.4686
+ 2415SOL    HW2 8818   6.479   4.087   3.147  0.0965 -0.3554  0.8510
+ 2416SOL     OW 8819   1.252   2.492   3.473  0.0040  0.6594 -0.3945
+ 2416SOL    HW1 8820   1.306   2.547   3.415  0.4053  0.7546  0.0700
+ 2416SOL    HW2 8821   1.186   2.552   3.508  1.2552  1.1601  1.1587
+ 2417SOL     OW 8822   7.451   3.713   2.787  0.1598  0.2893 -0.6596
+ 2417SOL    HW1 8823   7.482   3.657   2.717 -2.3705 -0.0636 -1.5603
+ 2417SOL    HW2 8824   7.528   3.729   2.842  1.6307 -1.3577 -2.2028
+ 2418SOL     OW 8825   1.958   5.567   2.829  0.0939  0.1161  0.3365
+ 2418SOL    HW1 8826   1.893   5.507   2.866  0.3323 -0.3437  0.0131
+ 2418SOL    HW2 8827   2.042   5.533   2.859  0.2714 -0.1152 -0.4305
+ 2419SOL     OW 8828   2.589   6.818   2.857  0.8148  0.2161  0.2903
+ 2419SOL    HW1 8829   2.618   6.861   2.937  1.1431  0.1617  0.2035
+ 2419SOL    HW2 8830   2.572   6.727   2.883 -0.7615  0.6060  0.6719
+ 2420SOL     OW 8831   1.723   3.708   2.242 -0.5748 -0.3390 -0.5636
+ 2420SOL    HW1 8832   1.704   3.792   2.284  0.6603 -1.1251  1.6371
+ 2420SOL    HW2 8833   1.815   3.692   2.261 -0.9389 -2.4482 -0.5100
+ 2421SOL     OW 8834   1.622   5.435   2.871 -0.0163  0.1285 -0.3667
+ 2421SOL    HW1 8835   1.641   5.341   2.863  0.0150 -0.2261  3.0358
+ 2421SOL    HW2 8836   1.611   5.465   2.781  0.4500 -3.0392 -1.5509
+ 2422SOL     OW 8837   0.044   5.023   0.828  0.6644 -0.4435 -0.1075
+ 2422SOL    HW1 8838   0.107   4.952   0.819  2.4616  1.3175 -1.9957
+ 2422SOL    HW2 8839   0.085   5.097   0.783 -2.1423  1.1619 -0.1284
+ 2423SOL     OW 8840   1.190   5.638   3.179  0.5341  0.7540 -0.1242
+ 2423SOL    HW1 8841   1.191   5.723   3.134  2.8207  0.4657 -0.7037
+ 2423SOL    HW2 8842   1.238   5.580   3.120 -1.3735 -1.0612  0.0738
+ 2424SOL     OW 8843   1.170   1.482   3.804 -0.3644 -0.3548  0.1760
+ 2424SOL    HW1 8844   1.229   1.409   3.785  1.7069  0.8336  1.8295
+ 2424SOL    HW2 8845   1.150   1.520   3.719 -0.0114 -1.7413 -0.5375
+ 2425SOL     OW 8846   0.301   3.543   2.427  0.0542 -0.1956  0.6922
+ 2425SOL    HW1 8847   0.371   3.485   2.457 -1.6672 -1.7015  1.8544
+ 2425SOL    HW2 8848   0.248   3.489   2.369 -0.7232  0.6672  0.5971
+ 2426SOL     OW 8849   2.863   6.764   3.885  0.3914  0.7916 -0.6730
+ 2426SOL    HW1 8850   2.914   6.843   3.870 -0.0603  1.4178  0.9852
+ 2426SOL    HW2 8851   2.903   6.724   3.962  0.7363 -0.7126 -1.6023
+ 2427SOL     OW 8852   1.850   5.228   2.921 -0.0069  0.2207  0.5847
+ 2427SOL    HW1 8853   1.794   5.216   2.998 -0.1027 -1.5701  0.2487
+ 2427SOL    HW2 8854   1.915   5.293   2.948 -0.7045  0.4168  1.8077
+ 2428SOL     OW 8855   1.982   5.953   3.046 -0.6474  0.0361  0.0885
+ 2428SOL    HW1 8856   2.015   6.019   2.985 -0.5631 -0.0956 -0.0099
+ 2428SOL    HW2 8857   1.997   5.869   3.001 -2.1626  0.0318 -0.4582
+ 2429SOL     OW 8858   1.937   5.900   1.512  0.2719  0.5520  0.0116
+ 2429SOL    HW1 8859   1.969   5.873   1.426  0.6957  0.4608  0.1995
+ 2429SOL    HW2 8860   1.917   5.818   1.557 -2.1895  0.6315 -0.8416
+ 2430SOL     OW 8861   0.877   4.727   4.915 -0.1634 -0.0943 -0.4940
+ 2430SOL    HW1 8862   0.949   4.671   4.884 -1.0196 -0.9970 -0.9046
+ 2430SOL    HW2 8863   0.837   4.761   4.834 -0.0065  0.6504 -0.2594
+ 2431SOL     OW 8864   7.469   1.869   3.559 -0.0609  0.3285 -0.1209
+ 2431SOL    HW1 8865   7.413   1.920   3.617 -0.6355  0.4868 -0.8045
+ 2431SOL    HW2 8866   7.451   1.904   3.472  0.6044 -0.0752 -0.4203
+ 2432SOL     OW 8867   0.461   4.398   4.809 -0.1597 -0.4576 -0.3510
+ 2432SOL    HW1 8868   0.545   4.433   4.840 -0.5413 -0.8758  1.1740
+ 2432SOL    HW2 8869   0.404   4.401   4.886 -1.4643 -0.4320 -1.3154
+ 2433SOL     OW 8870   0.947   2.869   2.412 -0.1199  0.2050 -0.1348
+ 2433SOL    HW1 8871   0.899   2.790   2.389  0.8341 -0.5851  0.5208
+ 2433SOL    HW2 8872   0.937   2.927   2.337  0.7910 -1.3144 -1.4528
+ 2434SOL     OW 8873   0.243   3.435   4.786  0.3090  0.0365 -0.1482
+ 2434SOL    HW1 8874   0.306   3.384   4.734  1.0872  2.0354 -1.2132
+ 2434SOL    HW2 8875   0.187   3.478   4.721 -0.6541  0.1497  0.7495
+ 2435SOL     OW 8876   1.603   5.882   3.162 -0.4899 -0.4517 -0.5940
+ 2435SOL    HW1 8877   1.578   5.954   3.105  0.8144  0.7566  0.3460
+ 2435SOL    HW2 8878   1.646   5.819   3.104 -1.3390 -0.3503 -1.3505
+ 2436SOL     OW 8879   7.277   4.335   3.611  0.0441  0.1910  0.1374
+ 2436SOL    HW1 8880   7.304   4.329   3.703 -0.4447  1.3509  0.3653
+ 2436SOL    HW2 8881   7.346   4.288   3.563 -0.0544 -0.9943  1.1510
+ 2437SOL     OW 8882   0.427   4.750   1.266  0.7164  0.5103  0.5245
+ 2437SOL    HW1 8883   0.502   4.791   1.223  1.3999  0.8044  1.9574
+ 2437SOL    HW2 8884   0.360   4.746   1.198  2.3599 -0.6979 -1.0949
+ 2438SOL     OW 8885   0.212   2.235   2.928 -0.8867  0.4835 -0.0135
+ 2438SOL    HW1 8886   0.125   2.272   2.942 -0.7837  0.2095  1.4375
+ 2438SOL    HW2 8887   0.208   2.149   2.970 -0.0028  0.3485 -0.1948
+ 2439SOL     OW 8888   7.893   3.842   3.394 -0.1712  0.2247  0.2091
+ 2439SOL    HW1 8889   7.929   3.926   3.363  1.3023 -0.7167 -0.7508
+ 2439SOL    HW2 8890   7.813   3.865   3.440 -0.3460  2.0740 -0.9555
+ 2440SOL     OW 8891   2.630   5.668   3.499 -0.6325  0.1019 -0.5207
+ 2440SOL    HW1 8892   2.620   5.763   3.505 -0.5757  0.0985 -0.3858
+ 2440SOL    HW2 8893   2.725   5.655   3.494 -0.5074 -0.1142  2.1279
+ 2441SOL     OW 8894   2.102   4.171   2.861 -0.2806 -0.0236 -0.0868
+ 2441SOL    HW1 8895   2.171   4.223   2.903 -0.6943 -1.2400  2.1505
+ 2441SOL    HW2 8896   2.147   4.092   2.832 -0.5078 -0.3322  0.3981
+ 2442SOL     OW 8897   6.839   3.700   3.322  0.0506 -0.1644  0.6064
+ 2442SOL    HW1 8898   6.839   3.632   3.255 -0.1814  0.1591  0.2754
+ 2442SOL    HW2 8899   6.880   3.659   3.398 -0.4759 -0.8116  0.5473
+ 2443SOL     OW 8900   0.645   5.162   5.019 -0.2375 -0.3127 -0.5091
+ 2443SOL    HW1 8901   0.686   5.249   5.022 -0.3837 -0.3000  1.6720
+ 2443SOL    HW2 8902   0.718   5.101   5.025 -0.3651 -0.2940  1.7937
+ 2444SOL     OW 8903   2.107   5.303   3.585 -0.3189 -0.1010 -0.1423
+ 2444SOL    HW1 8904   2.153   5.218   3.586 -0.5725 -0.2877 -2.4321
+ 2444SOL    HW2 8905   2.055   5.301   3.505  0.2553  2.5441 -0.6158
+ 2445SOL     OW 8906   1.573   4.058   3.791  0.2881 -0.1353  0.0605
+ 2445SOL    HW1 8907   1.485   4.087   3.813  0.1347 -0.3878 -0.2116
+ 2445SOL    HW2 8908   1.576   4.062   3.695  0.1937 -1.2052  0.0078
+ 2446SOL     OW 8909   7.880   3.606   3.643  0.0683  0.0413 -0.2807
+ 2446SOL    HW1 8910   7.801   3.658   3.627  0.1576 -0.2110 -1.6264
+ 2446SOL    HW2 8911   7.857   3.517   3.614  0.4137 -0.3275  0.5610
+ 2447SOL     OW 8912   2.208   4.571   2.721 -0.2390 -0.8796  0.2971
+ 2447SOL    HW1 8913   2.206   4.517   2.642  0.7432 -1.3611  0.5953
+ 2447SOL    HW2 8914   2.190   4.660   2.690 -0.5451 -1.1673 -0.3687
+ 2448SOL     OW 8915   7.575   5.020   2.994 -0.0417  0.5081  0.5999
+ 2448SOL    HW1 8916   7.564   5.009   3.088  1.7631  1.1007  0.9028
+ 2448SOL    HW2 8917   7.584   5.115   2.982 -2.2005  0.6227 -0.4152
+ 2449SOL     OW 8918   0.768   4.825   3.258 -0.0240 -0.2627 -0.3175
+ 2449SOL    HW1 8919   0.771   4.832   3.162 -2.4511 -1.9663 -0.5446
+ 2449SOL    HW2 8920   0.825   4.751   3.278 -2.2175 -2.1019 -0.7489
+ 2450SOL     OW 8921   1.827   2.181   3.152 -0.0335  0.4125 -0.4111
+ 2450SOL    HW1 8922   1.772   2.103   3.151  1.7205 -0.8788  0.0443
+ 2450SOL    HW2 8923   1.882   2.170   3.229  0.3121  2.0610 -0.4104
+ 2451SOL     OW 8924   6.866   4.029   3.363  0.3507 -0.0785  0.5772
+ 2451SOL    HW1 8925   6.945   4.076   3.392  0.8974 -2.7930  3.8046
+ 2451SOL    HW2 8926   6.894   3.983   3.284  1.5430  0.1455  0.8564
+ 2452SOL     OW 8927   6.230   4.785   2.736 -0.0696 -0.2175 -0.4401
+ 2452SOL    HW1 8928   6.151   4.732   2.751  0.5307 -1.3431 -1.1715
+ 2452SOL    HW2 8929   6.226   4.809   2.643  0.3567 -0.1399 -0.4409
+ 2453SOL     OW 8930   2.061   4.538   4.400 -0.1709  0.2859  0.1714
+ 2453SOL    HW1 8931   2.038   4.547   4.307  1.1153  0.0778 -0.1726
+ 2453SOL    HW2 8932   2.144   4.586   4.409 -0.9227  1.3814  1.4829
+ 2454SOL     OW 8933   0.961   1.356   2.838  0.1487  0.2185 -0.0995
+ 2454SOL    HW1 8934   0.942   1.396   2.753 -1.0890 -1.7862 -0.8019
+ 2454SOL    HW2 8935   1.028   1.412   2.877 -0.2782  1.9412 -1.8010
+ 2455SOL     OW 8936   1.804   1.841   1.900 -0.0154 -0.6844 -0.4884
+ 2455SOL    HW1 8937   1.883   1.787   1.898  1.3933  1.3158 -0.7867
+ 2455SOL    HW2 8938   1.795   1.873   1.810 -0.8927 -0.5010 -0.3389
+ 2456SOL     OW 8939   1.614   6.177   1.960 -0.0810 -0.0635  0.3678
+ 2456SOL    HW1 8940   1.626   6.153   2.052 -1.3052 -2.0555  0.0351
+ 2456SOL    HW2 8941   1.540   6.125   1.930  0.4034  0.4088 -1.8082
+ 2457SOL     OW 8942   7.656   5.500   3.588 -0.0627  0.4129  0.3350
+ 2457SOL    HW1 8943   7.735   5.451   3.564  0.2326  0.2160  1.6549
+ 2457SOL    HW2 8944   7.649   5.489   3.683 -0.4572  2.2333  0.5436
+ 2458SOL     OW 8945   0.018   6.055   4.121  0.2254 -0.2431 -0.1214
+ 2458SOL    HW1 8946   0.041   6.110   4.197  3.6500 -0.9949 -0.5097
+ 2458SOL    HW2 8947  -0.047   5.993   4.155 -1.0410  1.7465  1.2301
+ 2459SOL     OW 8948   7.923   5.541   2.199  0.7874  0.3798  0.0335
+ 2459SOL    HW1 8949   8.011   5.550   2.163  0.2820  0.6136 -1.1663
+ 2459SOL    HW2 8950   7.875   5.616   2.164 -0.4192 -0.8250 -0.9255
+ 2460SOL     OW 8951   1.487   3.181   1.937  0.2310 -0.4781 -0.0628
+ 2460SOL    HW1 8952   1.535   3.252   1.979  2.5845 -0.5538 -2.4773
+ 2460SOL    HW2 8953   1.405   3.221   1.907  0.8020  0.8141  0.0744
+ 2461SOL     OW 8954   0.406   5.604   1.484 -0.3383 -0.2129 -0.5081
+ 2461SOL    HW1 8955   0.361   5.580   1.403 -1.2710 -1.1865  0.2728
+ 2461SOL    HW2 8956   0.487   5.553   1.483 -0.2920 -0.1281 -0.8932
+ 2462SOL     OW 8957   1.890   4.186   1.646 -0.2187 -0.1825 -0.0411
+ 2462SOL    HW1 8958   1.938   4.219   1.722  0.4144 -0.0862 -0.4802
+ 2462SOL    HW2 8959   1.819   4.248   1.633 -0.6651 -0.5116  0.8206
+ 2463SOL     OW 8960   0.573   4.046   2.106 -0.2494 -0.3092  1.0742
+ 2463SOL    HW1 8961   0.578   4.138   2.081  0.7462 -0.7663 -0.5072
+ 2463SOL    HW2 8962   0.483   4.035   2.138 -0.3070  1.2472  1.4727
+ 2464SOL     OW 8963   6.574   2.443   2.203  0.0719 -0.1669 -0.1582
+ 2464SOL    HW1 8964   6.570   2.468   2.295 -1.2933  0.6103 -0.4205
+ 2464SOL    HW2 8965   6.668   2.446   2.182  0.4387 -0.7185  1.2807
+ 2465SOL     OW 8966   0.496   4.802   4.599  0.0185 -0.3480  0.1198
+ 2465SOL    HW1 8967   0.521   4.894   4.613  2.0442 -1.0552  1.3591
+ 2465SOL    HW2 8968   0.514   4.785   4.507 -0.9640  0.6555 -0.2739
+ 2466SOL     OW 8969   0.794   4.567   2.532 -0.4742  0.0294  0.1701
+ 2466SOL    HW1 8970   0.724   4.632   2.535  1.4499  2.1842 -0.1039
+ 2466SOL    HW2 8971   0.792   4.532   2.443 -0.0878  1.3819 -0.3834
+ 2467SOL     OW 8972   7.336   5.214   2.408 -0.3784  0.3892 -0.1255
+ 2467SOL    HW1 8973   7.386   5.256   2.338  1.8299 -0.4987  0.8535
+ 2467SOL    HW2 8974   7.303   5.133   2.369  1.7491 -0.6413  0.0991
+ 2468SOL     OW 8975   0.543   5.911   1.738 -0.5607 -0.0332  0.1099
+ 2468SOL    HW1 8976   0.449   5.929   1.735 -0.8686 -1.6776 -1.0977
+ 2468SOL    HW2 8977   0.553   5.831   1.687  1.4153 -0.2508  0.7991
+ 2469SOL     OW 8978   0.235   6.055   3.164 -0.0408 -0.1136  0.7555
+ 2469SOL    HW1 8979   0.189   6.098   3.236  0.0956  1.4065 -0.0616
+ 2469SOL    HW2 8980   0.218   6.109   3.087  2.1277 -0.1662  0.1914
+ 2470SOL     OW 8981   0.450   4.211   1.689  0.5883  0.1626 -0.5807
+ 2470SOL    HW1 8982   0.508   4.240   1.618 -1.0501 -1.6048 -2.6947
+ 2470SOL    HW2 8983   0.383   4.279   1.695  0.1972 -0.1458 -1.3894
+ 2471SOL     OW 8984   0.143   5.116   1.918 -0.3401 -0.4556 -0.5695
+ 2471SOL    HW1 8985   0.203   5.161   1.858 -1.3939  1.8180  0.0271
+ 2471SOL    HW2 8986   0.118   5.036   1.871 -0.6539  0.9682 -2.9381
+ 2472SOL     OW 8987   0.399   3.027   3.062 -0.0729  0.3724  0.3420
+ 2472SOL    HW1 8988   0.353   3.112   3.059 -0.9630 -0.1310 -1.2597
+ 2472SOL    HW2 8989   0.328   2.963   3.068  0.5606 -0.2875  0.6834
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+ 2473SOL    HW1 8991   0.272   5.473   4.040  1.1296 -0.3497  0.1699
+ 2473SOL    HW2 8992   0.315   5.490   3.896 -0.0115 -1.6236 -0.3332
+ 2474SOL     OW 8993   1.444   3.281   2.750  0.2501  0.1049  0.0704
+ 2474SOL    HW1 8994   1.518   3.234   2.711 -1.7059 -0.0496 -3.6907
+ 2474SOL    HW2 8995   1.463   3.281   2.843  4.4036 -0.9440 -0.6489
+ 2475SOL     OW 8996   7.532   3.867   4.204 -0.4306  0.6084 -0.0459
+ 2475SOL    HW1 8997   7.608   3.921   4.224 -0.9908  2.3125 -2.2862
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+ 2477SOL    HW1 9003   1.687   3.616   3.630 -0.9558 -1.7705 -1.8358
+ 2477SOL    HW2 9004   1.579   3.703   3.569 -0.2553  0.7337  0.4018
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+ 2478SOL    HW1 9006   2.261   5.426   1.368 -0.3824 -1.5670 -0.6867
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+ 2479SOL    HW1 9009   1.338   4.775   1.645 -1.5659  0.4571 -0.9142
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+ 2480SOL    HW1 9012   0.338   4.709   4.737  0.4056 -0.8394  0.4823
+ 2480SOL    HW2 9013   0.254   4.765   4.849 -0.2933 -0.2298 -0.3362
+ 2481SOL     OW 9014   1.809   4.372   4.955  0.3321  0.0672 -0.3086
+ 2481SOL    HW1 9015   1.839   4.447   4.903 -0.9014  1.2339  0.6278
+ 2481SOL    HW2 9016   1.716   4.388   4.969 -0.0943 -1.9604 -0.5919
+ 2482SOL     OW 9017   2.717   5.548   0.511  0.1734 -0.1500  0.1650
+ 2482SOL    HW1 9018   2.699   5.487   0.439  1.4669 -0.5783  0.1963
+ 2482SOL    HW2 9019   2.631   5.582   0.535 -0.0803  1.6603 -3.0094
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+ 2483SOL    HW1 9021   1.222   5.006   2.775  0.8744  0.3679 -0.5196
+ 2483SOL    HW2 9022   1.296   4.879   2.813 -1.1565 -0.8959 -0.7129
+ 2484SOL     OW 9023   2.123   6.268   3.890 -0.0842  0.4833  0.3173
+ 2484SOL    HW1 9024   2.068   6.197   3.856 -0.2799  1.3331 -1.1720
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+ 2485SOL    HW1 9027   0.166   4.359   3.184 -0.7082 -1.5613 -2.7856
+ 2485SOL    HW2 9028   0.304   4.310   3.146  0.4540 -0.3268 -0.2158
+ 2486SOL     OW 9029   7.690   6.315   2.979 -0.1827 -0.1673  0.1174
+ 2486SOL    HW1 9030   7.709   6.257   3.053  0.0106 -0.4458 -0.1512
+ 2486SOL    HW2 9031   7.611   6.278   2.940 -0.0096 -0.3005 -0.1066
+ 2487SOL     OW 9032   1.881   4.945   3.117 -0.3280  0.4215 -0.7843
+ 2487SOL    HW1 9033   1.901   5.039   3.125 -1.2452  0.5497  0.0014
+ 2487SOL    HW2 9034   1.866   4.916   3.207 -0.2897 -0.4325 -1.0520
+ 2488SOL     OW 9035   0.794   5.508   1.119 -0.3199 -0.1911  0.0506
+ 2488SOL    HW1 9036   0.751   5.424   1.103  0.3632 -0.1969 -1.8550
+ 2488SOL    HW2 9037   0.759   5.566   1.052  1.5274  0.1766 -0.6400
+ 2489SOL     OW 9038   7.767   6.464   3.568  0.1406  0.2235  0.3333
+ 2489SOL    HW1 9039   7.681   6.483   3.605 -0.1692  0.2608 -0.4009
+ 2489SOL    HW2 9040   7.828   6.487   3.638 -0.4987 -0.9159  1.2761
+ 2490SOL     OW 9041   0.178   3.328   2.332  0.2170  0.6622  0.8033
+ 2490SOL    HW1 9042   0.138   3.333   2.245  0.0336  0.3075  0.8661
+ 2490SOL    HW2 9043   0.247   3.262   2.322  1.4456  1.9720  0.4363
+ 2491SOL     OW 9044   0.561   3.753   3.175  0.1425 -0.4892 -0.4445
+ 2491SOL    HW1 9045   0.645   3.740   3.219  1.0434 -2.5557 -2.6628
+ 2491SOL    HW2 9046   0.583   3.790   3.090 -1.3050  0.3049 -0.4875
+ 2492SOL     OW 9047   1.178   6.264   3.853 -0.4084  0.0290 -0.1114
+ 2492SOL    HW1 9048   1.243   6.195   3.841  0.6199  0.6775  1.4798
+ 2492SOL    HW2 9049   1.169   6.304   3.766  0.2057 -1.0402 -0.6737
+ 2493SOL     OW 9050   1.677   4.420   1.993  0.1227 -0.3324  0.0095
+ 2493SOL    HW1 9051   1.605   4.431   1.931  0.9043 -2.7187 -1.3883
+ 2493SOL    HW2 9052   1.739   4.489   1.970  0.1480 -0.8419 -1.5214
+ 2494SOL     OW 9053   2.037   3.332   0.384 -0.3755 -0.3652  0.1746
+ 2494SOL    HW1 9054   2.091   3.265   0.426  0.6407 -1.1842 -2.3253
+ 2494SOL    HW2 9055   1.987   3.285   0.317 -1.5728  0.9559  0.1081
+ 2495SOL     OW 9056   0.044   3.982   2.191  0.2560 -0.0535  0.1423
+ 2495SOL    HW1 9057   0.033   4.069   2.228  0.2847  0.2702 -0.5948
+ 2495SOL    HW2 9058  -0.018   3.979   2.118  0.2166 -0.6676  0.1991
+ 2496SOL     OW 9059   0.133   3.743   2.864 -0.0472  0.1683  0.1834
+ 2496SOL    HW1 9060   0.203   3.715   2.805  0.3070 -0.4574  0.8854
+ 2496SOL    HW2 9061   0.105   3.827   2.830  1.2711  0.5807  0.0826
+ 2497SOL     OW 9062   6.121   4.593   1.360 -0.3382 -0.5588  0.2366
+ 2497SOL    HW1 9063   6.172   4.578   1.280 -0.9791  0.6325 -0.4187
+ 2497SOL    HW2 9064   6.112   4.688   1.364 -2.2573 -0.7328  0.4879
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+ 2498SOL    HW1 9066   0.723   3.859   2.822  0.8962  0.7254 -1.2866
+ 2498SOL    HW2 9067   0.643   3.853   2.694  2.5322 -0.9438 -2.2406
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+ 2499SOL    HW1 9069   1.736   4.106   3.428  0.7983 -0.9909  1.6457
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+ 2500SOL     OW 9071   1.586   4.378   4.134 -0.3701  0.8351 -0.2182
+ 2500SOL    HW1 9072   1.545   4.295   4.159 -1.1385  1.3422  0.2072
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+ 2501SOL     OW 9074   2.236   6.468   3.040 -0.1221 -0.5459 -0.4437
+ 2501SOL    HW1 9075   2.291   6.390   3.036 -1.0367 -1.2514  0.5507
+ 2501SOL    HW2 9076   2.178   6.461   2.964 -0.4983 -1.0530 -0.1089
+ 2502SOL     OW 9077   7.499   6.712   2.197  0.3713  0.1105  0.1588
+ 2502SOL    HW1 9078   7.493   6.633   2.144  3.7994 -0.8310  1.0601
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+ 2503SOL    HW1 9081   2.254   2.983   4.395  1.2829  0.3582  0.3883
+ 2503SOL    HW2 9082   2.217   2.958   4.539 -0.3582  0.1933 -0.0497
+ 2504SOL     OW 9083   1.692   5.599   1.595 -0.9740 -0.1330 -0.1282
+ 2504SOL    HW1 9084   1.618   5.538   1.598 -1.2721  0.2662  0.7722
+ 2504SOL    HW2 9085   1.689   5.644   1.679 -0.2346  0.5175 -0.4485
+ 2505SOL     OW 9086   1.875   4.559   2.974 -0.0077  0.1791 -0.2809
+ 2505SOL    HW1 9087   1.803   4.516   3.019  0.9523 -1.0332  0.1320
+ 2505SOL    HW2 9088   1.833   4.610   2.904 -1.2504 -0.4785 -0.0292
+ 2506SOL     OW 9089   0.976   6.632   2.209  0.5042  0.0788 -0.6549
+ 2506SOL    HW1 9090   1.008   6.542   2.201 -0.0557 -0.1167 -0.6925
+ 2506SOL    HW2 9091   1.027   6.668   2.281  1.1725 -0.0717 -1.0388
+ 2507SOL     OW 9092   7.888   3.715   2.565  0.1176 -0.0139 -0.0140
+ 2507SOL    HW1 9093   7.946   3.788   2.584 -0.0584  0.0871  0.1387
+ 2507SOL    HW2 9094   7.813   3.728   2.623  0.5334 -0.8526  0.7316
+ 2508SOL     OW 9095   1.990   5.074   2.748 -0.0210  0.4259  0.1791
+ 2508SOL    HW1 9096   1.933   5.119   2.811 -0.4794 -0.4197  0.3758
+ 2508SOL    HW2 9097   2.026   5.000   2.797 -0.7327 -0.5031 -0.6635
+ 2509SOL     OW 9098   7.514   3.677   7.590 -0.0278 -0.0671 -0.2545
+ 2509SOL    HW1 9099   7.503   3.701   7.498  1.4777  0.8126 -0.2158
+ 2509SOL    HW2 9100   7.606   3.693   7.609  0.1811 -2.3662  0.8127
+ 2510SOL     OW 9101   0.277   6.250   1.538  0.0705  0.5377 -0.0186
+ 2510SOL    HW1 9102   0.210   6.190   1.570  1.9687 -1.0123  1.1355
+ 2510SOL    HW2 9103   0.231   6.334   1.528 -2.1040 -0.5640  0.4155
+ 2511SOL     OW 9104   1.672   5.668   2.999  0.3645  0.3016 -0.6076
+ 2511SOL    HW1 9105   1.649   5.583   2.961  0.1593  1.0098 -2.0912
+ 2511SOL    HW2 9106   1.767   5.664   3.010  0.0146 -1.3225  2.3424
+ 2512SOL     OW 9107   0.621   4.312   2.037  0.4339 -0.3939 -0.5476
+ 2512SOL    HW1 9108   0.545   4.370   2.037  0.3953 -0.4330  1.5435
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+ 2513SOL    HW1 9111   1.226   3.216   2.627 -1.9297  0.7843 -1.4364
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+ 2514SOL    HW1 9114   0.365   5.914   3.204 -1.2668 -0.4613  0.8153
+ 2514SOL    HW2 9115   0.469   5.933   3.312  0.7573  0.1828 -1.2149
+ 2515SOL     OW 9116   0.204   3.267   5.567  0.3155  0.0882 -0.1859
+ 2515SOL    HW1 9117   0.174   3.272   5.476  0.3512 -0.3932 -0.2280
+ 2515SOL    HW2 9118   0.140   3.318   5.616  1.3481  1.9334 -0.7325
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+ 2516SOL    HW1 9120   0.987   5.681   2.336 -0.0327  0.4185  0.9864
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+ 2517SOL    HW1 9123   0.565   4.904   3.527  0.3779  0.0944  0.6256
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+ 2560SOL    HW1 9252   1.397   5.302   5.599  0.2038  0.1113 -2.1936
+ 2560SOL    HW2 9253   1.252   5.308   5.641  0.4587  1.3404 -1.4534
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+ 2561SOL    HW1 9255   0.119   4.587   3.765 -1.3493  0.2355  0.2224
+ 2561SOL    HW2 9256   0.078   4.471   3.852  0.2135 -0.8222 -0.4118
+ 2562SOL     OW 9257   6.754   3.526   5.802  0.2325  0.0057  0.5573
+ 2562SOL    HW1 9258   6.830   3.526   5.860 -0.1010 -1.0509  0.9935
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+ 2563SOL    HW1 9261   0.013   5.840   3.718  0.8156  1.0947  0.8860
+ 2563SOL    HW2 9262   0.118   5.847   3.610  1.3378  0.4333  1.3457
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+ 2564SOL    HW1 9264   2.521   2.835   4.898  0.0302 -0.2827  0.5379
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+ 2565SOL    HW1 9267   2.078   5.074   5.360 -1.8817  0.3658 -1.1426
+ 2565SOL    HW2 9268   2.038   4.931   5.389  1.3191 -0.2605  0.3712
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+ 2566SOL    HW1 9270   1.070   5.147   5.960 -0.3798 -0.6442 -0.2873
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+ 2567SOL    HW1 9273   1.690   5.304   5.444  1.3811 -0.3536 -1.3098
+ 2567SOL    HW2 9274   1.708   5.455   5.448 -0.4308 -0.1020 -2.3092
+ 2568SOL     OW 9275   7.245   6.979   3.616 -0.1491  0.1572  0.0272
+ 2568SOL    HW1 9276   7.315   7.039   3.591  0.0081 -0.0224  0.0384
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+ 2569SOL    HW1 9279   2.742   5.343   3.822  0.1612  1.2136  0.7957
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+ 2570SOL    HW1 9282   0.799   5.986   4.856 -0.1989 -1.0596  0.8051
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+ 2571SOL    HW1 9285   6.565   5.385   3.881 -1.6996 -0.5961  1.5752
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+ 2572SOL    HW1 9288   2.026   4.113   4.399  1.7842  1.0007 -0.4860
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+ 2573SOL    HW1 9291   1.159   2.698   2.524  0.3420  0.0658  1.0739
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+ 2575SOL     OW 9296   7.898   3.848   6.595  0.3537 -0.5030  0.7672
+ 2575SOL    HW1 9297   7.965   3.780   6.593  0.0283 -0.8080 -0.2075
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+ 2576SOL    HW1 9300   2.328   3.231   4.475  0.3836 -1.7755  0.7767
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+ 2577SOL     OW 9302   4.247   6.477   4.881 -0.4622 -0.4792 -0.1992
+ 2577SOL    HW1 9303   4.331   6.482   4.927 -0.7803 -1.7329  0.5590
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+ 2578SOL     OW 9305   0.061   5.376   2.871 -0.2493 -0.5342  0.1569
+ 2578SOL    HW1 9306   0.018   5.462   2.868 -0.5530 -0.7160 -1.1425
+ 2578SOL    HW2 9307   0.003   5.322   2.925 -1.8042 -0.8352 -1.7538
+ 2579SOL     OW 9308   1.353   4.818   5.140  0.1529 -0.4391 -0.4826
+ 2579SOL    HW1 9309   1.400   4.744   5.180  1.6283 -0.0149 -1.4075
+ 2579SOL    HW2 9310   1.305   4.779   5.067 -2.6727 -1.2434  1.7496
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+ 2580SOL    HW1 9312   7.730   6.012   6.055 -3.0181  0.3960  1.9150
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+ 2582SOL     OW 9317   7.940   5.149   3.244 -0.5674  1.1492  0.1321
+ 2582SOL    HW1 9318   7.971   5.164   3.155 -1.4426 -0.0829 -0.3930
+ 2582SOL    HW2 9319   7.857   5.196   3.249 -1.6028 -0.5734 -0.4172
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+ 2583SOL    HW1 9321   1.034   4.257   4.815  2.4192  0.9126 -0.8088
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+ 2584SOL    HW1 9324   7.279   4.703   5.864 -2.0355 -1.0238  0.3344
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+ 2585SOL    HW1 9327   1.199   5.470   5.785 -1.1365  0.9785 -1.1142
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+ 2586SOL    HW1 9330   0.874   4.352   4.612  0.7873  0.8721 -1.6609
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+ 2589SOL    HW1 9339   0.498   5.147   4.894  1.1972  0.0418 -3.2169
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+ 2631SOL     OW 9464   2.279   3.554   4.745  0.4153 -0.2452 -0.1806
+ 2631SOL    HW1 9465   2.252   3.607   4.670  1.2102 -0.2262 -0.4537
+ 2631SOL    HW2 9466   2.245   3.467   4.726  0.7157 -0.2670 -0.6123
+ 2632SOL     OW 9467   7.343   3.230   4.742 -0.1130 -0.4242 -0.0382
+ 2632SOL    HW1 9468   7.326   3.158   4.681  0.3889  0.0771 -0.7659
+ 2632SOL    HW2 9469   7.385   3.187   4.817  0.2684 -0.8820 -0.5068
+ 2633SOL     OW 9470   0.919   6.724   4.011 -0.0422  0.3143  0.0592
+ 2633SOL    HW1 9471   0.992   6.665   3.990  0.7598  1.8922 -1.7404
+ 2633SOL    HW2 9472   0.882   6.688   4.092  0.6163 -2.4500 -0.8123
+ 2634SOL     OW 9473   7.810   5.321   4.228  0.3148 -0.1970 -0.2388
+ 2634SOL    HW1 9474   7.882   5.275   4.272  1.0324  0.3194 -0.8570
+ 2634SOL    HW2 9475   7.768   5.254   4.174  2.7737  0.2938 -2.9163
+ 2635SOL     OW 9476   1.142   2.707   3.108  0.7525  0.0211 -0.3598
+ 2635SOL    HW1 9477   1.056   2.705   3.151  0.7408  1.1049 -0.3218
+ 2635SOL    HW2 9478   1.128   2.757   3.028  1.3173  0.0611 -0.4345
+ 2636SOL     OW 9479   7.172   2.906   1.950  0.2473  0.4085  0.2832
+ 2636SOL    HW1 9480   7.247   2.857   1.917 -0.5171 -1.2206  0.8916
+ 2636SOL    HW2 9481   7.209   2.968   2.012  1.1195 -0.2786  0.4579
+ 2637SOL     OW 9482   1.389   3.514   0.369 -0.1132  0.2845 -0.4211
+ 2637SOL    HW1 9483   1.476   3.495   0.405  0.2673  2.7197  0.0543
+ 2637SOL    HW2 9484   1.370   3.604   0.398 -2.2243  0.2641 -1.6210
+ 2638SOL     OW 9485   1.820   4.200   4.180 -0.2450  0.1499  0.0206
+ 2638SOL    HW1 9486   1.825   4.228   4.272  0.7707  0.1385 -0.0257
+ 2638SOL    HW2 9487   1.730   4.169   4.170 -0.0838 -0.8049  1.2917
+ 2639SOL     OW 9488   2.661   4.520   5.350 -0.0012 -0.1148 -0.2861
+ 2639SOL    HW1 9489   2.658   4.570   5.432 -0.1790  1.1210 -1.0218
+ 2639SOL    HW2 9490   2.620   4.436   5.372 -0.0215  0.1867  0.8976
+ 2640SOL     OW 9491   2.104   4.767   5.334 -0.2010 -0.5258  0.0558
+ 2640SOL    HW1 9492   2.198   4.774   5.317  0.1962 -0.2758  2.2043
+ 2640SOL    HW2 9493   2.074   4.698   5.275  0.8864  0.9330 -2.2639
+ 2641SOL     OW 9494   7.883   3.331   3.600 -0.4278  0.3228 -0.0157
+ 2641SOL    HW1 9495   7.908   3.244   3.630  0.1168  0.5970  0.3214
+ 2641SOL    HW2 9496   7.958   3.363   3.550  0.2531  1.4623  1.6741
+ 2642SOL     OW 9497   2.725   4.141   6.831  0.0545 -0.3783  0.3643
+ 2642SOL    HW1 9498   2.663   4.209   6.858  0.0996 -0.4088  0.5413
+ 2642SOL    HW2 9499   2.702   4.123   6.740 -0.5944 -0.8155  0.6053
+ 2643SOL     OW 9500   2.316   5.769   6.704 -0.2411  0.5441  0.3545
+ 2643SOL    HW1 9501   2.285   5.859   6.718  0.9533  1.0745 -0.2943
+ 2643SOL    HW2 9502   2.246   5.728   6.654 -2.2759  0.1010  3.4671
+ 2644SOL     OW 9503   0.524   3.919   5.258 -0.1820 -0.0966 -0.1365
+ 2644SOL    HW1 9504   0.604   3.932   5.207  0.1629  1.8266  0.8638
+ 2644SOL    HW2 9505   0.549   3.943   5.347 -2.3817  2.3684 -0.1331
+ 2645SOL     OW 9506   1.027   4.136   3.824 -0.1211 -0.3252  0.0908
+ 2645SOL    HW1 9507   0.976   4.179   3.755  1.0487 -0.3100 -0.7840
+ 2645SOL    HW2 9508   1.005   4.185   3.904 -0.7443  0.2810 -0.4450
+ 2646SOL     OW 9509   7.520   3.222   5.064  0.1497 -0.1927  0.1254
+ 2646SOL    HW1 9510   7.467   3.144   5.047 -0.1187 -0.1710  0.8437
+ 2646SOL    HW2 9511   7.607   3.200   5.029 -0.6283  0.2369 -2.1789
+ 2647SOL     OW 9512   6.949   6.115   4.119 -0.4602  0.3658  1.0895
+ 2647SOL    HW1 9513   6.873   6.105   4.062  0.1758 -0.7208  0.4220
+ 2647SOL    HW2 9514   7.008   6.045   4.092  0.0218  0.1041  2.8110
+ 2648SOL     OW 9515   1.901   4.390   3.389  0.5108 -0.5171 -0.4595
+ 2648SOL    HW1 9516   1.855   4.313   3.420 -0.8181 -0.0310 -1.1842
+ 2648SOL    HW2 9517   1.988   4.358   3.364 -0.0191 -1.7680 -0.7148
+ 2649SOL     OW 9518   7.229   3.507   3.779 -0.4490  0.3940 -0.3684
+ 2649SOL    HW1 9519   7.165   3.577   3.792  0.2547  1.0468 -0.3477
+ 2649SOL    HW2 9520   7.289   3.516   3.852  1.0780  1.3653 -1.6915
+ 2650SOL     OW 9521   1.192   5.166   5.036  0.3510  0.2237  0.0664
+ 2650SOL    HW1 9522   1.112   5.189   5.083 -0.3242 -1.6451 -0.1399
+ 2650SOL    HW2 9523   1.166   5.098   4.974  1.5069  1.7085 -2.1000
+ 2651SOL     OW 9524   1.400   5.148   4.738 -0.1580  0.3688 -0.0002
+ 2651SOL    HW1 9525   1.457   5.176   4.810 -2.1334  1.5726  1.1419
+ 2651SOL    HW2 9526   1.398   5.053   4.745 -0.3819  0.4759  1.5889
+ 2652SOL     OW 9527   0.829   2.776   5.054 -0.0341  0.8162 -0.3019
+ 2652SOL    HW1 9528   0.736   2.756   5.065 -0.1490  0.6720 -1.4836
+ 2652SOL    HW2 9529   0.873   2.691   5.060 -0.0137  0.8359 -0.1609
+ 2653SOL     OW 9530   0.411   5.805   5.540 -0.0738 -0.3382  0.4023
+ 2653SOL    HW1 9531   0.354   5.836   5.611  0.8844  0.2655  0.9187
+ 2653SOL    HW2 9532   0.440   5.885   5.496  0.7693 -0.6097  0.4615
+ 2654SOL     OW 9533   2.393   6.145   5.531 -0.6602  0.0475 -0.3181
+ 2654SOL    HW1 9534   2.385   6.064   5.582 -0.9382  0.0348 -0.3834
+ 2654SOL    HW2 9535   2.480   6.179   5.555 -0.7248 -0.0376  0.0510
+ 2655SOL     OW 9536   1.181   4.250   5.451 -0.4596 -0.7520  0.2709
+ 2655SOL    HW1 9537   1.163   4.183   5.517  3.5255 -0.9699  1.2737
+ 2655SOL    HW2 9538   1.245   4.308   5.493  2.2143 -0.9215 -3.3744
+ 2656SOL     OW 9539   0.506   3.403   7.018  0.0577 -0.4440 -0.2710
+ 2656SOL    HW1 9540   0.533   3.372   7.105  1.0785  0.7255 -0.1582
+ 2656SOL    HW2 9541   0.543   3.339   6.957  0.2567 -0.6716  0.0882
+ 2657SOL     OW 9542   7.520   5.946   4.721  0.6950  0.0020  0.2356
+ 2657SOL    HW1 9543   7.611   5.974   4.723  1.1835 -1.3156 -1.8497
+ 2657SOL    HW2 9544   7.484   5.987   4.642  0.0025 -1.0429  0.0050
+ 2658SOL     OW 9545   0.672   4.151   4.898 -0.0619  0.1052 -0.5857
+ 2658SOL    HW1 9546   0.644   4.230   4.944 -2.1759 -1.8541  1.6668
+ 2658SOL    HW2 9547   0.590   4.113   4.865  0.6186 -2.3196  0.4043
+ 2659SOL     OW 9548   0.933   3.535   5.618 -0.6640 -0.3072  0.3256
+ 2659SOL    HW1 9549   0.861   3.578   5.572 -0.3681 -0.8219 -0.6348
+ 2659SOL    HW2 9550   0.937   3.447   5.580 -0.1319 -0.6042  1.0367
+ 2660SOL     OW 9551   0.772   2.809   3.426  0.2112 -0.3193 -0.3788
+ 2660SOL    HW1 9552   0.860   2.772   3.436  0.2563 -0.1279 -0.0662
+ 2660SOL    HW2 9553   0.742   2.825   3.516  0.1662  0.3541 -0.5112
+ 2661SOL     OW 9554   7.981   7.057   4.042 -0.0288  0.1052 -0.1696
+ 2661SOL    HW1 9555   7.930   7.115   4.098 -1.2047  0.0996 -1.1877
+ 2661SOL    HW2 9556   7.915   7.001   4.001  0.8850 -0.4496 -0.8907
+ 2662SOL     OW 9557   1.910   2.908   4.048  0.1285  0.2010 -0.3455
+ 2662SOL    HW1 9558   1.876   2.912   3.959  0.3522 -0.6900 -0.4803
+ 2662SOL    HW2 9559   1.835   2.930   4.104 -0.1020  0.4095 -0.7345
+ 2663SOL     OW 9560   0.604   6.428   5.719  0.2582  0.3994 -0.4539
+ 2663SOL    HW1 9561   0.546   6.478   5.662 -0.2061  0.3046 -0.0719
+ 2663SOL    HW2 9562   0.570   6.443   5.807  1.0029  0.5882 -0.1966
+ 2664SOL     OW 9563   7.323   1.063   3.709  0.1019 -0.4244 -0.1322
+ 2664SOL    HW1 9564   7.305   1.074   3.802  0.2170 -1.2566 -0.0024
+ 2664SOL    HW2 9565   7.254   1.112   3.664 -2.0015 -2.8059  0.3623
+ 2665SOL     OW 9566   0.809   4.845   5.422 -0.2649 -0.1157  0.1783
+ 2665SOL    HW1 9567   0.897   4.883   5.413 -0.8265  0.5463 -3.2674
+ 2665SOL    HW2 9568   0.806   4.776   5.356 -1.9235 -0.9726  1.1328
+ 2666SOL     OW 9569   1.641   4.431   3.739  0.1658 -0.0015 -0.4498
+ 2666SOL    HW1 9570   1.701   4.380   3.793  0.3952  0.8367  0.1065
+ 2666SOL    HW2 9571   1.555   4.416   3.779  0.2191 -0.0568 -0.3560
+ 2667SOL     OW 9572   0.694   5.817   5.858  0.1969 -0.2787  0.3701
+ 2667SOL    HW1 9573   0.669   5.746   5.799 -1.3430 -1.2286  2.1036
+ 2667SOL    HW2 9574   0.638   5.891   5.831 -2.6598 -1.5799  2.4572
+ 2668SOL     OW 9575   0.998   6.748   6.834 -0.3302  0.2799  0.3951
+ 2668SOL    HW1 9576   1.083   6.727   6.795 -1.4472  0.1417 -2.0973
+ 2668SOL    HW2 9577   0.941   6.676   6.807 -1.7431  1.4064  0.2807
+ 2669SOL     OW 9578   6.838   4.489   5.977 -0.2207 -0.1811 -0.4643
+ 2669SOL    HW1 9579   6.918   4.460   6.021 -0.1957  0.5255 -0.0246
+ 2669SOL    HW2 9580   6.779   4.513   6.049 -0.8810 -0.8425 -0.7835
+ 2670SOL     OW 9581   2.124   4.180   3.517  0.6319  0.0970  0.0520
+ 2670SOL    HW1 9582   2.071   4.239   3.570  0.8042 -0.1009  0.4505
+ 2670SOL    HW2 9583   2.139   4.227   3.435 -1.6106 -0.5439 -0.7546
+ 2671SOL     OW 9584   1.961   3.805   4.300 -0.3919  0.1064  0.1841
+ 2671SOL    HW1 9585   1.934   3.804   4.209  0.0884  1.0446  0.0234
+ 2671SOL    HW2 9586   1.985   3.896   4.317  1.4204 -0.4492  0.6778
+ 2672SOL     OW 9587   0.426   6.054   5.375  0.0063  0.3871 -0.4442
+ 2672SOL    HW1 9588   0.476   6.115   5.320  0.2508  0.2435 -0.3839
+ 2672SOL    HW2 9589   0.358   6.108   5.415 -1.9949 -0.0561 -3.1289
+ 2673SOL     OW 9590   7.705   4.342   4.555  0.1710  0.1644  0.5840
+ 2673SOL    HW1 9591   7.662   4.270   4.601  0.2980  0.7853  1.6844
+ 2673SOL    HW2 9592   7.787   4.305   4.523 -0.1237 -0.3906  0.4762
+ 2674SOL     OW 9593   7.484   2.958   5.145  0.2890 -0.0268  0.5776
+ 2674SOL    HW1 9594   7.577   2.939   5.139  0.5549  0.5904  2.3960
+ 2674SOL    HW2 9595   7.464   2.953   5.238 -1.4364  0.1474  0.2449
+ 2675SOL     OW 9596   7.589   6.226   6.272  0.0733  0.2185 -0.6460
+ 2675SOL    HW1 9597   7.565   6.312   6.237  0.2341  0.3593 -0.4148
+ 2675SOL    HW2 9598   7.562   6.229   6.364 -0.9476 -0.3903 -0.9279
+ 2676SOL     OW 9599   1.314   4.315   3.619  0.3068  0.2901 -0.0371
+ 2676SOL    HW1 9600   1.304   4.392   3.563  0.0048  0.7809  0.6821
+ 2676SOL    HW2 9601   1.363   4.252   3.566  0.6295  1.0103 -0.5938
+ 2677SOL     OW 9602   0.024   5.004   4.870 -0.6184  0.0783  0.0351
+ 2677SOL    HW1 9603   0.028   4.917   4.910  1.0434 -0.7816 -1.8470
+ 2677SOL    HW2 9604   0.010   5.064   4.942 -2.3196 -1.7984  1.3208
+ 2678SOL     OW 9605   0.105   6.282   4.357  0.6941 -0.4003 -0.5538
+ 2678SOL    HW1 9606   0.129   6.343   4.427  0.8755 -0.4409 -0.5790
+ 2678SOL    HW2 9607   0.100   6.336   4.278  1.1582 -0.4707 -0.6319
+ 2679SOL     OW 9608   7.068   3.345   6.911 -0.0913 -0.1748  0.3258
+ 2679SOL    HW1 9609   7.051   3.253   6.931 -0.2125 -0.4034 -0.7737
+ 2679SOL    HW2 9610   7.158   3.346   6.879  0.2108  0.2319  1.1745
+ 2680SOL     OW 9611   2.323   6.803   5.682  0.2655  0.0101  0.4526
+ 2680SOL    HW1 9612   2.361   6.797   5.770 -0.7815 -0.7409  0.8683
+ 2680SOL    HW2 9613   2.329   6.714   5.648 -0.0770  0.1303  0.0774
+ 2681SOL     OW 9614   2.418   4.699   6.034  0.4753 -0.8541  0.3228
+ 2681SOL    HW1 9615   2.375   4.636   6.091  1.1781 -0.4954  1.2557
+ 2681SOL    HW2 9616   2.402   4.784   6.076 -0.4051 -0.4071 -0.8864
+ 2682SOL     OW 9617   7.917   5.495   5.966  0.3545  0.2192 -0.2727
+ 2682SOL    HW1 9618   8.001   5.468   5.929  0.0384  0.7635 -1.4024
+ 2682SOL    HW2 9619   7.852   5.455   5.909 -0.1480  0.0096  0.4503
+ 2683SOL     OW 9620   1.572   5.006   4.517  0.0217 -0.1603 -0.0887
+ 2683SOL    HW1 9621   1.629   4.935   4.547 -1.6152 -1.6622 -0.4317
+ 2683SOL    HW2 9622   1.496   5.002   4.574 -0.3808  0.8956 -0.5399
+ 2684SOL     OW 9623   7.954   5.037   3.898 -0.2380  0.3537  0.5835
+ 2684SOL    HW1 9624   7.952   4.948   3.934  0.4089 -0.3825 -1.1330
+ 2684SOL    HW2 9625   7.975   5.093   3.973 -2.5839 -0.7027  2.1012
+ 2685SOL     OW 9626   2.214   4.830   4.615 -0.1065  0.6465  0.2725
+ 2685SOL    HW1 9627   2.230   4.755   4.558  0.8549 -0.6654  2.2120
+ 2685SOL    HW2 9628   2.290   4.887   4.602  0.7371 -0.2564  1.1522
+ 2686SOL     OW 9629   7.425   6.150   2.206  0.1815 -0.1057  0.1090
+ 2686SOL    HW1 9630   7.383   6.076   2.251 -1.8731  0.4612 -0.7953
+ 2686SOL    HW2 9631   7.467   6.110   2.130  0.8093 -0.6083  0.7111
+ 2687SOL     OW 9632   0.987   3.279   3.933 -0.2592 -0.4896  0.0035
+ 2687SOL    HW1 9633   0.921   3.210   3.929 -2.2826  1.3542  0.5198
+ 2687SOL    HW2 9634   0.988   3.317   3.845  0.2147 -0.6133 -0.0438
+ 2688SOL     OW 9635   0.139   5.750   3.158  0.2432 -0.4832  0.0117
+ 2688SOL    HW1 9636   0.161   5.835   3.199 -0.4558  0.2232 -1.0617
+ 2688SOL    HW2 9637   0.162   5.685   3.225  0.9684  0.5384  0.7804
+ 2689SOL     OW 9638   0.311   5.357   5.076  0.3589 -0.3570  0.3098
+ 2689SOL    HW1 9639   0.339   5.269   5.102 -1.0242 -0.6761  0.7822
+ 2689SOL    HW2 9640   0.216   5.352   5.073  0.3395  0.6526 -1.4182
+ 2690SOL     OW 9641   0.769   3.307   6.458 -0.0371  0.0109  0.4668
+ 2690SOL    HW1 9642   0.683   3.269   6.477  0.0769 -0.8487 -0.6973
+ 2690SOL    HW2 9643   0.805   3.251   6.389  0.1863  2.1823 -1.2072
+ 2691SOL     OW 9644   2.988   4.181   5.783  0.4996  0.1046 -0.2528
+ 2691SOL    HW1 9645   2.899   4.204   5.758  0.4256  0.3716  0.2344
+ 2691SOL    HW2 9646   3.007   4.237   5.859  0.4670 -1.1610  0.6970
+ 2692SOL     OW 9647   7.437   5.379   3.901 -0.1760  0.0746  0.0314
+ 2692SOL    HW1 9648   7.388   5.297   3.892 -0.7798  0.4312  0.1028
+ 2692SOL    HW2 9649   7.498   5.362   3.974 -0.6682 -0.1325  0.3962
+ 2693SOL     OW 9650   1.171   5.720   5.573 -0.8098  0.5822  0.0482
+ 2693SOL    HW1 9651   1.251   5.692   5.619  0.0899  3.1858  0.1472
+ 2693SOL    HW2 9652   1.112   5.748   5.643 -1.8716 -1.4056 -0.0211
+ 2694SOL     OW 9653   1.947   5.824   7.400 -0.0020 -0.4791 -0.0055
+ 2694SOL    HW1 9654   1.923   5.835   7.492 -0.8261 -0.2767 -0.2450
+ 2694SOL    HW2 9655   1.959   5.914   7.368 -0.1423 -0.5350 -0.2117
+ 2695SOL     OW 9656   0.196   3.917   3.144 -0.1895 -0.2618 -0.8951
+ 2695SOL    HW1 9657   0.191   3.827   3.111 -0.7321  0.1401 -1.9302
+ 2695SOL    HW2 9658   0.114   3.958   3.114  0.5340  0.8760 -1.3324
+ 2696SOL     OW 9659   0.220   5.827   5.031  0.0802 -0.2115  0.0689
+ 2696SOL    HW1 9660   0.134   5.786   5.023  0.9463 -2.0948  0.2366
+ 2696SOL    HW2 9661   0.222   5.863   5.120 -1.2256  1.5065 -0.5671
+ 2697SOL     OW 9662   0.792   4.793   4.667  0.0820  0.1333  0.5292
+ 2697SOL    HW1 9663   0.786   4.753   4.580  0.0240 -0.0224  0.6031
+ 2697SOL    HW2 9664   0.709   4.839   4.678  0.4710  0.9470  0.1191
+ 2698SOL     OW 9665   0.726   6.158   4.562  0.3153  0.1122 -0.2929
+ 2698SOL    HW1 9666   0.761   6.087   4.509  0.0194 -0.5170  0.3422
+ 2698SOL    HW2 9667   0.734   6.126   4.652 -0.5010  0.5855 -0.0545
+ 2699SOL     OW 9668   1.600   4.627   5.542  0.0329 -0.0223  0.4844
+ 2699SOL    HW1 9669   1.642   4.708   5.570  0.2602 -0.5067  1.5352
+ 2699SOL    HW2 9670   1.671   4.574   5.506  0.4853 -1.1716  3.0031
+ 2700SOL     OW 9671   1.326   5.457   4.220 -0.0037 -0.2721  0.6145
+ 2700SOL    HW1 9672   1.394   5.524   4.213  0.8647 -1.3890 -2.7992
+ 2700SOL    HW2 9673   1.358   5.397   4.287  0.7909  0.9637  1.3517
+ 2701SOL     OW 9674   7.856   7.038   4.568 -0.2489 -0.2877 -0.6877
+ 2701SOL    HW1 9675   7.815   7.110   4.519  0.9268  2.0276  1.6348
+ 2701SOL    HW2 9676   7.848   6.962   4.510 -5.0396  0.7610 -1.6195
+ 2702SOL     OW 9677   0.641   5.767   3.984 -0.4177 -0.0689  0.3513
+ 2702SOL    HW1 9678   0.660   5.710   3.910 -0.1639  0.6348 -0.1321
+ 2702SOL    HW2 9679   0.636   5.708   4.060 -1.0945 -0.8398 -0.2892
+ 2703SOL     OW 9680   1.974   4.530   4.770 -0.1009  0.1183 -0.0010
+ 2703SOL    HW1 9681   2.050   4.484   4.734  0.9511  2.2209 -0.5511
+ 2703SOL    HW2 9682   1.939   4.580   4.696 -1.9835 -0.7145  0.2726
+ 2704SOL     OW 9683   2.481   4.206   4.181 -0.1173  0.4366 -0.1096
+ 2704SOL    HW1 9684   2.470   4.128   4.127  1.3346 -1.2207  1.9026
+ 2704SOL    HW2 9685   2.515   4.272   4.121 -4.4036  0.5915 -2.5751
+ 2705SOL     OW 9686   7.670   4.066   5.951  0.0278 -0.1393 -0.3885
+ 2705SOL    HW1 9687   7.632   4.067   6.038 -0.2129 -3.2832 -0.4017
+ 2705SOL    HW2 9688   7.595   4.067   5.891  0.1567  0.4681 -0.5467
+ 2706SOL     OW 9689   2.231   4.464   4.991  0.8162 -0.7425  0.3636
+ 2706SOL    HW1 9690   2.199   4.375   4.977 -3.1717  0.3385  2.0625
+ 2706SOL    HW2 9691   2.288   4.457   5.068 -0.1486 -1.6882  1.0016
+ 2707SOL     OW 9692   1.562   6.528   5.897 -0.8486 -0.2125  0.2486
+ 2707SOL    HW1 9693   1.482   6.559   5.856 -0.9802  0.2308  0.8393
+ 2707SOL    HW2 9694   1.632   6.578   5.854 -0.7354 -1.7761 -1.4347
+ 2708SOL     OW 9695   7.110   6.148   2.376 -0.4844 -0.5335  0.8084
+ 2708SOL    HW1 9696   7.101   6.065   2.421 -1.2108 -0.8757  0.0387
+ 2708SOL    HW2 9697   7.106   6.126   2.283 -1.8746  0.4949  0.6102
+ 2709SOL     OW 9698   1.719   6.947   1.914 -0.0649  0.2634 -0.3152
+ 2709SOL    HW1 9699   1.674   6.988   1.988  0.3092 -0.0628  0.0950
+ 2709SOL    HW2 9700   1.811   6.972   1.924 -0.0903  0.6269 -0.9492
+ 2710SOL     OW 9701   7.463   6.033   3.084 -0.1420  0.2179 -0.1836
+ 2710SOL    HW1 9702   7.436   6.025   3.176  1.5065  0.6348  0.3618
+ 2710SOL    HW2 9703   7.424   6.116   3.055  0.1747  0.5946  0.4541
+ 2711SOL     OW 9704   2.165   3.459   5.897 -0.0813  0.1039 -0.3289
+ 2711SOL    HW1 9705   2.233   3.462   5.964 -0.8311  0.6396  0.4177
+ 2711SOL    HW2 9706   2.084   3.445   5.945 -0.4519 -1.0274 -1.2551
+ 2712SOL     OW 9707   1.257   7.167   3.355 -0.7522  0.3120 -0.2585
+ 2712SOL    HW1 9708   1.163   7.177   3.340 -0.5824  1.5261 -0.6009
+ 2712SOL    HW2 9709   1.296   7.175   3.268 -0.2379  1.1488  0.0416
+ 2713SOL     OW 9710   2.201   4.443   3.971  0.6078  0.3698  0.1037
+ 2713SOL    HW1 9711   2.171   4.386   4.042 -1.3915 -0.4242 -1.3234
+ 2713SOL    HW2 9712   2.175   4.531   3.998 -0.7001 -0.0036  0.0803
+ 2714SOL     OW 9713   5.805   5.166   1.908  0.9377  0.3668 -0.3239
+ 2714SOL    HW1 9714   5.836   5.103   1.843  2.0460 -0.0437  0.5708
+ 2714SOL    HW2 9715   5.715   5.139   1.927  0.8225  0.1093 -1.2260
+ 2715SOL     OW 9716   1.509   3.825   3.102 -0.4776  0.7729  0.2003
+ 2715SOL    HW1 9717   1.426   3.852   3.062 -1.1201  0.9336  1.5771
+ 2715SOL    HW2 9718   1.493   3.735   3.131 -0.0710  0.7008  0.1980
+ 2716SOL     OW 9719   7.865   4.531   3.365  0.4062  0.1651 -0.6773
+ 2716SOL    HW1 9720   7.872   4.626   3.363 -1.1224  0.2848 -1.2271
+ 2716SOL    HW2 9721   7.798   4.513   3.431 -1.5204 -0.3622 -2.7279
+ 2717SOL     OW 9722   1.611   5.157   5.717 -0.0508 -0.7670  0.2760
+ 2717SOL    HW1 9723   1.680   5.213   5.753  1.0706 -1.7864 -0.2469
+ 2717SOL    HW2 9724   1.628   5.156   5.623 -1.0863 -0.6148  0.0874
+ 2718SOL     OW 9725   0.579   4.137   6.537  0.5810 -0.0152 -0.2027
+ 2718SOL    HW1 9726   0.621   4.126   6.623  0.7907  1.3993 -0.1232
+ 2718SOL    HW2 9727   0.554   4.048   6.512 -0.6578 -0.2975  1.9270
+ 2719SOL     OW 9728   7.069   5.094   4.893 -0.1465  0.6739  0.2425
+ 2719SOL    HW1 9729   7.040   5.170   4.842  0.9033 -0.5148 -2.2073
+ 2719SOL    HW2 9730   7.156   5.119   4.924 -0.2889  0.9270  0.4450
+ 2720SOL     OW 9731   1.050   4.548   4.787  0.1708  0.1550  0.1189
+ 2720SOL    HW1 9732   1.003   4.520   4.708 -1.5076  0.0479  1.1418
+ 2720SOL    HW2 9733   1.102   4.472   4.812 -0.8359 -0.4982  0.2598
+ 2721SOL     OW 9734   1.673   2.887   3.541 -0.0532 -0.0665  0.0094
+ 2721SOL    HW1 9735   1.698   2.801   3.508 -0.1017 -0.7957  1.8208
+ 2721SOL    HW2 9736   1.594   2.910   3.492 -1.2486 -1.9937  0.9577
+ 2722SOL     OW 9737   0.575   5.690   3.171  0.3654 -0.9532 -0.0620
+ 2722SOL    HW1 9738   0.647   5.750   3.150  0.2250 -0.2225  1.5102
+ 2722SOL    HW2 9739   0.507   5.746   3.208 -0.1351 -1.9664  0.5603
+ 2723SOL     OW 9740   0.340   4.480   4.546 -0.0383 -0.2015  0.0620
+ 2723SOL    HW1 9741   0.325   4.573   4.562  0.4994  0.3090 -2.2472
+ 2723SOL    HW2 9742   0.302   4.436   4.622 -0.1831  1.9102  1.2276
+ 2724SOL     OW 9743   0.547   5.509   4.795  0.0940  0.6057  0.0526
+ 2724SOL    HW1 9744   0.630   5.461   4.788  0.4372  0.9117  1.8017
+ 2724SOL    HW2 9745   0.560   5.588   4.743  0.9872  0.7755  0.5390
+ 2725SOL     OW 9746   0.954   5.838   5.728  0.4812  0.6075  0.0688
+ 2725SOL    HW1 9747   0.860   5.843   5.711  0.1948 -1.5702  0.8775
+ 2725SOL    HW2 9748   0.961   5.838   5.823  1.4065  1.9609  0.0211
+ 2726SOL     OW 9749   1.012   5.852   6.003 -0.2618  0.0880 -0.4725
+ 2726SOL    HW1 9750   1.102   5.885   5.996  0.0566 -0.3604  1.2675
+ 2726SOL    HW2 9751   0.958   5.926   5.975  0.6944 -0.2224 -3.2837
+ 2727SOL     OW 9752   6.893   6.840   4.970 -0.6407  0.2550 -0.1744
+ 2727SOL    HW1 9753   6.975   6.802   5.003  0.6218  2.9107 -0.1007
+ 2727SOL    HW2 9754   6.875   6.791   4.890  0.2306 -1.3409  0.5738
+ 2728SOL     OW 9755   2.213   3.765   4.535  0.3855  0.1511 -0.4976
+ 2728SOL    HW1 9756   2.237   3.834   4.598 -0.3307  0.1468 -0.2200
+ 2728SOL    HW2 9757   2.140   3.802   4.486 -0.6449 -0.7776  0.3031
+ 2729SOL     OW 9758   1.475   4.708   4.877  0.8234  0.3120 -0.3412
+ 2729SOL    HW1 9759   1.524   4.762   4.940  0.4680  0.0408  0.1788
+ 2729SOL    HW2 9760   1.529   4.630   4.865  0.6022  0.0830  0.1128
+ 2730SOL     OW 9761   0.447   3.310   4.617 -0.1723  0.0475  0.0409
+ 2730SOL    HW1 9762   0.402   3.228   4.600  0.1691  0.0573 -0.9200
+ 2730SOL    HW2 9763   0.523   3.285   4.671  0.5390 -0.4262 -1.1504
+ 2731SOL     OW 9764   7.633   4.619   7.349 -0.1402  0.2672  0.2378
+ 2731SOL    HW1 9765   7.684   4.667   7.414  0.1100 -0.1806  0.3763
+ 2731SOL    HW2 9766   7.697   4.594   7.282 -0.2510  0.0410  0.2166
+ 2732SOL     OW 9767   2.415   3.763   5.455  0.5125  0.6263 -0.3925
+ 2732SOL    HW1 9768   2.406   3.742   5.548 -4.0421 -1.8445 -1.2324
+ 2732SOL    HW2 9769   2.424   3.678   5.412 -0.6119  1.4942 -2.4352
+ 2733SOL     OW 9770   0.078   6.371   5.773  0.2440 -0.1213 -0.1199
+ 2733SOL    HW1 9771   0.056   6.424   5.849 -1.5890 -0.3357 -0.4871
+ 2733SOL    HW2 9772   0.072   6.280   5.804  0.2741 -0.1911 -0.3156
+ 2734SOL     OW 9773   6.866   6.431   4.768  0.5159  0.5038 -0.0769
+ 2734SOL    HW1 9774   6.887   6.382   4.689  0.5398 -0.1477  0.3253
+ 2734SOL    HW2 9775   6.803   6.376   4.814  0.6824  0.7643  0.4678
+ 2735SOL     OW 9776   0.326   5.925   5.859  0.4801 -0.2357 -0.4716
+ 2735SOL    HW1 9777   0.340   5.914   5.953 -0.7530  0.1789 -0.2391
+ 2735SOL    HW2 9778   0.405   5.970   5.828  1.2716 -1.1364  0.2061
+ 2736SOL     OW 9779   0.696   2.238   3.442 -0.2416  0.3207  0.1995
+ 2736SOL    HW1 9780   0.678   2.325   3.476 -2.7228  0.4112 -1.2285
+ 2736SOL    HW2 9781   0.782   2.246   3.400  0.2913  1.6242  1.4993
+ 2737SOL     OW 9782   2.503   6.902   4.061 -0.1888 -0.8501  0.4076
+ 2737SOL    HW1 9783   2.490   6.987   4.104 -0.1521 -0.4316 -0.3950
+ 2737SOL    HW2 9784   2.430   6.848   4.091  0.6628 -1.0408  2.1571
+ 2738SOL     OW 9785   7.421   4.982   6.157  0.0360  0.3227 -0.5598
+ 2738SOL    HW1 9786   7.485   4.930   6.108  1.2776  0.9130  0.3793
+ 2738SOL    HW2 9787   7.368   5.025   6.090  0.2115 -0.6850 -1.3539
+ 2739SOL     OW 9788   7.333   5.536   3.690 -0.0965  0.1902 -0.0926
+ 2739SOL    HW1 9789   7.340   5.486   3.772  1.5123 -1.6053 -1.2741
+ 2739SOL    HW2 9790   7.413   5.587   3.686 -0.1913  0.3048 -0.5460
+ 2740SOL     OW 9791   0.491   6.715   6.151 -0.6796  0.1207 -0.1581
+ 2740SOL    HW1 9792   0.524   6.792   6.196 -1.0957  0.0950  0.1943
+ 2740SOL    HW2 9793   0.417   6.747   6.099 -0.0281  0.2073 -1.0555
+ 2741SOL     OW 9794   0.629   3.470   4.381 -0.3333 -0.1817  0.3713
+ 2741SOL    HW1 9795   0.650   3.378   4.392 -0.6744 -0.7580 -3.1391
+ 2741SOL    HW2 9796   0.558   3.472   4.317  0.9051  2.5706 -1.0378
+ 2742SOL     OW 9797   0.107   3.417   3.794 -0.0921 -1.0776  0.2810
+ 2742SOL    HW1 9798   0.025   3.420   3.746 -0.7525 -0.1441  1.4552
+ 2742SOL    HW2 9799   0.174   3.434   3.727 -1.0245  0.6402 -0.2513
+ 2743SOL     OW 9800   2.518   3.451   4.592 -0.0978 -0.7463 -0.2521
+ 2743SOL    HW1 9801   2.442   3.391   4.588 -0.0210 -0.7705 -1.4888
+ 2743SOL    HW2 9802   2.536   3.459   4.686 -2.2304  0.0145  0.1355
+ 2744SOL     OW 9803   7.888   4.249   5.886  0.3896 -0.2981 -0.3560
+ 2744SOL    HW1 9804   7.910   4.315   5.952 -2.5543 -0.7668  1.1534
+ 2744SOL    HW2 9805   7.829   4.189   5.930  1.1756 -2.6795 -2.4159
+ 2745SOL     OW 9806   0.451   5.809   4.894 -0.6078  0.3897 -0.2968
+ 2745SOL    HW1 9807   0.467   5.714   4.901 -0.2960  0.3570 -1.4369
+ 2745SOL    HW2 9808   0.366   5.821   4.937 -0.6746 -0.4099 -0.1826
+ 2746SOL     OW 9809   1.735   4.588   5.216  1.0367 -0.0922  0.0484
+ 2746SOL    HW1 9810   1.826   4.562   5.200  0.8486 -0.8709  0.1885
+ 2746SOL    HW2 9811   1.741   4.669   5.265  1.6465  1.0932 -1.9370
+ 2747SOL     OW 9812   0.716   4.302   5.360  0.2016 -0.1629  0.1365
+ 2747SOL    HW1 9813   0.798   4.351   5.350  1.7021 -2.4315  0.9200
+ 2747SOL    HW2 9814   0.660   4.336   5.290  1.8955  1.2426 -0.6084
+ 2748SOL     OW 9815   2.365   6.919   3.729  0.0925  0.8151  0.3364
+ 2748SOL    HW1 9816   2.435   6.859   3.757 -0.7384  0.3446  1.4222
+ 2748SOL    HW2 9817   2.293   6.901   3.789 -1.6040  0.0774 -1.8689
+ 2749SOL     OW 9818   0.964   5.689   4.486 -0.0368  0.1518  0.2404
+ 2749SOL    HW1 9819   0.997   5.606   4.520 -1.2448 -0.3314  0.2391
+ 2749SOL    HW2 9820   0.925   5.667   4.401 -0.8088  0.6212  0.4638
+ 2750SOL     OW 9821   2.367   3.567   3.316  0.7387 -0.7287  0.1252
+ 2750SOL    HW1 9822   2.451   3.540   3.279  0.1767 -0.2396 -1.5287
+ 2750SOL    HW2 9823   2.329   3.625   3.251 -2.2250 -3.2768 -0.5590
+ 2751SOL     OW 9824   0.753   3.401   4.724  0.3156 -0.7995 -0.7381
+ 2751SOL    HW1 9825   0.682   3.458   4.755  1.0245 -1.0589  1.4741
+ 2751SOL    HW2 9826   0.723   3.312   4.743  1.1790 -0.9123  0.1258
+ 2752SOL     OW 9827   1.874   3.766   4.005  0.8220 -0.1493  0.2135
+ 2752SOL    HW1 9828   1.903   3.726   3.923  0.4746 -1.4124  0.6979
+ 2752SOL    HW2 9829   1.783   3.792   3.988  1.3896  1.4540 -0.4574
+ 2753SOL     OW 9830   6.916   5.239   3.254  0.0399  0.0271  0.2159
+ 2753SOL    HW1 9831   6.894   5.209   3.343  0.1265 -0.8439 -0.0554
+ 2753SOL    HW2 9832   6.950   5.161   3.210 -2.8106 -0.3128 -1.5158
+ 2754SOL     OW 9833   1.458   5.876   3.632  0.0649 -0.1172 -0.0357
+ 2754SOL    HW1 9834   1.515   5.798   3.630 -0.2806 -0.3657 -0.3058
+ 2754SOL    HW2 9835   1.518   5.949   3.641  0.3108 -0.5271  2.1327
+ 2755SOL     OW 9836   0.150   5.263   4.832  0.0362  0.2055  0.4466
+ 2755SOL    HW1 9837   0.097   5.266   4.911 -1.3539 -0.0100 -0.4620
+ 2755SOL    HW2 9838   0.145   5.172   4.803  0.8872  0.1874  0.3234
+ 2756SOL     OW 9839   0.905   4.284   6.397 -0.4894  0.1588  0.8620
+ 2756SOL    HW1 9840   0.996   4.312   6.384 -0.3332 -0.3442  0.8605
+ 2756SOL    HW2 9841   0.912   4.197   6.435 -0.9776 -0.3124 -0.1097
+ 2757SOL     OW 9842   0.517   3.918   6.861  0.0159  0.3791 -0.2225
+ 2757SOL    HW1 9843   0.459   3.994   6.853 -0.2152  0.2767  0.4330
+ 2757SOL    HW2 9844   0.602   3.950   6.832  0.1664  1.2044  1.0474
+ 2758SOL     OW 9845   7.891   4.280   7.488 -0.0853 -0.2541 -0.5688
+ 2758SOL    HW1 9846   7.907   4.354   7.429  0.0817  0.1951  0.0328
+ 2758SOL    HW2 9847   7.931   4.307   7.571  0.5184 -1.2792 -0.5186
+ 2759SOL     OW 9848   1.599   6.026   6.450 -0.1316 -0.5366 -0.1697
+ 2759SOL    HW1 9849   1.664   5.985   6.393 -1.0022 -1.2019 -0.6934
+ 2759SOL    HW2 9850   1.603   5.976   6.531  0.1784 -0.4240 -0.1151
+ 2760SOL     OW 9851   1.059   5.707   6.681 -0.3809 -0.0223 -0.1807
+ 2760SOL    HW1 9852   1.100   5.677   6.762  0.7986 -0.4984 -0.9348
+ 2760SOL    HW2 9853   1.034   5.797   6.698  0.9800  0.2737  0.3021
+ 2761SOL     OW 9854   0.775   4.642   5.240  0.1856 -0.0946  0.2942
+ 2761SOL    HW1 9855   0.867   4.617   5.229  0.5235  1.1535  0.1331
+ 2761SOL    HW2 9856   0.733   4.619   5.158  0.9392  1.7286 -0.6360
+ 2762SOL     OW 9857   1.575   4.276   6.200  0.2324  0.7892  0.2547
+ 2762SOL    HW1 9858   1.555   4.324   6.281  1.7581 -1.3373  1.9648
+ 2762SOL    HW2 9859   1.528   4.193   6.210  0.9645  0.2437 -0.7428
+ 2763SOL     OW 9860   0.411   5.460   0.344  0.0519 -0.8371 -0.4535
+ 2763SOL    HW1 9861   0.441   5.380   0.387 -2.0670 -2.2054 -1.4163
+ 2763SOL    HW2 9862   0.448   5.455   0.255 -0.5405 -1.0500 -0.6934
+ 2764SOL     OW 9863   2.584   5.367   5.906  0.2972 -0.3041  0.3041
+ 2764SOL    HW1 9864   2.635   5.327   5.835 -0.1251 -0.4902  0.1032
+ 2764SOL    HW2 9865   2.529   5.296   5.939 -0.2710  0.0457  0.1173
+ 2765SOL     OW 9866   0.802   5.009   6.155 -0.0472 -0.1493 -0.3767
+ 2765SOL    HW1 9867   0.865   4.960   6.103 -0.7041 -0.0622 -1.2694
+ 2765SOL    HW2 9868   0.851   5.038   6.232  1.1939  0.5005 -1.3912
+ 2766SOL     OW 9869   1.328   5.232   6.093  0.1602 -0.3430  0.1510
+ 2766SOL    HW1 9870   1.334   5.272   6.180  0.4447  1.3001 -0.6113
+ 2766SOL    HW2 9871   1.307   5.304   6.034  0.0089 -1.4342 -1.1641
+ 2767SOL     OW 9872   0.110   5.368   1.219  0.0036 -0.1216  0.3032
+ 2767SOL    HW1 9873   0.179   5.330   1.164  1.6165  0.8835  1.5924
+ 2767SOL    HW2 9874   0.031   5.319   1.195  1.5273 -2.6561  0.2078
+ 2768SOL     OW 9875   1.002   3.036   5.884 -0.1020  0.3996  0.1773
+ 2768SOL    HW1 9876   1.055   3.090   5.942 -0.2186 -0.2202  0.8650
+ 2768SOL    HW2 9877   1.063   2.969   5.852 -0.6766 -0.8749  1.6980
+ 2769SOL     OW 9878   7.118   6.290   5.560  0.4934 -0.0636  0.0362
+ 2769SOL    HW1 9879   7.148   6.284   5.650  0.1341 -1.4852  0.0709
+ 2769SOL    HW2 9880   7.191   6.258   5.508  1.1901  1.9536 -0.2947
+ 2770SOL     OW 9881   7.700   4.030   5.326 -0.1700 -0.2275  0.2474
+ 2770SOL    HW1 9882   7.680   3.973   5.401 -2.0041 -0.6254 -0.5012
+ 2770SOL    HW2 9883   7.614   4.049   5.288  0.6194  1.2317 -0.8463
+ 2771SOL     OW 9884   0.287   5.676   7.217  0.3273  0.1792  0.0128
+ 2771SOL    HW1 9885   0.359   5.615   7.236  0.5336  0.1246 -0.9412
+ 2771SOL    HW2 9886   0.214   5.642   7.269  0.7221 -0.3020  0.2694
+ 2772SOL     OW 9887   0.124   5.183   4.521  0.0190  0.4002 -0.5158
+ 2772SOL    HW1 9888   0.059   5.181   4.451 -0.6328 -0.4334  0.1042
+ 2772SOL    HW2 9889   0.133   5.092   4.548  1.8862  0.4229 -0.9911
+ 2773SOL     OW 9890   0.201   6.179   5.481 -0.1412  0.4377  0.0898
+ 2773SOL    HW1 9891   0.163   6.121   5.547  0.4676 -1.4805 -1.1891
+ 2773SOL    HW2 9892   0.127   6.205   5.427  0.1657 -2.6540 -1.9226
+ 2774SOL     OW 9893   0.003   4.678   0.218  0.5125 -0.0110  0.0655
+ 2774SOL    HW1 9894   0.046   4.681   0.303  0.4146 -0.4163  0.1289
+ 2774SOL    HW2 9895  -0.086   4.647   0.237  1.0512 -1.9247 -0.4072
+ 2775SOL     OW 9896   0.603   5.507   5.806  0.3040  0.4118 -0.0164
+ 2775SOL    HW1 9897   0.662   5.499   5.881 -0.2111  1.6357  0.5305
+ 2775SOL    HW2 9898   0.570   5.418   5.792 -0.1549  0.2988  1.6734
+ 2776SOL     OW 9899   0.242   2.346   2.169 -1.0007  0.1699 -0.5927
+ 2776SOL    HW1 9900   0.261   2.260   2.131  0.7498 -0.0027  0.6200
+ 2776SOL    HW2 9901   0.195   2.327   2.250 -0.6679  0.3479 -0.3549
+ 2777SOL     OW 9902   7.857   4.885   6.182 -0.0885 -0.3063  0.0746
+ 2777SOL    HW1 9903   7.779   4.934   6.209 -1.3235 -1.4819 -1.2879
+ 2777SOL    HW2 9904   7.902   4.943   6.120  0.1826  0.3969  0.9083
+ 2778SOL     OW 9905   0.299   4.734   3.494 -0.7339 -0.2515  0.2440
+ 2778SOL    HW1 9906   0.370   4.789   3.528  0.6208 -2.1594  0.5897
+ 2778SOL    HW2 9907   0.235   4.730   3.565 -1.5181  1.9823 -0.2929
+ 2779SOL     OW 9908   7.082   4.107   6.131 -0.3023  0.6573 -0.2705
+ 2779SOL    HW1 9909   7.149   4.094   6.064 -0.8651 -0.6609 -0.6026
+ 2779SOL    HW2 9910   7.054   4.198   6.121  0.7121  0.9201 -0.7920
+ 2780SOL     OW 9911   0.471   6.428   5.967 -0.3578 -0.2426  0.0417
+ 2780SOL    HW1 9912   0.452   6.344   6.008 -0.2403 -0.4928 -0.4193
+ 2780SOL    HW2 9913   0.402   6.486   5.998 -0.5602 -0.5663  0.1916
+ 2781SOL     OW 9914   0.042   6.429   6.929 -0.1800  0.1856 -0.3286
+ 2781SOL    HW1 9915   0.053   6.523   6.915 -0.1885  0.1490 -0.5814
+ 2781SOL    HW2 9916  -0.049   6.420   6.957  0.2219  0.4051  1.0668
+ 2782SOL     OW 9917   0.247   4.077   7.961  0.1879 -0.0503 -0.0628
+ 2782SOL    HW1 9918   0.242   4.069   7.866  0.9499  2.2620 -0.3355
+ 2782SOL    HW2 9919   0.331   4.121   7.977 -0.1235 -0.0373  1.6469
+ 2783SOL     OW 9920   2.572   5.642   7.165  0.2454 -0.3907  0.0784
+ 2783SOL    HW1 9921   2.520   5.562   7.172  0.3011 -0.4224  0.1230
+ 2783SOL    HW2 9922   2.591   5.650   7.071 -2.5935  1.3597 -0.4337
+ 2784SOL     OW 9923   2.687   4.567   5.633 -0.2608  0.1509 -0.5049
+ 2784SOL    HW1 9924   2.746   4.640   5.652 -0.8004  0.5741 -0.4277
+ 2784SOL    HW2 9925   2.601   4.598   5.662 -0.4283 -0.6630 -0.1206
+ 2785SOL     OW 9926   7.721   5.934   7.187  0.5036  0.0983 -0.0519
+ 2785SOL    HW1 9927   7.691   6.007   7.133  1.2422  0.5769  0.1713
+ 2785SOL    HW2 9928   7.720   5.858   7.129  0.5101  0.4487 -0.5132
+ 2786SOL     OW 9929   2.871   4.784   5.679 -0.2041 -0.3627 -0.9793
+ 2786SOL    HW1 9930   2.916   4.793   5.595 -0.9376 -0.3897 -1.3776
+ 2786SOL    HW2 9931   2.840   4.872   5.700  0.3978 -0.2653 -0.5015
+ 2787SOL     OW 9932   6.646   5.485   7.138  0.3968 -0.4762 -0.0504
+ 2787SOL    HW1 9933   6.623   5.573   7.110 -1.6123 -0.8924  0.2280
+ 2787SOL    HW2 9934   6.658   5.436   7.057 -0.4038 -0.4182 -0.2114
+ 2788SOL     OW 9935   6.867   3.952   7.149  0.3638 -0.2018 -0.1150
+ 2788SOL    HW1 9936   6.861   3.885   7.081  0.2677 -1.2130  0.8767
+ 2788SOL    HW2 9937   6.803   4.018   7.123 -0.3107 -1.0103 -0.5197
+ 2789SOL     OW 9938   0.924   5.848   6.988 -0.3481 -0.1537  0.1118
+ 2789SOL    HW1 9939   0.854   5.846   7.054 -0.2747 -0.9151  0.1718
+ 2789SOL    HW2 9940   0.990   5.906   7.025 -0.5216 -0.2043  0.5022
+ 2790SOL     OW 9941   3.110   0.181   6.640  0.3393  0.0168 -0.1072
+ 2790SOL    HW1 9942   3.036   0.209   6.694 -0.8590  0.8214 -2.1130
+ 2790SOL    HW2 9943   3.186   0.190   6.697 -1.0139 -0.1988  1.7822
+ 2791SOL     OW 9944   1.224   5.494   6.102 -0.0260 -0.4042 -0.0838
+ 2791SOL    HW1 9945   1.266   5.574   6.070 -1.0497 -0.7325 -2.3553
+ 2791SOL    HW2 9946   1.137   5.521   6.128 -0.7939 -0.9375 -1.9706
+ 2792SOL     OW 9947   2.709   5.103   5.084 -0.5706 -0.1632 -0.3062
+ 2792SOL    HW1 9948   2.732   5.136   4.997 -0.1490 -1.5758 -0.7435
+ 2792SOL    HW2 9949   2.678   5.180   5.131 -2.6138  0.2944 -2.3191
+ 2793SOL     OW 9950   2.117   6.490   6.738 -0.2359  0.1678  0.3785
+ 2793SOL    HW1 9951   2.187   6.507   6.675 -1.3499  0.9918 -0.6702
+ 2793SOL    HW2 9952   2.161   6.485   6.822  1.4155 -1.8948 -0.5648
+ 2794SOL     OW 9953   0.527   5.360   0.095  0.3996  0.1195  0.0964
+ 2794SOL    HW1 9954   0.573   5.424   0.040 -1.3003 -0.4002 -1.9903
+ 2794SOL    HW2 9955   0.548   5.275   0.056  0.7566 -0.4298  1.4554
+ 2795SOL     OW 9956   1.317   6.248   6.787  0.0605 -0.0521 -0.4317
+ 2795SOL    HW1 9957   1.227   6.278   6.776  0.1680  1.0909  1.5507
+ 2795SOL    HW2 9958   1.344   6.222   6.699 -2.3419 -0.8419 -0.9733
+ 2796SOL     OW 9959   2.615   4.372   0.528 -0.2088  0.3203  0.0225
+ 2796SOL    HW1 9960   2.637   4.330   0.611  1.0343  0.1438 -0.3837
+ 2796SOL    HW2 9961   2.545   4.433   0.549 -1.9402 -1.8311  0.6660
+ 2797SOL     OW 9962   1.492   5.666   4.202  0.4728  0.1205  0.1287
+ 2797SOL    HW1 9963   1.572   5.670   4.255  0.8990  1.4962 -0.6032
+ 2797SOL    HW2 9964   1.523   5.675   4.112 -0.4716  0.1050 -0.1964
+ 2798SOL     OW 9965   0.484   5.272   5.747  0.3723 -0.1878  0.4572
+ 2798SOL    HW1 9966   0.450   5.202   5.691  1.7045  0.4522 -1.1868
+ 2798SOL    HW2 9967   0.407   5.307   5.791 -0.4272 -2.0940  0.6364
+ 2799SOL     OW 9968   0.677   5.158   7.056  0.5391 -0.4534  0.4689
+ 2799SOL    HW1 9969   0.683   5.251   7.038  1.5768 -0.4786  0.6700
+ 2799SOL    HW2 9970   0.649   5.118   6.973 -1.2145  0.1765  0.7364
+ 2800SOL     OW 9971   7.466   5.690   7.043  0.1850 -0.6065  0.0790
+ 2800SOL    HW1 9972   7.512   5.774   7.036 -0.3081 -0.4823 -1.9256
+ 2800SOL    HW2 9973   7.375   5.714   7.060  0.4967 -0.8181  2.2035
+ 2801SOL     OW 9974   0.488   4.612   6.710 -0.0593  0.5305 -0.0800
+ 2801SOL    HW1 9975   0.422   4.559   6.755  1.0089  1.6038  2.8318
+ 2801SOL    HW2 9976   0.437   4.677   6.662 -1.2096 -0.5491 -0.3653
+ 2802SOL     OW 9977   0.485   5.537   6.966  0.5418  0.4804 -0.3848
+ 2802SOL    HW1 9978   0.496   5.628   6.938  1.6946  0.4864  0.0295
+ 2802SOL    HW2 9979   0.575   5.502   6.967  0.2723 -0.1987  0.9730
+ 2803SOL     OW 9980   1.592   5.612   4.907  0.8981  0.1064 -0.3844
+ 2803SOL    HW1 9981   1.634   5.573   4.830  0.4486 -0.4702 -0.3389
+ 2803SOL    HW2 9982   1.511   5.562   4.918  0.5686  0.7138 -0.0148
+ 2804SOL     OW 9983   7.757   4.845   6.809  0.3218 -0.4153 -0.3822
+ 2804SOL    HW1 9984   7.841   4.807   6.837  1.2298  0.6588 -1.5525
+ 2804SOL    HW2 9985   7.702   4.841   6.886  1.2657 -1.6792  0.2529
+ 2805SOL     OW 9986   1.186   4.381   6.431  0.3096  0.1268 -0.1468
+ 2805SOL    HW1 9987   1.227   4.467   6.420 -0.0375  0.1835 -1.0344
+ 2805SOL    HW2 9988   1.174   4.373   6.526 -0.6037  1.5093 -0.1325
+ 2806SOL     OW 9989   2.571   4.941   5.776  0.1086  0.0109 -0.1331
+ 2806SOL    HW1 9990   2.534   4.857   5.803 -0.3304  0.6972  1.4702
+ 2806SOL    HW2 9991   2.495   4.995   5.758  0.2738  1.2663  2.6624
+ 2807SOL     OW 9992   0.069   4.353   7.290 -0.4699  0.2898 -0.3128
+ 2807SOL    HW1 9993   0.128   4.371   7.363 -0.0401 -0.0642 -0.5739
+ 2807SOL    HW2 9994   0.070   4.258   7.281 -0.3784  0.3454 -0.9033
+ 2808SOL     OW 9995   1.146   0.180   0.079 -0.0870  0.0968  0.8642
+ 2808SOL    HW1 9996   1.181   0.264   0.108 -1.0821  0.6013  0.6051
+ 2808SOL    HW2 9997   1.212   0.147   0.018  0.3078  0.6988  0.9590
+ 2809SOL     OW 9998   1.467   5.345   6.608  0.5542 -0.5860 -0.1533
+ 2809SOL    HW1 9999   1.390   5.400   6.625  0.0606 -1.7127  1.4167
+ 2809SOL    HW210000   1.432   5.263   6.575  1.1166 -0.8711 -0.0510
+ 2810SOL     OW10001   1.975   4.169   7.356  0.0254 -0.2216  0.3920
+ 2810SOL    HW110002   2.039   4.136   7.419  0.0702  1.9707  1.5726
+ 2810SOL    HW210003   1.899   4.191   7.409 -0.9183 -0.8206 -0.7060
+ 2811SOL     OW10004   1.291   4.369   7.198 -0.1476  0.4116 -0.1649
+ 2811SOL    HW110005   1.255   4.424   7.128  2.7692  1.1853 -1.1355
+ 2811SOL    HW210006   1.317   4.431   7.266  0.4630 -0.0252 -0.0019
+ 2812SOL     OW10007   6.539   6.237   4.633 -0.0725  0.2858 -0.0658
+ 2812SOL    HW110008   6.530   6.314   4.689  1.1956 -1.3619  2.4773
+ 2812SOL    HW210009   6.458   6.189   4.646  0.3583 -0.2599  0.6279
+ 2813SOL     OW10010   1.197   3.554   6.994  0.3261  0.4673  0.7865
+ 2813SOL    HW110011   1.112   3.590   6.970 -0.0751 -0.0699  1.3872
+ 2813SOL    HW210012   1.185   3.459   6.989  0.7470  0.3814  1.3591
+ 2814SOL     OW10013   1.384   6.374   5.392 -0.4655 -0.6862 -0.0020
+ 2814SOL    HW110014   1.471   6.407   5.417 -0.3936 -0.1746 -0.9375
+ 2814SOL    HW210015   1.325   6.448   5.407 -0.5423 -0.6248 -0.6092
+ 2815SOL     OW10016   1.326   6.574   7.364 -0.0071  0.4014 -0.2134
+ 2815SOL    HW110017   1.330   6.666   7.392 -1.2584  0.5224 -0.4062
+ 2815SOL    HW210018   1.345   6.577   7.271  0.2942  0.4233 -0.1527
+ 2816SOL     OW10019   2.216   3.363   6.347  1.0374 -0.0909 -0.0162
+ 2816SOL    HW110020   2.238   3.272   6.323 -2.6280 -1.0385 -0.0992
+ 2816SOL    HW210021   2.258   3.416   6.280 -1.0225 -2.1185 -3.0447
+ 2817SOL     OW10022   7.155   6.707   5.996 -0.2359 -0.1136 -0.4404
+ 2817SOL    HW110023   7.086   6.677   5.937  0.3361 -1.3883 -0.4804
+ 2817SOL    HW210024   7.210   6.629   6.010  0.0522  0.3701  1.1806
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+ 2818SOL    HW110026   1.842   5.717   7.309 -0.4292  0.1042  0.2839
+ 2818SOL    HW210027   1.765   5.674   7.186  0.1598 -3.1671  1.0090
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+ 2819SOL    HW210030   7.483   4.533   5.334  0.3929 -0.6408  2.0277
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+ 2820SOL    HW110032   1.535   4.585   0.813 -0.8613  0.7001  0.2247
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+ 2821SOL    HW110035   2.015   3.890   6.183 -0.1944  1.5773  0.5708
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+ 2822SOL    HW110038   1.678   2.112   6.264 -0.2579 -0.1227 -0.4865
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+ 2823SOL    HW110041   1.162   7.559   7.251 -1.0486  0.4030  0.6155
+ 2823SOL    HW210042   1.090   7.427   7.238 -0.6335  0.1297  1.0952
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+ 2824SOL    HW110044   3.649   5.037   6.802 -2.7720 -0.5290 -2.0779
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+ 2826SOL     OW10049   1.967   4.613   7.189  0.7347  0.4687 -0.0682
+ 2826SOL    HW110050   1.960   4.671   7.113 -1.2370  0.2695 -0.0636
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+ 2827SOL     OW10052   0.750   2.273   6.766  0.3868 -0.1373 -0.0826
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+ 2828SOL     OW10055   2.953   5.368   5.476  0.3680 -0.6488 -1.0139
+ 2828SOL    HW110056   3.028   5.313   5.499  0.6310 -0.1581 -0.6791
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+ 2829SOL    HW110059   1.811   4.909   5.975  2.0122 -1.0409 -2.0470
+ 2829SOL    HW210060   1.791   4.793   6.071  2.4418 -0.5103 -1.3146
+ 2830SOL     OW10061   1.248   3.972   4.313 -0.1292 -0.1231  0.3794
+ 2830SOL    HW110062   1.305   3.896   4.304  0.4519  0.2215  1.0309
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+ 2831SOL    HW110065   1.119   4.542   0.519  1.2165 -0.1273 -0.8481
+ 2831SOL    HW210066   1.111   4.393   0.544  0.9595  0.0545  0.2043
+ 2832SOL     OW10067   7.595   5.534   6.064  0.4014  0.0934  0.3937
+ 2832SOL    HW110068   7.644   5.500   5.989 -0.6262  1.4832 -0.9199
+ 2832SOL    HW210069   7.598   5.463   6.128  1.8659 -0.8497 -0.6893
+ 2833SOL     OW10070   1.811   6.145   6.240  0.1546 -0.1669  0.2445
+ 2833SOL    HW110071   1.850   6.188   6.316  2.2907  0.5437 -1.2024
+ 2833SOL    HW210072   1.764   6.214   6.195  0.4592 -0.1719 -0.0814
+ 2834SOL     OW10073   1.826   4.591   5.872  0.2613 -0.5477 -0.4892
+ 2834SOL    HW110074   1.792   4.678   5.891 -0.9616 -0.9584 -0.7344
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+ 2835SOL     OW10076   7.680   5.276   5.250  0.2825 -0.6767 -0.3301
+ 2835SOL    HW110077   7.759   5.229   5.224  1.2710  0.2094  0.9702
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+ 2836SOL    HW110080   6.577   5.851   6.248  0.0800 -0.8063  0.6626
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+ 2838SOL     OW10085   0.516   4.901   5.060  0.8054  0.2915  0.4333
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+ 2838SOL    HW210087   0.596   4.943   5.094  0.7772 -0.0260  0.9004
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+ 2840SOL     OW10091   0.243   4.128   6.420  0.3723  0.9070 -0.4774
+ 2840SOL    HW110092   0.148   4.141   6.423  0.0718 -1.3399  1.1368
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+ 2842SOL     OW10097   2.371   3.801   7.696  0.3814  0.3023 -0.0984
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+ 2842SOL    HW210099   2.399   3.890   7.678 -0.9614  1.4095  3.0334
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+12817SOL    HW140023   7.120   2.004   3.190  1.5154  0.2499 -0.4575
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+12821SOL    HW140035   5.396   1.977   4.742 -0.1595  0.0502 -2.9238
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+12822SOL    HW140038   7.364   2.241   4.625  1.6671 -0.3955 -2.0064
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+12824SOL    HW140044   5.906   2.593   7.520 -0.8830 -0.3147  0.3747
+12824SOL    HW240045   5.814   2.682   7.600  1.0472  2.6270 -0.5800
+12825SOL     OW40046   7.867   4.572   7.206  0.8223 -0.3708 -0.3071
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+12826SOL     OW40049   7.318   1.878   4.740 -0.5562  0.0656  0.0082
+12826SOL    HW140050   7.345   1.788   4.722 -0.3905  0.2408 -0.6462
+12826SOL    HW240051   7.352   1.928   4.666  0.1133  0.8099  0.8111
+12827SOL     OW40052   7.398   2.043   7.734  0.3942 -0.4478  0.4518
+12827SOL    HW140053   7.487   2.061   7.765  0.2289 -1.3772  1.4652
+12827SOL    HW240054   7.396   1.949   7.718 -0.4431 -0.4450  0.5189
+12828SOL     OW40055   7.144   2.427   5.871  0.7150 -0.4331 -0.5099
+12828SOL    HW140056   7.110   2.357   5.926  3.1093 -0.3419  1.1687
+12828SOL    HW240057   7.068   2.482   5.852 -0.2570 -0.7137  2.3734
+12829SOL     OW40058   6.408   3.807   7.321 -0.5527  0.0623 -0.5048
+12829SOL    HW140059   6.432   3.892   7.357  0.0290 -0.5183  0.5221
+12829SOL    HW240060   6.331   3.824   7.267  0.9656  1.6360 -2.2626
+12830SOL     OW40061   7.248   2.631   6.036 -0.1540  0.1582  0.0601
+12830SOL    HW140062   7.204   2.554   6.001  2.4208 -1.9890  1.3486
+12830SOL    HW240063   7.267   2.685   5.960  1.2197 -2.2263 -1.3725
+12831SOL     OW40064   6.413   3.076   0.324  1.0287 -0.1100  0.0354
+12831SOL    HW140065   6.464   3.146   0.284  1.7694 -1.2892 -1.1439
+12831SOL    HW240066   6.477   3.020   0.367  0.5304 -0.5191  0.2559
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+12836SOL    HW240081   5.359   1.796   4.983  0.3448 -0.9330 -0.4129
+12837SOL     OW40082   6.917   2.844   7.027  0.1906  0.4361  0.9599
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+12844SOL    HW240105   7.413   2.835   6.581  0.9864  0.7639 -1.9034
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+12848SOL     OW40115   7.655   3.043   4.661 -0.0504 -0.2294  0.1929
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+13456SOL     OW41939   6.250   4.796   2.441 -0.0211 -0.6883  0.7212
+13456SOL    HW141940   6.338   4.808   2.407  0.2332  0.2062  1.6748
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+13458SOL    HW141946   4.907   7.036   3.053 -0.0341 -0.1591 -0.0238
+13458SOL    HW241947   4.919   7.184   3.084  0.4472 -0.4481  1.1961
+13459SOL     OW41948   4.680   6.468   3.019  0.3878 -0.0532  0.2157
+13459SOL    HW141949   4.736   6.414   3.075  1.1072 -0.6362 -1.0365
+13459SOL    HW241950   4.737   6.495   2.947 -0.2903  1.3994  0.2053
+13460SOL     OW41951   7.163   5.977   2.944 -0.4415  0.2097  0.3192
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+13461SOL    HW141955   1.293   4.356   2.925  1.6781 -2.2025  0.7141
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+13462SOL     OW41957   5.246   3.300   2.677  0.4678 -0.1253  0.0542
+13462SOL    HW141958   5.294   3.234   2.726 -0.7726 -1.7551 -0.8475
+13462SOL    HW241959   5.285   3.383   2.702  2.2475 -1.2332  1.0113
+13463SOL     OW41960   6.910   5.298   7.436 -0.2313 -0.1718 -0.0335
+13463SOL    HW141961   6.888   5.390   7.448  2.6503  0.5386  0.2138
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+13469SOL     OW41978   6.162   3.887   3.655 -0.5573 -0.1006 -0.3832
+13469SOL    HW141979   6.114   3.814   3.693 -1.8528  1.1434  0.4329
+13469SOL    HW241980   6.097   3.956   3.646  0.4044  0.6017 -2.1533
+13470SOL     OW41981   4.667   3.567   2.369 -0.1291 -0.0953 -0.3585
+13470SOL    HW141982   4.689   3.652   2.332 -2.0645  1.4789  1.9253
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+13471SOL     OW41984   5.403   6.769   2.121 -0.1437 -0.2347  0.2014
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+13471SOL    HW241986   5.484   6.786   2.170  0.2075  0.3321 -0.5668
+13472SOL     OW41987   0.145   4.829   1.149 -0.3785 -0.4084  0.0655
+13472SOL    HW141988   0.053   4.816   1.128 -0.2088  0.9557 -1.5936
+13472SOL    HW241989   0.192   4.769   1.093 -0.2396 -1.0529  0.8610
+13473SOL     OW41990   6.683   6.113   1.584  0.0088 -0.0040  0.1752
+13473SOL    HW141991   6.709   6.022   1.601  0.0665 -0.1642 -0.7097
+13473SOL    HW241992   6.589   6.115   1.602 -0.0550 -0.3203 -0.1060
+13474SOL     OW41993   7.351   5.935   1.274  0.0741  0.0416 -0.0355
+13474SOL    HW141994   7.442   5.954   1.297  0.4297  0.6920 -1.8655
+13474SOL    HW241995   7.312   6.022   1.260 -0.2816 -0.2925 -1.1905
+13475SOL     OW41996   5.648   3.960   3.272 -0.0747 -0.2332  0.2709
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+13475SOL    HW241998   5.679   3.957   3.181  0.0336 -0.1662  0.3061
+13476SOL     OW41999   6.093   3.967   2.512 -0.1523 -0.0429 -0.1294
+13476SOL    HW142000   6.164   3.960   2.448  0.0128 -1.4011  0.1988
+13476SOL    HW242001   6.031   4.029   2.472  0.4766 -0.0265 -1.0974
+13477SOL     OW42002   7.169   4.169   1.705 -0.0177 -0.0995 -0.2001
+13477SOL    HW142003   7.170   4.214   1.621  1.1482 -0.5695 -0.4404
+13477SOL    HW242004   7.183   4.077   1.683  0.2573 -0.2272  0.4968
+13478SOL     OW42005   6.541   5.272   1.488  0.2842 -0.4472  0.0045
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+13478SOL    HW242007   6.584   5.290   1.404 -2.5117 -0.9937 -1.5984
+13479SOL     OW42008   6.943   3.741   1.344  0.0748  0.1041 -0.4907
+13479SOL    HW142009   6.896   3.669   1.304 -0.8480  0.1385  0.5105
+13479SOL    HW242010   6.948   3.718   1.437  0.3388  1.0153 -0.2679
+13480SOL     OW42011   6.193   4.002   2.241  0.4027  0.0821 -0.1795
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+13481SOL    HW142015   0.342   6.508   1.298 -1.3411 -3.8053 -1.5449
+13481SOL    HW242016   0.231   6.504   1.401 -0.1457  0.6775  0.0485
+13482SOL     OW42017   6.635   3.387   3.889  0.3836 -0.2625  0.0470
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+13482SOL    HW242019   6.702   3.415   3.827  0.5862 -0.9364 -0.0353
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+16424CL      CL50739   1.868   5.023   1.979  0.1159  0.3384 -0.0593
+16425CL      CL50740   7.186   3.718   5.870  0.4005  0.1806  0.2349
+16426CL      CL50741   1.592   5.636   5.441  0.2691 -0.2347  0.0753
+16427CL      CL50742   0.700   5.722   7.643 -0.2380  0.3359 -0.0155
+16428CL      CL50743   1.508   4.882   7.801 -0.2798  0.1050 -0.3961
+16429CL      CL50744   1.222   7.381   0.843 -0.2044  0.1856  0.4066
+16430CL      CL50745   7.534   0.293   0.187  0.0967  0.1829  0.2029
+16431CL      CL50746   3.124   1.084   4.193  0.3768 -0.5121  0.4208
+16432CL      CL50747   5.045   0.482   6.064  0.4607 -0.1032  0.1817
+16433CL      CL50748   1.495   0.775   4.928  0.0125 -0.4523 -0.1621
+16434CL      CL50749   4.068   0.663   7.957 -0.2489 -0.0196 -0.0820
+16435CL      CL50750   2.345   1.994   2.559  0.1492 -0.1726 -0.2875
+16436CL      CL50751   3.169   2.933   2.053 -0.5895  0.0500 -0.0401
+16437CL      CL50752   1.722   4.558   0.496 -0.1923  0.1463 -0.0153
+16438CL      CL50753   2.017   5.221   3.279  0.0388 -0.6781 -0.2167
+16439CL      CL50754   4.702   5.065   6.452 -0.3262 -0.0044 -0.1433
+16440CL      CL50755   2.077   6.637   2.510 -0.8245 -0.2242 -0.0505
+16441CL      CL50756   1.201   7.733   6.846 -0.4189 -0.1835  0.1248
+16442CL      CL50757   3.280   7.502   0.618  0.3574  0.2278  0.2653
+16443CL      CL50758   4.527   0.829   1.606  0.0035 -0.2272 -0.0640
+16444CL      CL50759   5.517   0.032   1.206 -0.0465 -0.0567  0.1187
+16445CL      CL50760   2.432   1.368   2.827 -0.3646 -0.0994 -0.1888
+16446CL      CL50761   2.971   3.268   6.875  0.4760 -0.1540  0.1177
+16447CL      CL50762   5.573   2.765   3.145  0.4417 -0.2589  0.0021
+16448CL      CL50763   4.685   1.921   5.977 -0.3497  0.2584  0.0456
+16449CL      CL50764   5.985   3.990   1.585 -0.4216 -0.1084 -0.1109
+16450CL      CL50765   6.670   5.082   0.964 -0.0257  0.2869 -0.2480
+16451CL      CL50766   6.226   4.852   5.907 -0.1493 -0.3660  0.0986
+16452CL      CL50767   6.360   6.325   2.624  0.1839  0.4210 -0.0626
+16453CL      CL50768   3.236   6.453   5.667 -0.5573 -0.0400  0.0101
+16454CL      CL50769   6.864   1.838   0.602  0.0015  0.0317 -0.0555
+16455CL      CL50770   7.346   2.469   3.951  0.0365  0.1923 -0.0443
+16456CL      CL50771   6.733   0.090   6.623  0.4606 -0.1434 -0.4182
+16457CL      CL50772   7.768   3.087   1.108  0.2098  0.9196  0.4573
+16458CL      CL50773   6.395   3.105   3.785 -0.0489 -0.1150 -0.0128
+16459CL      CL50774   6.383   2.476   2.491  0.1076  0.0378  0.0565
+16460CL      CL50775   5.502   2.663   4.236 -0.2126 -0.2427  0.3519
+16461CL      CL50776   0.605   3.312   7.310 -0.0981 -0.0835 -0.0385
+16462CL      CL50777   6.416   5.417   6.036  0.2699 -0.3571  0.2148
+16463CL      CL50778   7.410   5.966   3.400 -0.0440 -0.2797  0.1327
+16464CL      CL50779   7.229   5.706   4.406  0.2675  0.0107  0.0016
+16465CL      CL50780   6.491   4.085   7.448 -0.0519 -0.1964 -0.0601
+16466CL      CL50781   6.420   6.804   7.657 -0.0989  0.1539  0.1899
+16467CL      CL50782   6.017   7.463   4.497  0.0716  0.2405  0.1529
+16468CL      CL50783   0.531   2.062   1.877 -0.4494 -0.0130  0.2812
+16469CL      CL50784   0.633   1.759   7.225 -0.3776 -0.0585 -0.1578
+16470CL      CL50785   7.843   5.396   0.850 -0.2022  0.2258 -0.0229
+16471CL      CL50786   7.951   5.283   5.073  0.3681  0.1177  0.0926
+   7.99023   7.99023   7.99023
diff --git a/gromacs-demos/vacf/test-start.gro b/gromacs-demos/vacf/test-start.gro
new file mode 100644
index 0000000..82630c5
--- /dev/null
+++ b/gromacs-demos/vacf/test-start.gro
@@ -0,0 +1,30426 @@
+Title
+30423
+    1LYS      N    1   3.482   4.852   2.973  0.9582  0.5181 -0.3755
+    1LYS    HT1    2   3.456   4.941   3.021  1.1816  0.4604 -0.1509
+    1LYS    HT2    3   3.426   4.776   3.017  2.9726 -1.1427 -0.6372
+    1LYS    HT3    4   3.456   4.850   2.872 -0.9171 -0.7747  0.1086
+    1LYS     CA    5   3.626   4.834   2.998 -0.1482  0.1746  0.4236
+    1LYS     HA    6   3.672   4.917   2.946 -2.5405  2.1782  1.4048
+    1LYS     CB    7   3.663   4.842   3.153  0.4579 -0.0613 -0.5213
+    1LYS    HB1    8   3.584   4.796   3.216  0.3213  1.5057  0.4715
+    1LYS    HB2    9   3.659   4.951   3.174 -0.4105  0.0206 -1.0902
+    1LYS     CG   10   3.791   4.772   3.191 -0.1238 -0.4007 -0.2249
+    1LYS    HG1   11   3.799   4.666   3.158  0.9362 -0.0123 -1.2659
+    1LYS    HG2   12   3.798   4.754   3.300 -0.9620  0.8018  0.0361
+    1LYS     CD   13   3.912   4.849   3.146 -0.7569 -0.5202 -0.3185
+    1LYS    HD1   14   3.901   4.949   3.194  1.0289 -0.8596  0.8368
+    1LYS    HD2   15   3.920   4.866   3.036 -2.0683  3.0525  0.0645
+    1LYS     CE   16   4.047   4.797   3.194 -0.0747 -0.8370 -0.4167
+    1LYS    HE1   17   4.085   4.699   3.158  3.5807  0.3787  0.0129
+    1LYS    HE2   18   4.027   4.787   3.303 -0.3312 -2.4601 -0.5900
+    1LYS     NZ   19   4.155   4.895   3.180  0.0801 -0.6892 -0.2119
+    1LYS    HZ1   20   4.181   4.908   3.080  0.7490  0.5093  0.0985
+    1LYS    HZ2   21   4.240   4.860   3.229 -0.5658 -2.0551 -0.0563
+    1LYS    HZ3   22   4.129   4.991   3.210 -2.2181 -1.2479 -0.3410
+    1LYS      C   23   3.676   4.707   2.935 -0.9214 -0.1536 -0.5669
+    1LYS      O   24   3.624   4.597   2.959  0.4284  0.1115  0.0917
+    2VAL      N   25   3.780   4.722   2.859 -0.9802  0.1293 -0.3361
+    2VAL     HN   26   3.809   4.812   2.827 -0.9378 -0.0893 -0.9256
+    2VAL     CA   27   3.856   4.606   2.803  0.5559 -0.3528 -0.0811
+    2VAL     HA   28   3.796   4.517   2.813  0.6765 -0.3605  0.5881
+    2VAL     CB   29   3.882   4.625   2.653 -0.8521 -0.0971  0.7111
+    2VAL     HB   30   3.927   4.726   2.652  0.3515 -0.6319 -0.3838
+    2VAL    CG1   31   3.964   4.512   2.592 -0.1136 -0.7167 -0.9599
+    2VAL   HG11   32   3.991   4.542   2.488  0.3170  0.1726 -0.6017
+    2VAL   HG12   33   3.898   4.423   2.585 -0.1984 -0.6986 -0.4347
+    2VAL   HG13   34   4.055   4.491   2.653  0.3675  0.6341 -1.1835
+    2VAL    CG2   35   3.744   4.623   2.576 -0.6241  0.5183 -1.0695
+    2VAL   HG21   36   3.696   4.524   2.591  0.7622  0.0122  0.1906
+    2VAL   HG22   37   3.768   4.637   2.468 -3.2170  0.7953 -1.6390
+    2VAL   HG23   38   3.676   4.706   2.606  0.1398  0.8151 -0.1457
+    2VAL      C   39   3.985   4.594   2.879  0.4479  0.0501 -0.1959
+    2VAL      O   40   4.062   4.691   2.886 -0.2790  0.1090  0.2344
+    3PHE      N   41   4.010   4.475   2.938  0.2147  0.4912  0.2997
+    3PHE     HN   42   3.943   4.402   2.931  1.0676 -0.5472  2.3648
+    3PHE     CA   43   4.140   4.449   3.004 -0.2057  0.6151  0.2080
+    3PHE     HA   44   4.177   4.539   3.050  0.7699  0.9495 -1.1863
+    3PHE     CB   45   4.137   4.330   3.109  0.3142  0.1944 -0.5580
+    3PHE    HB1   46   4.236   4.304   3.153  1.1569  0.7106 -2.1025
+    3PHE    HB2   47   4.079   4.242   3.077  1.8150 -0.9702 -0.1311
+    3PHE     CG   48   4.072   4.380   3.229 -0.1353  0.5524 -0.5214
+    3PHE    CD1   49   3.929   4.381   3.245 -0.0080 -0.0097 -0.2960
+    3PHE    HD1   50   3.868   4.361   3.158 -0.5131 -0.3870  0.1443
+    3PHE    CE1   51   3.862   4.423   3.362  0.0392 -0.3970 -0.6036
+    3PHE    HE1   52   3.755   4.439   3.361  0.0892  1.1760  3.9915
+    3PHE     CZ   53   3.941   4.468   3.467 -0.4141  0.0161 -0.1644
+    3PHE     HZ   54   3.893   4.504   3.557  0.7063  0.0378  0.4405
+    3PHE    CD2   55   4.143   4.419   3.337 -0.0290 -0.2329 -0.5850
+    3PHE    HD2   56   4.250   4.428   3.335 -0.0761  0.4739  0.1486
+    3PHE    CE2   57   4.076   4.468   3.456 -0.1168  0.0964  0.2004
+    3PHE    HE2   58   4.143   4.494   3.537 -2.9792  1.8710  2.0748
+    3PHE      C   59   4.250   4.422   2.909  0.7301 -0.1983  0.2645
+    3PHE      O   60   4.233   4.364   2.799  0.1558 -0.8810 -0.3801
+    4GLY      N   61   4.374   4.461   2.944  0.0600 -0.7390 -1.0233
+    4GLY     HN   62   4.385   4.520   3.023  0.2250  0.2426 -1.7652
+    4GLY     CA   63   4.485   4.396   2.886 -0.3743 -0.4117  0.3341
+    4GLY    HA1   64   4.572   4.459   2.893  1.1026 -1.9384 -3.0183
+    4GLY    HA2   65   4.462   4.367   2.784  0.8885 -2.3632  0.5722
+    4GLY      C   66   4.517   4.263   2.950  0.7141 -0.2091  0.2804
+    4GLY      O   67   4.459   4.226   3.047 -0.1900  0.3814 -0.8914
+    5ARG      N   68   4.605   4.188   2.887  0.5861  0.8409 -0.7889
+    5ARG     HN   69   4.637   4.214   2.797 -1.4342  0.2841 -1.7080
+    5ARG     CA   70   4.630   4.055   2.937 -0.5739 -0.3395 -0.7719
+    5ARG     HA   71   4.539   3.997   2.933 -1.2752  0.3668  2.9389
+    5ARG     CB   72   4.728   3.983   2.835  0.3808  0.9133 -0.4350
+    5ARG    HB1   73   4.819   4.046   2.835 -0.1494  1.6925  0.8980
+    5ARG    HB2   74   4.681   3.999   2.735 -2.7244  0.3817  0.8870
+    5ARG     CG   75   4.756   3.840   2.877 -0.2339  0.0407  0.0043
+    5ARG    HG1   76   4.663   3.779   2.871  1.1068 -2.0519 -0.1068
+    5ARG    HG2   77   4.814   3.824   2.971 -1.0603  1.1200  0.7071
+    5ARG     CD   78   4.845   3.774   2.772  0.5174 -0.5404 -0.0527
+    5ARG    HD1   79   4.811   3.794   2.668  1.2251  2.1454  0.1919
+    5ARG    HD2   80   4.841   3.664   2.789 -0.1551 -0.2280  1.9638
+    5ARG     NE   81   4.986   3.820   2.770  0.4300 -0.0222 -0.1582
+    5ARG     HE   82   5.007   3.918   2.771 -0.3527  0.1457 -0.4366
+    5ARG     CZ   83   5.089   3.756   2.822 -0.3072 -0.2645 -0.0752
+    5ARG    NH1   84   5.093   3.623   2.824 -0.2311  0.3784  0.6943
+    5ARG   HH11   85   5.167   3.579   2.876  1.4962 -0.0977 -2.0746
+    5ARG   HH12   86   5.027   3.572   2.769  0.2141  0.9837 -0.4160
+    5ARG    NH2   87   5.194   3.827   2.867 -0.4208 -0.1418  0.0347
+    5ARG   HH21   88   5.190   3.924   2.845 -0.7541 -0.6069 -2.0723
+    5ARG   HH22   89   5.269   3.781   2.916  0.5144 -0.3293 -1.5263
+    5ARG      C   90   4.690   4.048   3.075  0.4760  0.1161 -0.2252
+    5ARG      O   91   4.644   3.976   3.165 -0.2133 -0.3188  0.0976
+    6CYS      N   92   4.794   4.130   3.088 -0.0762  0.4070 -0.4046
+    6CYS     HN   93   4.809   4.199   3.018  2.0633 -0.8861 -1.2762
+    6CYS     CA   94   4.879   4.138   3.214  0.0259 -0.0997 -0.1779
+    6CYS     HA   95   4.900   4.044   3.263 -0.0379  0.7432  1.5008
+    6CYS     CB   96   5.014   4.209   3.190  0.6980 -0.5259  0.6605
+    6CYS    HB1   97   5.058   4.237   3.288  1.5410 -2.7783  0.9640
+    6CYS    HB2   98   4.996   4.301   3.130  2.0892 -0.4560  0.3217
+    6CYS     SG   99   5.141   4.101   3.114 -0.1109 -0.2711  0.0933
+    6CYS      C  100   4.803   4.210   3.319  0.1208 -0.1686  0.8678
+    6CYS      O  101   4.803   4.168   3.438  0.3086  0.1640  0.6663
+    7GLU      N  102   4.724   4.314   3.277  1.2693 -0.0374 -0.0554
+    7GLU     HN  103   4.721   4.338   3.180  0.9306  1.2425  0.2606
+    7GLU     CA  104   4.642   4.399   3.358  0.3016 -0.0628  0.3931
+    7GLU     HA  105   4.704   4.429   3.441  1.4181  0.1252 -0.4888
+    7GLU     CB  106   4.585   4.515   3.267  0.4214  0.2307  0.3157
+    7GLU    HB1  107   4.542   4.455   3.184  0.7478  1.8973 -1.0777
+    7GLU    HB2  108   4.674   4.572   3.234 -0.0853  0.0538 -1.4350
+    7GLU     CG  109   4.499   4.608   3.352  0.4699 -0.6278 -0.4607
+    7GLU    HG1  110   4.555   4.662   3.430 -1.2691 -1.7155  1.5915
+    7GLU    HG2  111   4.414   4.559   3.405  0.5516 -1.0344 -0.6986
+    7GLU     CD  112   4.422   4.708   3.269 -0.2602  0.1017  0.2310
+    7GLU    OE1  113   4.373   4.664   3.160  0.0040 -0.4880 -0.1493
+    7GLU    OE2  114   4.409   4.823   3.318  0.6991 -0.0780  0.2877
+    7GLU      C  115   4.529   4.320   3.426  0.3167  0.1753  0.5142
+    7GLU      O  116   4.515   4.328   3.548 -0.3624  0.4406  0.1238
+    8LEU      N  117   4.466   4.229   3.353 -0.0001  0.0319 -0.0135
+    8LEU     HN  118   4.477   4.224   3.254  0.7404 -0.9795  0.1029
+    8LEU     CA  119   4.375   4.124   3.411 -0.4373  0.0224 -0.8627
+    8LEU     HA  120   4.290   4.176   3.452 -0.7526 -2.5296  1.9147
+    8LEU     CB  121   4.303   4.035   3.303  0.0176  0.5591 -0.0427
+    8LEU    HB1  122   4.379   3.981   3.243  0.1721 -0.8201  1.3615
+    8LEU    HB2  123   4.247   4.103   3.234 -1.8921 -0.6914  0.2164
+    8LEU     CG  124   4.199   3.928   3.359 -0.2280 -0.2129 -0.3917
+    8LEU     HG  125   4.251   3.861   3.431 -1.5510 -0.2355  0.5521
+    8LEU    CD1  126   4.080   4.002   3.418 -0.2495 -0.2089 -0.6542
+    8LEU   HD11  127   4.024   4.065   3.346  1.2500 -0.1640 -1.8072
+    8LEU   HD12  128   4.099   4.063   3.509 -0.7790 -1.8822  0.5969
+    8LEU   HD13  129   4.008   3.924   3.450  0.3504 -0.4569  0.0886
+    8LEU    CD2  130   4.158   3.837   3.244  0.4461 -0.4954 -0.4254
+    8LEU   HD21  131   4.127   3.896   3.155  0.9773 -1.0772 -0.9966
+    8LEU   HD22  132   4.077   3.768   3.277  0.7016 -0.6732 -0.1687
+    8LEU   HD23  133   4.246   3.777   3.212  0.5643 -0.4030 -0.2724
+    8LEU      C  134   4.441   4.033   3.510 -0.4922  0.1629 -0.1606
+    8LEU      O  135   4.383   3.996   3.609  0.2665  0.6767  0.8200
+    9ALA      N  136   4.564   3.980   3.476  0.0616  0.1293 -0.6620
+    9ALA     HN  137   4.617   4.001   3.394  0.1172  1.3446 -0.3220
+    9ALA     CA  138   4.627   3.874   3.556  0.1161  0.7844 -0.0926
+    9ALA     HA  139   4.562   3.787   3.554  0.4853  0.4555  1.3956
+    9ALA     CB  140   4.770   3.836   3.502  0.4016 -0.7710 -0.5448
+    9ALA    HB1  141   4.851   3.912   3.511  0.7412 -1.0565 -1.2180
+    9ALA    HB2  142   4.760   3.795   3.400  1.8952 -1.9106 -0.2441
+    9ALA    HB3  143   4.818   3.755   3.561  3.9705  0.9857 -0.9003
+    9ALA      C  144   4.647   3.928   3.698 -0.2552  0.2716  0.5945
+    9ALA      O  145   4.613   3.854   3.789  0.4194 -0.3684 -0.5628
+   10ALA      N  146   4.690   4.056   3.711  0.3938  0.2572 -0.2870
+   10ALA     HN  147   4.715   4.108   3.630  1.0991  1.2672  0.5790
+   10ALA     CA  148   4.698   4.127   3.834  0.0840 -1.1394  0.5143
+   10ALA     HA  149   4.755   4.058   3.894  0.7222 -0.8812  0.1981
+   10ALA     CB  150   4.771   4.262   3.813 -0.3512 -0.2678  0.3933
+   10ALA    HB1  151   4.700   4.331   3.762  0.3306 -0.0749 -0.2992
+   10ALA    HB2  152   4.859   4.259   3.746 -0.8310  2.1909 -0.4086
+   10ALA    HB3  153   4.802   4.298   3.914 -1.5416  1.0413  0.3179
+   10ALA      C  154   4.564   4.143   3.906  0.7231 -0.3974  0.4465
+   10ALA      O  155   4.553   4.123   4.028  0.7264  0.1926 -0.0490
+   11ALA      N  156   4.461   4.174   3.831  0.0174 -0.1240 -0.8601
+   11ALA     HN  157   4.477   4.182   3.733 -1.3732  1.5237 -0.9793
+   11ALA     CA  158   4.323   4.195   3.879 -0.6994  0.3427 -0.4419
+   11ALA     HA  159   4.334   4.270   3.956 -1.9856  0.6822 -0.5816
+   11ALA     CB  160   4.224   4.236   3.768  0.2146  0.6788 -0.8109
+   11ALA    HB1  161   4.217   4.160   3.688  2.4129 -0.7207  0.2885
+   11ALA    HB2  162   4.260   4.332   3.726 -0.4223  1.3095  0.0448
+   11ALA    HB3  163   4.130   4.254   3.825 -1.0980  0.1286 -2.7550
+   11ALA      C  164   4.269   4.070   3.944  0.8981 -0.9687 -0.0633
+   11ALA      O  165   4.206   4.067   4.050 -0.4536 -0.2457  0.5946
+   12MET      N  166   4.293   3.951   3.885 -0.0263 -0.3075  0.3842
+   12MET     HN  167   4.328   3.958   3.792 -0.1017  3.6897  0.6092
+   12MET     CA  168   4.257   3.824   3.944  0.2297 -0.0314 -0.4787
+   12MET     HA  169   4.160   3.832   3.991  1.0536  2.9041  0.8263
+   12MET     CB  170   4.244   3.711   3.838 -0.0778  0.1525 -0.5515
+   12MET    HB1  171   4.229   3.610   3.882 -2.0819  0.7425  0.1615
+   12MET    HB2  172   4.344   3.709   3.789  1.0838 -1.8623  1.7567
+   12MET     CG  173   4.149   3.736   3.722 -0.2542  1.0315  0.4281
+   12MET    HG1  174   4.172   3.831   3.669 -0.0594  0.0198 -1.3661
+   12MET    HG2  175   4.051   3.754   3.771  0.6253  2.6574  1.6305
+   12MET     SD  176   4.139   3.607   3.601 -0.0163  0.1631 -0.0761
+   12MET     CE  177   3.970   3.644   3.541  1.2970  0.1933 -0.1786
+   12MET    HE1  178   3.960   3.664   3.432 -0.2174  3.2096  0.4750
+   12MET    HE2  179   3.919   3.732   3.584  1.5336 -0.0025  0.5003
+   12MET    HE3  180   3.900   3.558   3.553  0.7014  0.7416  0.3024
+   12MET      C  181   4.350   3.771   4.040 -0.6990 -0.0206 -0.3262
+   12MET      O  182   4.313   3.698   4.137  0.0129 -0.2190 -0.4866
+   13LYS      N  183   4.478   3.808   4.032  0.3500 -0.2379  0.7936
+   13LYS     HN  184   4.518   3.854   3.953  0.9939 -2.6364 -0.3100
+   13LYS     CA  185   4.570   3.786   4.142 -0.4086 -0.2226  0.0283
+   13LYS     HA  186   4.567   3.678   4.152 -3.3660 -0.2737 -1.1418
+   13LYS     CB  187   4.717   3.815   4.104  0.1874  0.3103 -0.1594
+   13LYS    HB1  188   4.731   3.923   4.083  0.9556  0.7913  2.6919
+   13LYS    HB2  189   4.740   3.753   4.014  1.5315 -1.0099  1.0580
+   13LYS     CG  190   4.829   3.770   4.195  0.1967 -0.0150 -0.0931
+   13LYS    HG1  191   4.814   3.821   4.293 -0.3265 -0.7190  0.2003
+   13LYS    HG2  192   4.925   3.798   4.146 -0.1375  1.5379  0.1053
+   13LYS     CD  193   4.835   3.622   4.219  0.0002 -0.0776  0.1572
+   13LYS    HD1  194   4.815   3.574   4.121  1.5089 -1.7294  0.6156
+   13LYS    HD2  195   4.748   3.595   4.283 -1.0182  1.3631 -0.6026
+   13LYS     CE  196   4.963   3.575   4.287  0.1147 -0.5411  0.3680
+   13LYS    HE1  197   4.967   3.644   4.374 -1.8839 -0.2720  0.2724
+   13LYS    HE2  198   5.052   3.581   4.221  1.1660  0.0186  1.8109
+   13LYS     NZ  199   4.958   3.441   4.340  0.5757  0.6790 -0.1347
+   13LYS    HZ1  200   5.038   3.425   4.405  0.1969 -2.2394 -0.3324
+   13LYS    HZ2  201   4.952   3.369   4.265 -0.9520  1.4681 -0.7832
+   13LYS    HZ3  202   4.865   3.438   4.387 -0.2954 -1.1797 -1.8683
+   13LYS      C  203   4.540   3.852   4.276  0.6484 -0.5530 -0.2601
+   13LYS      O  204   4.550   3.786   4.381 -0.0088 -0.0118 -0.4808
+   14ARG      N  205   4.504   3.982   4.273  0.3223  0.6101 -1.0739
+   14ARG     HN  206   4.499   4.022   4.182 -0.2618 -0.2353 -1.4214
+   14ARG     CA  207   4.474   4.062   4.389  0.0511  0.2936 -0.0495
+   14ARG     HA  208   4.536   4.023   4.468 -0.3230 -0.9225 -0.3447
+   14ARG     CB  209   4.489   4.213   4.373  0.0176  0.9279 -0.1271
+   14ARG    HB1  210   4.591   4.233   4.335  0.3701 -0.6612 -0.0586
+   14ARG    HB2  211   4.488   4.263   4.472 -0.9445  0.5980  0.0388
+   14ARG     CG  212   4.377   4.284   4.296  0.3007 -0.2459 -0.0074
+   14ARG    HG1  213   4.286   4.266   4.357  1.4785 -2.2269  1.2361
+   14ARG    HG2  214   4.362   4.237   4.197 -0.9814 -1.4957  0.7663
+   14ARG     CD  215   4.395   4.435   4.276  0.4726 -0.0603 -0.3115
+   14ARG    HD1  216   4.427   4.476   4.375  0.1236 -0.2953 -0.0976
+   14ARG    HD2  217   4.293   4.473   4.253  0.1925  0.4493  1.6139
+   14ARG     NE  218   4.501   4.460   4.178 -0.0883  0.0524  0.3210
+   14ARG     HE  219   4.594   4.480   4.211 -0.7426  1.2083  1.5276
+   14ARG     CZ  220   4.485   4.488   4.049 -0.1929  0.2088 -0.1331
+   14ARG    NH1  221   4.366   4.503   3.994 -0.0382  0.5225  0.0449
+   14ARG   HH11  222   4.291   4.552   4.040 -0.0122  1.3374 -0.7736
+   14ARG   HH12  223   4.354   4.530   3.898 -0.0982 -1.7163 -0.5997
+   14ARG    NH2  224   4.592   4.506   3.977 -0.0077 -0.8010 -0.2840
+   14ARG   HH21  225   4.680   4.520   4.023 -0.3627  1.8368 -0.3413
+   14ARG   HH22  226   4.589   4.515   3.878 -0.3146  0.2867 -0.1813
+   14ARG      C  227   4.331   4.035   4.444  0.0560 -0.2851 -0.4913
+   14ARG      O  228   4.299   4.062   4.560  0.0749  0.2709 -0.0669
+   15HSD      N  229   4.234   3.990   4.361 -0.1872  0.1238  0.5199
+   15HSD     HN  230   4.245   3.993   4.262  1.3531 -1.6728  0.6075
+   15HSD     CA  231   4.097   3.951   4.407 -0.3100  0.5146  0.1302
+   15HSD     HA  232   4.076   4.005   4.498 -1.9274  2.2361 -1.2155
+   15HSD     CB  233   3.993   4.001   4.301 -0.0041  0.5270  0.4906
+   15HSD    HB1  234   3.892   3.960   4.321 -1.1919  2.9336 -0.3646
+   15HSD    HB2  235   4.020   3.971   4.198  1.1487 -0.6194  1.1075
+   15HSD    ND1  236   3.931   4.227   4.203 -0.3300  0.2316 -0.1212
+   15HSD    HD1  237   3.892   4.198   4.116 -0.0081 -0.9165  0.1075
+   15HSD     CG  238   3.992   4.150   4.309  0.2961  0.2814  0.2133
+   15HSD    CE1  239   3.950   4.357   4.235  0.2056 -0.3152  0.0366
+   15HSD    HE1  240   3.938   4.433   4.158 -1.2222 -0.2969  0.2668
+   15HSD    NE2  241   4.010   4.368   4.357  0.1555  0.4392  0.6709
+   15HSD    CD2  242   4.034   4.241   4.401  0.0337  0.3985  0.1486
+   15HSD    HD2  243   4.081   4.229   4.498 -0.4076  1.4034  0.4902
+   15HSD      C  244   4.093   3.796   4.434  0.5031 -0.2807 -0.5157
+   15HSD      O  245   3.985   3.734   4.446 -0.7180 -0.4009  0.0986
+   16GLY      N  246   4.212   3.733   4.444  0.1823  0.3288  0.0336
+   16GLY     HN  247   4.290   3.794   4.437  1.3927 -1.2556 -0.5584
+   16GLY     CA  248   4.246   3.594   4.488  0.0752  0.2817 -0.3248
+   16GLY    HA1  249   4.221   3.605   4.592  1.3762  2.6864 -0.2278
+   16GLY    HA2  250   4.352   3.582   4.471 -0.0586 -1.0750 -0.2145
+   16GLY      C  251   4.187   3.464   4.431  0.4354 -0.3509  0.8751
+   16GLY      O  252   4.148   3.368   4.497  0.7511  0.3601  0.2890
+   17LEU      N  253   4.191   3.465   4.295 -0.1751  0.6724 -0.0747
+   17LEU     HN  254   4.190   3.552   4.247 -1.5560  0.6968 -0.0323
+   17LEU     CA  255   4.159   3.346   4.217  0.4450  0.3202  0.0695
+   17LEU     HA  256   4.081   3.291   4.267  0.6508  0.4247  0.5068
+   17LEU     CB  257   4.093   3.369   4.078 -0.9781  0.2512 -0.3881
+   17LEU    HB1  258   4.081   3.277   4.017  0.0914  1.1363 -1.9773
+   17LEU    HB2  259   4.153   3.442   4.020 -1.1937  0.6613 -0.1032
+   17LEU     CG  260   3.947   3.429   4.080  0.2426  0.2794 -0.9141
+   17LEU     HG  261   3.954   3.517   4.148  0.5554  0.5205 -1.2571
+   17LEU    CD1  262   3.904   3.474   3.939 -0.2711 -0.2357 -0.2350
+   17LEU   HD11  263   3.926   3.391   3.869 -2.2230 -1.4690  0.5719
+   17LEU   HD12  264   3.961   3.566   3.911  0.3461  0.1663  2.2315
+   17LEU   HD13  265   3.799   3.508   3.926 -0.0204  2.2396  3.3589
+   17LEU    CD2  266   3.849   3.330   4.140 -0.4970 -1.0011 -0.1462
+   17LEU   HD21  267   3.746   3.344   4.102 -0.0509 -2.6754 -2.0281
+   17LEU   HD22  268   3.846   3.314   4.250  1.1924 -0.3833  0.0065
+   17LEU   HD23  269   3.881   3.234   4.096  0.4786 -0.2590 -1.0913
+   17LEU      C  270   4.266   3.252   4.204 -0.4313  0.5804 -0.3203
+   17LEU      O  271   4.242   3.134   4.178  0.4138 -0.0339  0.5300
+   18ASP      N  272   4.395   3.285   4.223 -0.6604 -0.4753  0.0840
+   18ASP     HN  273   4.422   3.378   4.244  1.2378 -0.5019 -2.1319
+   18ASP     CA  274   4.510   3.193   4.204  0.8809  0.2510  0.3788
+   18ASP     HA  275   4.499   3.153   4.104 -0.5427  0.9988  0.2192
+   18ASP     CB  276   4.644   3.272   4.208  0.4942  0.3900 -0.1530
+   18ASP    HB1  277   4.681   3.283   4.312  1.0491 -2.6673  0.0318
+   18ASP    HB2  278   4.635   3.366   4.151 -1.5491  1.3453  1.6671
+   18ASP     CG  279   4.758   3.202   4.146 -0.2055 -0.4615  0.3780
+   18ASP    OD1  280   4.735   3.108   4.070  0.6063  0.2595 -0.1089
+   18ASP    OD2  281   4.878   3.241   4.169 -0.1540  0.6831 -0.0395
+   18ASP      C  282   4.521   3.067   4.298 -0.3620 -0.2219 -0.0627
+   18ASP      O  283   4.531   3.087   4.420  0.4136 -0.2998 -0.0390
+   19ASN      N  284   4.502   2.949   4.233 -0.0877  0.3992  0.5566
+   19ASN     HN  285   4.481   2.964   4.136  1.1365  0.2057  0.2587
+   19ASN     CA  286   4.486   2.819   4.295  0.9443 -0.0447 -0.5894
+   19ASN     HA  287   4.475   2.740   4.222 -2.4367  0.6689 -0.9292
+   19ASN     CB  288   4.605   2.783   4.392  0.3717 -0.3306  0.0012
+   19ASN    HB1  289   4.596   2.845   4.484 -5.3798  0.7328 -1.0386
+   19ASN    HB2  290   4.696   2.800   4.330  0.2677  1.7712  0.3830
+   19ASN     CG  291   4.598   2.634   4.450  0.4003 -0.1941 -0.3336
+   19ASN    OD1  292   4.556   2.621   4.567 -0.3883 -0.0222  0.5752
+   19ASN    ND2  293   4.641   2.533   4.371  0.0229  0.3073 -0.5801
+   19ASN   HD21  294   4.657   2.436   4.392  1.2451  0.6594  0.1702
+   19ASN   HD22  295   4.659   2.547   4.274  0.9410  1.1300 -0.3011
+   19ASN      C  296   4.348   2.814   4.371 -0.1763  0.4670 -0.3657
+   19ASN      O  297   4.328   2.723   4.453  0.5530 -0.5811 -0.3980
+   20TYR      N  298   4.249   2.907   4.349 -0.5708  0.2933 -0.2235
+   20TYR     HN  299   4.259   2.975   4.277  0.9103  1.2875  0.9062
+   20TYR     CA  300   4.125   2.908   4.420 -0.1327  0.0959 -0.4556
+   20TYR     HA  301   4.153   2.898   4.524  1.4581  1.8116 -0.6899
+   20TYR     CB  302   4.042   3.037   4.411 -0.4042  0.4416 -0.4876
+   20TYR    HB1  303   4.008   3.052   4.307 -0.1777  1.1056 -0.4618
+   20TYR    HB2  304   4.104   3.122   4.446  0.1128 -0.2406  0.2771
+   20TYR     CG  305   3.923   3.019   4.503  0.0412  0.0121 -0.6318
+   20TYR    CD1  306   3.931   3.039   4.643 -0.4035 -0.1923 -0.1705
+   20TYR    HD1  307   4.025   3.075   4.684  1.1670 -0.4881 -3.3445
+   20TYR    CE1  308   3.821   3.033   4.729  0.1205  0.7632  0.5984
+   20TYR    HE1  309   3.829   3.063   4.832 -0.4725 -0.4318  0.9949
+   20TYR     CZ  310   3.699   2.991   4.675 -0.1643 -0.7012 -0.3634
+   20TYR     OH  311   3.585   2.982   4.760 -0.9015  0.1264  0.3097
+   20TYR     HH  312   3.525   2.922   4.715 -0.4621 -1.7484  2.1106
+   20TYR    CD2  313   3.792   2.990   4.449  0.6405  0.3061  0.3346
+   20TYR    HD2  314   3.779   2.977   4.342 -1.8871  0.8158  0.5534
+   20TYR    CE2  315   3.687   2.961   4.538  0.1004  0.1056  0.5049
+   20TYR    HE2  316   3.588   2.943   4.499  0.3169  1.2114 -0.5881
+   20TYR      C  317   4.030   2.791   4.373 -0.2794  0.2536  0.1069
+   20TYR      O  318   3.991   2.779   4.257 -0.7209 -0.2584 -0.1616
+   21ARG      N  319   4.008   2.694   4.468 -0.3390  0.1114  0.4887
+   21ARG     HN  320   4.030   2.719   4.562 -0.0115 -2.7848  1.2425
+   21ARG     CA  321   3.942   2.560   4.440 -0.3839 -0.2904 -0.2988
+   21ARG     HA  322   3.955   2.502   4.531  2.0071  1.1080  0.3048
+   21ARG     CB  323   3.785   2.559   4.420  0.2965 -0.8441 -0.5997
+   21ARG    HB1  324   3.752   2.455   4.396 -0.6869 -0.5461 -0.5653
+   21ARG    HB2  325   3.766   2.636   4.343 -1.5820  1.1694  1.8049
+   21ARG     CG  326   3.696   2.592   4.544  0.4643 -0.4804 -0.5230
+   21ARG    HG1  327   3.589   2.588   4.515  0.1712 -2.8038  0.7504
+   21ARG    HG2  328   3.728   2.693   4.580 -2.5492  0.2930  0.0782
+   21ARG     CD  329   3.713   2.492   4.661  0.4057  0.3376 -0.1397
+   21ARG    HD1  330   3.720   2.387   4.623 -0.9779  0.1595  0.0643
+   21ARG    HD2  331   3.622   2.491   4.724  2.2345 -1.1332  2.5827
+   21ARG     NE  332   3.836   2.531   4.739  0.6644  0.1572 -0.4235
+   21ARG     HE  333   3.921   2.478   4.735  0.6017 -0.1794  1.7039
+   21ARG     CZ  334   3.845   2.621   4.834 -0.0399  0.1918 -0.5322
+   21ARG    NH1  335   3.959   2.654   4.898  0.2867 -0.3679  0.2619
+   21ARG   HH11  336   3.964   2.737   4.953  2.2312 -1.0640  1.1545
+   21ARG   HH12  337   4.043   2.601   4.889  0.3905 -0.8028  3.2220
+   21ARG    NH2  338   3.739   2.699   4.866  0.6059  0.1792 -0.0026
+   21ARG   HH21  339   3.652   2.663   4.832  1.5341 -0.9906 -1.1647
+   21ARG   HH22  340   3.739   2.743   4.955 -1.8144 -1.7645  0.9885
+   21ARG      C  341   4.025   2.463   4.362  0.1408  0.0540 -0.6161
+   21ARG      O  342   3.978   2.362   4.309 -0.4955 -0.2252 -0.1736
+   22GLY      N  343   4.156   2.490   4.354  0.7496  0.1285 -0.0779
+   22GLY     HN  344   4.197   2.569   4.398  0.6281 -0.2565  0.7243
+   22GLY     CA  345   4.251   2.403   4.286  0.0137 -0.6356 -0.0812
+   22GLY    HA1  346   4.205   2.311   4.252  0.7740 -0.2708 -2.1287
+   22GLY    HA2  347   4.332   2.380   4.354  0.1280  0.4772  0.1702
+   22GLY      C  348   4.312   2.462   4.155  0.6174  0.5425  0.1863
+   22GLY      O  349   4.404   2.408   4.093  0.2134 -0.7573  0.2427
+   23TYR      N  350   4.255   2.576   4.109 -0.2147  0.2066  0.2246
+   23TYR     HN  351   4.186   2.631   4.154 -2.3464 -2.1938  0.0091
+   23TYR     CA  352   4.268   2.626   3.973  1.0477  0.9086  0.1154
+   23TYR     HA  353   4.308   2.545   3.913 -1.3527 -0.2863  0.0726
+   23TYR     CB  354   4.134   2.667   3.893 -0.4982 -0.1268 -0.4437
+   23TYR    HB1  355   4.167   2.697   3.791  2.0757 -1.0702  0.0723
+   23TYR    HB2  356   4.086   2.750   3.949 -0.0947  1.0179 -1.7705
+   23TYR     CG  357   4.037   2.555   3.885  0.5930  0.0550  0.1538
+   23TYR    CD1  358   4.038   2.473   3.773  0.0626 -0.9262  0.4096
+   23TYR    HD1  359   4.105   2.497   3.692  0.9690 -0.5497  1.2647
+   23TYR    CE1  360   3.944   2.370   3.760  0.3027  0.3625 -0.2711
+   23TYR    HE1  361   3.941   2.303   3.676 -0.9788  0.2362 -0.1294
+   23TYR     CZ  362   3.847   2.349   3.864 -0.3918 -0.5188  0.4915
+   23TYR     OH  363   3.759   2.234   3.858 -1.1349 -0.3164 -0.2800
+   23TYR     HH  364   3.735   2.215   3.948  2.1059 -0.0358  0.7064
+   23TYR    CD2  365   3.937   2.542   3.985  0.2077 -0.1311  0.0889
+   23TYR    HD2  366   3.952   2.612   4.066 -1.0261 -2.3887  2.3522
+   23TYR    CE2  367   3.845   2.438   3.978  0.0424 -0.1840  0.8881
+   23TYR    HE2  368   3.775   2.424   4.059 -0.5150 -1.0956  0.2539
+   23TYR      C  369   4.370   2.741   3.961  0.9351 -0.6077 -0.2688
+   23TYR      O  370   4.345   2.850   4.013  0.1816  0.3023 -0.2384
+   24SER      N  371   4.493   2.723   3.903 -0.3554 -0.2365  0.9067
+   24SER     HN  372   4.523   2.638   3.860 -1.9846 -0.7320  0.7195
+   24SER     CA  373   4.595   2.834   3.887  0.0646 -0.2056 -0.1131
+   24SER     HA  374   4.618   2.864   3.989 -0.0245 -1.5843  0.3273
+   24SER     CB  375   4.733   2.801   3.826  0.1964 -0.4038 -0.0914
+   24SER    HB1  376   4.783   2.718   3.880  1.4935  1.2772  1.3679
+   24SER    HB2  377   4.799   2.891   3.826 -1.8382  1.1301  1.6220
+   24SER     OG  378   4.710   2.748   3.692 -0.3120  0.2493  0.0626
+   24SER    HG1  379   4.797   2.720   3.661  0.3304  1.7728  0.4427
+   24SER      C  380   4.543   2.958   3.818 -0.5636 -0.0454  0.1089
+   24SER      O  381   4.447   2.943   3.739  0.0026 -0.3938  0.3923
+   25LEU      N  382   4.601   3.077   3.837 -0.0320 -0.2475  0.0796
+   25LEU     HN  383   4.654   3.081   3.921  2.4972 -4.0798 -1.2151
+   25LEU     CA  384   4.568   3.212   3.780 -0.2707 -0.0105 -0.6307
+   25LEU     HA  385   4.481   3.259   3.823 -1.2242  0.2597 -2.7904
+   25LEU     CB  386   4.687   3.309   3.806 -0.3338 -0.3872  0.3485
+   25LEU    HB1  387   4.776   3.251   3.773 -0.8426 -1.7466  1.3185
+   25LEU    HB2  388   4.703   3.313   3.916 -1.2954  1.4237  0.4353
+   25LEU     CG  389   4.677   3.449   3.749 -0.2752 -0.3485  0.2717
+   25LEU     HG  390   4.692   3.447   3.639 -0.6604  0.4165  0.2012
+   25LEU    CD1  391   4.545   3.516   3.775  0.2025  0.2826 -0.4809
+   25LEU   HD11  392   4.470   3.476   3.704  0.5115  0.9594 -1.1939
+   25LEU   HD12  393   4.551   3.623   3.747 -2.4849  0.1833 -1.5950
+   25LEU   HD13  394   4.514   3.507   3.881  1.5156 -1.3069 -0.2102
+   25LEU    CD2  395   4.784   3.542   3.805  0.8150 -0.7597  0.9786
+   25LEU   HD21  396   4.779   3.552   3.915  0.5687 -1.7155  1.0593
+   25LEU   HD22  397   4.766   3.644   3.763  1.7542 -1.1721 -0.4914
+   25LEU   HD23  398   4.887   3.509   3.778  1.2106  0.8872  0.4035
+   25LEU      C  399   4.536   3.195   3.623 -0.9609 -0.1295 -0.0859
+   25LEU      O  400   4.447   3.258   3.572  0.0808 -0.2567  0.2728
+   26GLY      N  401   4.613   3.107   3.552 -0.1468  0.0729 -0.4892
+   26GLY     HN  402   4.680   3.063   3.611  0.2342  0.3864 -0.6916
+   26GLY     CA  403   4.616   3.090   3.410  0.1416 -0.0140 -0.1412
+   26GLY    HA1  404   4.691   3.018   3.379  0.6337  0.1930  0.5668
+   26GLY    HA2  405   4.647   3.176   3.353 -1.3239 -0.8616 -2.3150
+   26GLY      C  406   4.485   3.053   3.351  0.3291  0.5894 -0.5427
+   26GLY      O  407   4.447   3.099   3.246  0.4116 -0.1194 -0.1762
+   27ASN      N  408   4.421   2.967   3.424 -0.2436 -0.2443  0.1835
+   27ASN     HN  409   4.459   2.935   3.510 -0.4447 -0.4456  0.1977
+   27ASN     CA  410   4.299   2.909   3.375 -0.3025  0.0381 -0.0304
+   27ASN     HA  411   4.324   2.873   3.276  2.5602 -1.5335  1.1991
+   27ASN     CB  412   4.245   2.800   3.476 -0.3492  0.3127  0.4364
+   27ASN    HB1  413   4.140   2.766   3.460  0.1426 -0.8512 -0.3650
+   27ASN    HB2  414   4.271   2.846   3.574  0.9037 -1.6909  1.0727
+   27ASN     CG  415   4.325   2.674   3.456 -0.1750 -0.7240  0.5266
+   27ASN    OD1  416   4.299   2.602   3.356  1.0326 -0.4282 -0.2298
+   27ASN    ND2  417   4.416   2.637   3.542 -0.0974 -0.0361  0.5460
+   27ASN   HD21  418   4.467   2.554   3.519 -3.5703 -1.9616 -0.5087
+   27ASN   HD22  419   4.450   2.692   3.619  2.2614  2.0218 -1.8805
+   27ASN      C  420   4.188   3.013   3.378  0.3315  0.2739 -0.4845
+   27ASN      O  421   4.110   3.024   3.284 -0.5436 -0.1070 -0.1857
+   28TRP      N  422   4.181   3.097   3.482  0.6090  1.0202 -0.0209
+   28TRP     HN  423   4.256   3.100   3.548 -0.1769  2.4528  0.8359
+   28TRP     CA  424   4.087   3.206   3.487  0.3742 -0.0716  0.4805
+   28TRP     HA  425   3.987   3.168   3.471 -0.1405  1.8440 -1.0845
+   28TRP     CB  426   4.079   3.270   3.621 -0.7096 -0.2055 -0.4403
+   28TRP    HB1  427   3.991   3.338   3.628  0.2965  0.9618  1.0362
+   28TRP    HB2  428   4.167   3.331   3.651 -1.8977  0.5824  1.5683
+   28TRP     CG  429   4.076   3.164   3.726  0.4204  0.4089 -0.4046
+   28TRP    CD1  430   4.172   3.108   3.803  0.0699 -0.1941 -0.3209
+   28TRP    HD1  431   4.275   3.141   3.798  0.1859 -0.2080  1.4996
+   28TRP    NE1  432   4.119   3.028   3.897 -0.4580  0.0254 -0.0622
+   28TRP    HE1  433   4.157   2.995   3.981 -0.5329 -2.0195 -0.8041
+   28TRP    CE2  434   3.984   3.041   3.899  0.1557  0.5428 -0.2677
+   28TRP    CD2  435   3.946   3.122   3.788 -0.8674  0.1203  0.0039
+   28TRP    CE3  436   3.812   3.148   3.760  0.1209  0.8743 -0.1894
+   28TRP    HE3  437   3.779   3.220   3.686 -0.0455  0.4895 -0.4933
+   28TRP    CZ3  438   3.717   3.100   3.847  0.8514  0.6168  0.2854
+   28TRP    HZ3  439   3.614   3.129   3.831  0.6528  0.3125  0.9890
+   28TRP    CZ2  440   3.886   2.986   3.979  0.1452 -0.0424  0.4543
+   28TRP    HZ2  441   3.896   2.915   4.060 -0.3324  0.2466  0.7674
+   28TRP    CH2  442   3.747   3.017   3.956 -0.3020 -0.1758  0.4863
+   28TRP    HH2  443   3.682   2.972   4.030 -1.2492 -2.6630 -1.7926
+   28TRP      C  444   4.109   3.309   3.382  0.4029 -0.7799 -0.9508
+   28TRP      O  445   4.012   3.367   3.326 -0.3399 -0.0994 -0.1120
+   29VAL      N  446   4.233   3.343   3.355 -0.0650  0.5749  0.2696
+   29VAL     HN  447   4.311   3.304   3.403  0.0333 -0.4548 -0.6995
+   29VAL     CA  448   4.275   3.424   3.238  0.2467  0.0579 -0.1170
+   29VAL     HA  449   4.218   3.516   3.245  1.9121  1.0837  0.0856
+   29VAL     CB  450   4.426   3.458   3.250  0.5714 -0.1600  0.1669
+   29VAL     HB  451   4.479   3.363   3.272  0.8537  0.2912  1.5337
+   29VAL    CG1  452   4.481   3.540   3.134 -0.1022  0.1555  0.1193
+   29VAL   HG11  453   4.431   3.639   3.127  0.0020  0.1705 -0.4742
+   29VAL   HG12  454   4.478   3.487   3.036  0.1448  1.6602 -0.7083
+   29VAL   HG13  455   4.588   3.568   3.147  0.1613 -0.1741 -1.1654
+   29VAL    CG2  456   4.443   3.539   3.383 -0.2010  0.2072 -0.1379
+   29VAL   HG21  457   4.412   3.477   3.470  0.9594  1.1475  0.9657
+   29VAL   HG22  458   4.375   3.627   3.383  0.8787  1.0567 -0.7631
+   29VAL   HG23  459   4.549   3.565   3.404 -0.8676  1.8240  1.3667
+   29VAL      C  460   4.240   3.364   3.105  0.0392  0.3617 -1.1616
+   29VAL      O  461   4.199   3.442   3.015  0.1059 -0.2117 -0.1068
+   30CYS      N  462   4.260   3.229   3.080  0.5436  0.4113  0.1296
+   30CYS     HN  463   4.314   3.180   3.148  0.4125 -0.5873 -0.4763
+   30CYS     CA  464   4.222   3.156   2.960  0.3760 -0.1369 -0.4406
+   30CYS     HA  465   4.261   3.214   2.877 -0.4658  0.7550 -0.2293
+   30CYS     CB  466   4.281   3.010   2.947 -0.5996  0.2588  0.1757
+   30CYS    HB1  467   4.252   2.938   3.026  0.2707 -2.7451 -2.1666
+   30CYS    HB2  468   4.389   3.023   2.972 -0.4172  0.0551 -0.5127
+   30CYS     SG  469   4.248   2.932   2.783 -0.3159  0.1425  0.2772
+   30CYS      C  470   4.076   3.161   2.933  0.5493  0.4435 -0.0412
+   30CYS      O  471   4.025   3.175   2.820 -0.0710 -0.4898 -0.1346
+   31ALA      N  472   3.998   3.144   3.045 -0.0168 -0.2762  0.8845
+   31ALA     HN  473   4.049   3.137   3.131  2.8530 -0.2327 -0.7558
+   31ALA     CA  474   3.853   3.162   3.033 -0.1819 -0.6894 -0.3499
+   31ALA     HA  475   3.814   3.091   2.961 -0.1392  0.5828 -1.6386
+   31ALA     CB  476   3.772   3.137   3.160 -0.2362 -0.1274 -0.4828
+   31ALA    HB1  477   3.818   3.185   3.249  0.6543  1.4119 -1.7427
+   31ALA    HB2  478   3.767   3.028   3.183  0.0200 -0.2255 -0.8850
+   31ALA    HB3  479   3.665   3.160   3.144 -0.1997  0.7525  0.4543
+   31ALA      C  480   3.807   3.295   2.982  0.2906 -0.4447 -0.1914
+   31ALA      O  481   3.723   3.316   2.903  0.2033 -0.1896  0.4339
+   32ALA      N  482   3.860   3.397   3.046 -0.0292 -0.5834  0.3922
+   32ALA     HN  483   3.905   3.384   3.135  0.3267 -0.3888  0.2428
+   32ALA     CA  484   3.835   3.538   3.015  0.1956 -0.1815  0.4296
+   32ALA     HA  485   3.730   3.556   3.029 -0.4849 -1.4067 -2.7687
+   32ALA     CB  486   3.926   3.613   3.110  0.0285 -0.9531  0.5112
+   32ALA    HB1  487   4.029   3.572   3.106  0.7783  1.0145 -2.2786
+   32ALA    HB2  488   3.879   3.625   3.210 -1.0422 -2.2347  0.1770
+   32ALA    HB3  489   3.939   3.719   3.079  0.9123 -1.1129  0.3123
+   32ALA      C  490   3.872   3.576   2.878  0.1708  0.0798  0.5334
+   32ALA      O  491   3.799   3.650   2.807  0.1974  0.1445  0.0091
+   33LYS      N  492   3.984   3.519   2.828  0.1964 -0.4150 -0.8697
+   33LYS     HN  493   4.034   3.464   2.894 -0.0381  2.2404  1.6183
+   33LYS     CA  494   4.022   3.536   2.688  0.7724 -0.4129 -0.0118
+   33LYS     HA  495   4.027   3.642   2.670  0.3472 -0.4149 -0.1374
+   33LYS     CB  496   4.152   3.460   2.659  0.0843  0.8109  0.1762
+   33LYS    HB1  497   4.150   3.357   2.701 -1.5167  0.8534  0.2283
+   33LYS    HB2  498   4.233   3.515   2.712 -0.2013 -0.1304  1.6364
+   33LYS     CG  499   4.197   3.466   2.519  0.1787 -0.6386 -0.1404
+   33LYS    HG1  500   4.127   3.404   2.459  0.6758 -1.1536 -0.1969
+   33LYS    HG2  501   4.299   3.422   2.509  1.2130  1.2474  1.7722
+   33LYS     CD  502   4.203   3.608   2.454 -0.5234 -0.0703  0.3357
+   33LYS    HD1  503   4.285   3.671   2.496 -0.5400  1.0620 -1.2630
+   33LYS    HD2  504   4.105   3.657   2.472 -1.0399 -0.4591 -1.3053
+   33LYS     CE  505   4.227   3.608   2.308  0.6182  0.6666 -0.7536
+   33LYS    HE1  506   4.190   3.527   2.241  0.7170  1.5037 -1.8467
+   33LYS    HE2  507   4.336   3.588   2.297  0.4982 -1.2108  1.2212
+   33LYS     NZ  508   4.192   3.730   2.242  0.1563 -0.5515  0.3839
+   33LYS    HZ1  509   4.220   3.819   2.287 -2.3776 -0.9340  2.8378
+   33LYS    HZ2  510   4.090   3.748   2.228  0.7421  2.8376 -0.0114
+   33LYS    HZ3  511   4.242   3.736   2.151  0.5846 -1.7242  0.5398
+   33LYS      C  512   3.920   3.485   2.592  0.0576 -0.2024  0.4399
+   33LYS      O  513   3.888   3.550   2.497 -0.1596 -0.3496  0.6767
+   34PHE      N  514   3.869   3.364   2.615  0.7333 -0.2838 -0.2385
+   34PHE     HN  515   3.900   3.303   2.687  0.0704 -3.8994 -2.8419
+   34PHE     CA  516   3.772   3.310   2.519  0.3959  0.1750  0.2960
+   34PHE     HA  517   3.776   3.361   2.424  4.0342 -0.9721 -0.2334
+   34PHE     CB  518   3.815   3.165   2.500  0.1694  0.0793  1.0652
+   34PHE    HB1  519   3.734   3.112   2.445 -1.2854 -0.0775  3.3239
+   34PHE    HB2  520   3.831   3.107   2.594  1.5970 -0.8602  0.2735
+   34PHE     CG  521   3.947   3.163   2.410  0.3472  0.3454 -0.1026
+   34PHE    CD1  522   3.939   3.171   2.273  0.2363 -0.8051  0.7920
+   34PHE    HD1  523   3.848   3.192   2.219  1.6998  1.2980 -1.0045
+   34PHE    CE1  524   4.060   3.171   2.198 -0.2317 -0.8100  0.5359
+   34PHE    HE1  525   4.050   3.181   2.091 -0.6842 -0.8251  0.5757
+   34PHE     CZ  526   4.179   3.144   2.256 -0.9612  0.1918  0.3872
+   34PHE     HZ  527   4.265   3.127   2.193 -1.1050  0.4815  0.1129
+   34PHE    CD2  528   4.073   3.135   2.465  0.3840 -0.8831 -0.4084
+   34PHE    HD2  529   4.074   3.109   2.570  0.3034  0.2848 -0.1125
+   34PHE    CE2  530   4.187   3.116   2.395 -0.3244  0.1948  0.6382
+   34PHE    HE2  531   4.280   3.092   2.443  0.2325 -0.8150 -0.9265
+   34PHE      C  532   3.624   3.321   2.553  0.2165 -0.5491  0.5165
+   34PHE      O  533   3.532   3.321   2.464 -0.1371  0.2741  0.1279
+   35GLU      N  534   3.587   3.351   2.680  0.4772  0.8508  0.1344
+   35GLU     HN  535   3.650   3.350   2.757  1.4037  1.0873 -0.6203
+   35GLU     CA  536   3.448   3.395   2.708 -0.7338  0.0510 -0.3086
+   35GLU     HA  537   3.384   3.327   2.654 -1.5759 -0.2004  1.0080
+   35GLU     CB  538   3.415   3.378   2.855  0.4315 -0.1230  0.1718
+   35GLU    HB1  539   3.323   3.435   2.879  1.9552  1.8403  1.5074
+   35GLU    HB2  540   3.498   3.428   2.909  0.3419 -0.4250  0.5913
+   35GLU     CG  541   3.402   3.233   2.912 -0.5367  0.1850 -0.0800
+   35GLU    HG1  542   3.363   3.244   3.015 -2.3622  1.8651 -0.9147
+   35GLU    HG2  543   3.498   3.178   2.907 -0.5794  0.0692  0.3963
+   35GLU     CD  544   3.305   3.140   2.840  0.3497  0.4944 -0.6661
+   35GLU    OE1  545   3.227   3.169   2.747  0.3072 -0.2692 -0.2298
+   35GLU    OE2  546   3.305   3.025   2.888  0.2250  0.3698  0.0269
+   35GLU      C  547   3.423   3.534   2.654  0.5679 -0.0582 -0.4665
+   35GLU      O  548   3.328   3.558   2.582 -0.2452  0.1100  0.1681
+   36SER      N  549   3.507   3.635   2.679 -0.1731  0.7988 -0.1195
+   36SER     HN  550   3.578   3.623   2.748 -0.7463  0.9363  0.5019
+   36SER     CA  551   3.465   3.776   2.661  0.2880 -0.0395 -0.2274
+   36SER     HA  552   3.370   3.786   2.610  0.2715  0.7749 -0.0475
+   36SER     CB  553   3.458   3.853   2.798 -0.8549  0.1597 -0.5656
+   36SER    HB1  554   3.374   3.803   2.851 -0.4694  1.4616  1.3486
+   36SER    HB2  555   3.446   3.960   2.772  0.1844  1.4457  3.7514
+   36SER     OG  556   3.579   3.837   2.871 -0.0464 -0.2215  0.3690
+   36SER    HG1  557   3.564   3.764   2.931 -1.2219 -0.1507  0.1773
+   36SER      C  558   3.562   3.857   2.573  0.1749 -0.2503 -0.2352
+   36SER      O  559   3.531   3.970   2.535 -0.1435 -0.2554  0.0676
+   37ASN      N  560   3.676   3.804   2.531 -0.0813  0.3116 -0.0309
+   37ASN     HN  561   3.692   3.707   2.549 -0.2464  0.4107  0.6491
+   37ASN     CA  562   3.791   3.878   2.474  0.1874  0.2924  0.3161
+   37ASN     HA  563   3.872   3.808   2.491 -0.2712 -0.5341 -0.8428
+   37ASN     CB  564   3.768   3.910   2.326  0.2003 -0.0312 -0.2586
+   37ASN    HB1  565   3.693   3.992   2.326 -1.5674 -1.6249 -0.2891
+   37ASN    HB2  566   3.734   3.812   2.286  1.0835 -0.2900 -0.3857
+   37ASN     CG  567   3.889   3.962   2.265 -0.9638 -0.2945 -1.0010
+   37ASN    OD1  568   4.002   3.926   2.298 -0.0245  0.1578  1.0106
+   37ASN    ND2  569   3.877   4.052   2.166 -0.1427 -0.4967 -0.1891
+   37ASN   HD21  570   3.797   4.057   2.107  0.0429 -0.0705 -0.4133
+   37ASN   HD22  571   3.969   4.085   2.144 -0.9142  1.5422 -0.4578
+   37ASN      C  572   3.834   4.002   2.565  0.3184  0.1539  0.3268
+   37ASN      O  573   3.885   4.103   2.519 -0.0646  0.0408  0.3734
+   38PHE      N  574   3.820   3.989   2.698  0.2461 -0.0187 -0.4564
+   38PHE     HN  575   3.772   3.914   2.743 -0.4221  0.3838 -0.4933
+   38PHE     CA  576   3.877   4.073   2.808  0.2344  0.2856 -0.0743
+   38PHE     HA  577   3.880   4.008   2.894  1.5308 -2.1044 -1.8575
+   38PHE     CB  578   4.022   4.119   2.797  0.9909  0.8717 -0.5675
+   38PHE    HB1  579   4.053   4.189   2.877  1.1464  0.1980 -0.0328
+   38PHE    HB2  580   4.040   4.173   2.701  1.4322 -0.3254 -1.1664
+   38PHE     CG  581   4.120   4.005   2.801  0.5969  0.2331  0.6455
+   38PHE    CD1  582   4.102   3.888   2.883  0.1890  0.2319  0.4571
+   38PHE    HD1  583   4.016   3.869   2.944  0.2772 -0.0004  0.5092
+   38PHE    CE1  584   4.202   3.787   2.871 -0.9685 -0.5329 -0.7200
+   38PHE    HE1  585   4.188   3.693   2.922 -0.2375  0.1887  0.8415
+   38PHE     CZ  586   4.312   3.803   2.794 -0.3150  0.0855 -0.3305
+   38PHE     HZ  587   4.387   3.725   2.791  1.6288  1.9070 -1.5468
+   38PHE    CD2  588   4.244   4.028   2.725 -0.7103  0.3174  0.1385
+   38PHE    HD2  589   4.250   4.120   2.669  0.1732 -0.4546 -1.0412
+   38PHE    CE2  590   4.340   3.926   2.726  0.4573 -0.1562 -0.7159
+   38PHE    HE2  591   4.427   3.935   2.663  0.5427  0.8527 -0.4573
+   38PHE      C  592   3.783   4.188   2.841 -0.3161  0.2724  0.9708
+   38PHE      O  593   3.827   4.289   2.892  0.3593  0.0120 -0.7983
+   39ASN      N  594   3.653   4.163   2.809  0.4251  0.2254 -0.4616
+   39ASN     HN  595   3.619   4.086   2.756 -1.5992 -0.0265  1.1073
+   39ASN     CA  596   3.557   4.271   2.797 -0.2048  0.2635  0.5095
+   39ASN     HA  597   3.606   4.367   2.795  0.7594 -0.2477 -0.7733
+   39ASN     CB  598   3.488   4.257   2.658  0.2876  0.4580  0.1987
+   39ASN    HB1  599   3.413   4.175   2.659  0.2375  0.5250  1.7777
+   39ASN    HB2  600   3.569   4.225   2.589 -0.6982  1.7176 -1.5816
+   39ASN     CG  601   3.414   4.373   2.606  0.2314  0.3085  0.6179
+   39ASN    OD1  602   3.398   4.469   2.682  0.1753 -0.2425  0.5622
+   39ASN    ND2  603   3.342   4.361   2.488 -0.2867  0.4691 -0.1049
+   39ASN   HD21  604   3.289   4.442   2.464 -0.5658  0.1804 -0.4548
+   39ASN   HD22  605   3.331   4.276   2.436  1.8287 -0.9095  1.5835
+   39ASN      C  606   3.454   4.267   2.904 -0.0235 -0.1618 -0.5452
+   39ASN      O  607   3.378   4.172   2.922  0.1766  0.3889 -0.1842
+   40THR      N  608   3.439   4.373   2.994 -0.1131 -0.2281  0.1554
+   40THR     HN  609   3.493   4.456   2.978  0.3696 -0.5138  0.2753
+   40THR     CA  610   3.333   4.375   3.099  0.5857  0.4368  0.6880
+   40THR     HA  611   3.341   4.280   3.149 -0.3723 -1.4196 -2.5677
+   40THR     CB  612   3.347   4.487   3.202  0.0095  0.2292 -0.0924
+   40THR     HB  613   3.279   4.487   3.290  0.7254 -1.9736  0.4893
+   40THR    OG1  614   3.359   4.617   3.143 -0.1662  0.7128 -0.4622
+   40THR    HG1  615   3.328   4.681   3.209 -0.9220  1.6993 -1.7411
+   40THR    CG2  616   3.485   4.452   3.278  0.2560  0.4111 -0.2296
+   40THR   HG21  617   3.568   4.485   3.213 -1.0762  2.4042 -0.9653
+   40THR   HG22  618   3.480   4.349   3.318 -0.3929  0.5100 -0.0421
+   40THR   HG23  619   3.485   4.520   3.366  1.9808 -0.2931  0.3376
+   40THR      C  620   3.196   4.389   3.045  0.6171  0.4876  1.2089
+   40THR      O  621   3.097   4.353   3.099 -0.1103 -0.8865  1.2519
+   41GLN      N  622   3.186   4.453   2.927  0.1185  0.2981  0.1977
+   41GLN     HN  623   3.273   4.487   2.892  1.0289 -1.5139  0.6484
+   41GLN     CA  624   3.059   4.484   2.855  0.1110 -0.8325  0.4360
+   41GLN     HA  625   2.981   4.493   2.930  0.3970 -1.0378  0.7583
+   41GLN     CB  626   3.069   4.617   2.772  0.2742 -0.2324  0.1752
+   41GLN    HB1  627   2.978   4.642   2.713 -0.3225  0.5525  1.3939
+   41GLN    HB2  628   3.151   4.599   2.700  1.2334 -0.7389  1.3733
+   41GLN     CG  629   3.090   4.751   2.842 -0.6485 -0.0065  0.3289
+   41GLN    HG1  630   3.110   4.824   2.761  1.3399  0.1792  0.9466
+   41GLN    HG2  631   3.179   4.755   2.908 -0.5395 -0.8308  0.2392
+   41GLN     CD  632   2.970   4.786   2.922 -0.5071  0.1754  0.5776
+   41GLN    OE1  633   2.862   4.802   2.862  0.0826  0.5715  0.7217
+   41GLN    NE2  634   2.990   4.794   3.053 -0.0817  0.7627 -0.6862
+   41GLN   HE21  635   2.915   4.829   3.109  2.1199  0.2389  2.7728
+   41GLN   HE22  636   3.080   4.789   3.096 -1.1823  2.9351  2.0199
+   41GLN      C  637   3.003   4.386   2.758  0.3532 -0.1418 -0.7637
+   41GLN      O  638   2.891   4.398   2.703 -0.2024 -0.2608  0.1218
+   42ALA      N  639   3.085   4.285   2.725 -0.1253  0.2928  0.1320
+   42ALA     HN  640   3.171   4.280   2.775  1.1920 -2.6987 -2.2899
+   42ALA     CA  641   3.046   4.169   2.646  0.5680 -0.1690  0.1369
+   42ALA     HA  642   3.014   4.206   2.550  2.3532 -0.0494 -0.4276
+   42ALA     CB  643   3.169   4.086   2.615 -0.0960  0.0180 -1.1111
+   42ALA    HB1  644   3.218   4.056   2.710 -1.0509  0.8624 -0.3446
+   42ALA    HB2  645   3.239   4.141   2.549 -1.9780  1.3297 -2.0604
+   42ALA    HB3  646   3.141   3.991   2.563  0.7880  0.6629 -2.8040
+   42ALA      C  647   2.924   4.094   2.713 -0.2994  0.5936  0.4630
+   42ALA      O  648   2.922   4.068   2.834 -0.3051 -0.3296  0.0763
+   43THR      N  649   2.814   4.069   2.634  0.0509  0.1292  0.7270
+   43THR     HN  650   2.810   4.108   2.542  1.6544 -0.5123  0.3629
+   43THR     CA  651   2.699   3.984   2.670 -0.4246  0.4189  0.7900
+   43THR     HA  652   2.738   3.910   2.739  0.6905  2.2600  2.2043
+   43THR     CB  653   2.576   4.062   2.726  0.2468 -0.3461 -0.1272
+   43THR     HB  654   2.503   3.988   2.764 -0.6134  0.5558  0.0084
+   43THR    OG1  655   2.516   4.142   2.624  0.0071  0.0598  0.0461
+   43THR    HG1  656   2.579   4.212   2.608  2.1174 -0.8971  3.6338
+   43THR    CG2  657   2.598   4.157   2.847  0.0731 -0.0571 -0.2283
+   43THR   HG21  658   2.645   4.107   2.934  1.1271 -2.4789 -2.1269
+   43THR   HG22  659   2.498   4.200   2.872  0.4668  1.9975 -2.0142
+   43THR   HG23  660   2.661   4.247   2.832 -0.9751  1.0675  1.8882
+   43THR      C  661   2.656   3.895   2.551  0.2684 -0.1853 -0.4958
+   43THR      O  662   2.657   3.945   2.436 -0.1017 -0.3924  0.8030
+   44ASN      N  663   2.611   3.773   2.578  0.2706 -0.5449  0.2753
+   44ASN     HN  664   2.620   3.737   2.670  0.3040 -0.0196  0.4759
+   44ASN     CA  665   2.549   3.692   2.475  0.2877  0.4338  0.7588
+   44ASN     HA  666   2.537   3.754   2.387 -1.5871  1.6396  1.8306
+   44ASN     CB  667   2.633   3.566   2.430 -0.5970 -0.1461 -0.4059
+   44ASN    HB1  668   2.582   3.497   2.361  1.2671 -2.5663  0.5482
+   44ASN    HB2  669   2.661   3.502   2.517  0.2326 -0.9885 -1.2860
+   44ASN     CG  670   2.761   3.611   2.353  0.7093 -0.5097  0.3977
+   44ASN    OD1  671   2.774   3.592   2.232 -0.0761  0.1005  0.0900
+   44ASN    ND2  672   2.861   3.657   2.424 -0.0736 -0.0450 -0.7962
+   44ASN   HD21  673   2.849   3.654   2.523 -0.2239 -1.0812 -0.8451
+   44ASN   HD22  674   2.948   3.678   2.378  0.4852 -0.5035  0.0538
+   44ASN      C  675   2.408   3.646   2.509 -0.2748  0.5062  0.4763
+   44ASN      O  676   2.376   3.569   2.595 -0.1070  0.1740 -0.1925
+   45ARG      N  677   2.305   3.690   2.435  0.4814  1.0090  0.8011
+   45ARG     HN  678   2.310   3.769   2.375  1.6866  0.1102 -0.3185
+   45ARG     CA  679   2.174   3.620   2.441 -0.3049 -0.2417  0.8370
+   45ARG     HA  680   2.136   3.628   2.542  1.4108 -1.0551  1.5567
+   45ARG     CB  681   2.067   3.690   2.347 -0.4475 -0.3028  0.6806
+   45ARG    HB1  682   2.103   3.702   2.243  3.3576  1.3089  2.0924
+   45ARG    HB2  683   2.081   3.796   2.375  3.8284 -0.6385  0.2176
+   45ARG     CG  684   1.920   3.650   2.348  0.0342 -0.2762  0.4652
+   45ARG    HG1  685   1.900   3.549   2.306 -1.3342 -0.7511  2.2008
+   45ARG    HG2  686   1.883   3.729   2.279  0.7172 -1.0484 -0.8009
+   45ARG     CD  687   1.854   3.647   2.484 -0.1221 -0.4673 -0.5357
+   45ARG    HD1  688   1.898   3.729   2.545 -0.2285  1.2876 -2.7803
+   45ARG    HD2  689   1.882   3.553   2.537  0.9139  0.7167  1.0843
+   45ARG     NE  690   1.711   3.679   2.473 -0.3478 -0.2114 -0.3570
+   45ARG     HE  691   1.675   3.771   2.457 -0.4904 -0.4156 -1.2346
+   45ARG     CZ  692   1.627   3.588   2.433  0.1226 -0.5669  0.0229
+   45ARG    NH1  693   1.657   3.460   2.413  0.3818 -0.2041 -0.3300
+   45ARG   HH11  694   1.750   3.428   2.432  0.6090 -0.0600 -1.1981
+   45ARG   HH12  695   1.600   3.399   2.358 -1.1685 -0.1111  1.1645
+   45ARG    NH2  696   1.502   3.626   2.404  0.1178  0.9673 -0.3605
+   45ARG   HH21  697   1.476   3.722   2.411 -0.5411  0.8394 -1.0399
+   45ARG   HH22  698   1.451   3.567   2.341  1.3821 -0.8478  0.2692
+   45ARG      C  699   2.183   3.470   2.393 -0.5632  0.1754  0.2635
+   45ARG      O  700   2.235   3.437   2.288  0.3303  0.1352 -0.2152
+   46ASN      N  701   2.127   3.384   2.481 -0.3522 -0.7240  0.3250
+   46ASN     HN  702   2.083   3.429   2.559  0.4789 -1.3081  1.1535
+   46ASN     CA  703   2.099   3.241   2.463 -0.1803 -0.4725  0.6765
+   46ASN     HA  704   2.162   3.206   2.383 -2.0503 -4.3997  0.8344
+   46ASN     CB  705   2.129   3.156   2.589  0.6695  0.8161  0.1616
+   46ASN    HB1  706   2.126   3.048   2.565  0.7631  0.9803 -0.6058
+   46ASN    HB2  707   2.070   3.193   2.676 -0.1370  3.0584 -1.3075
+   46ASN     CG  708   2.276   3.179   2.630 -0.0347 -0.3687  0.4942
+   46ASN    OD1  709   2.362   3.151   2.547  0.6330  0.4874 -0.5564
+   46ASN    ND2  710   2.303   3.233   2.747 -0.7781 -0.3105 -0.4159
+   46ASN   HD21  711   2.399   3.238   2.777 -1.2084  2.2273  0.7310
+   46ASN   HD22  712   2.229   3.262   2.809 -0.9083  1.5158 -1.4038
+   46ASN      C  713   1.953   3.210   2.421 -0.0314  0.3473 -0.2462
+   46ASN      O  714   1.866   3.297   2.429 -0.0241 -0.7590 -0.2805
+   47THR      N  715   1.921   3.094   2.377  0.2583  0.2126  0.2096
+   47THR     HN  716   1.985   3.018   2.367 -0.5028 -0.4501  0.3468
+   47THR     CA  717   1.797   3.071   2.313  0.3234 -0.3834  0.3806
+   47THR     HA  718   1.758   3.158   2.263  2.9967  1.2351  1.0620
+   47THR     CB  719   1.804   2.970   2.205  0.1367  0.5582 -0.8465
+   47THR     HB  720   1.707   2.939   2.161 -0.4627 -0.0475  0.8386
+   47THR    OG1  721   1.888   2.857   2.237 -0.0489  1.0083 -0.0921
+   47THR    HG1  722   1.839   2.810   2.305  1.2970 -0.1299  0.1385
+   47THR    CG2  723   1.877   3.030   2.083 -0.3546  0.6821  0.4003
+   47THR   HG21  724   1.987   3.031   2.094 -0.2174  2.9349 -0.9012
+   47THR   HG22  725   1.844   3.132   2.051 -0.4975  1.0485  1.6811
+   47THR   HG23  726   1.852   2.961   2.000  0.7564  1.0800 -0.2758
+   47THR      C  727   1.683   3.021   2.408  0.6384  0.3928 -0.1908
+   47THR      O  728   1.572   3.000   2.367 -0.2633  0.1388 -0.8001
+   48ASP      N  729   1.710   2.993   2.536  0.0508 -0.0676  0.4839
+   48ASP     HN  730   1.804   3.006   2.566 -0.2270 -1.2910  1.9606
+   48ASP     CA  731   1.619   2.975   2.649  0.0645  0.0135  0.5380
+   48ASP     HA  732   1.536   2.911   2.623 -1.5866  2.7628 -1.1255
+   48ASP     CB  733   1.697   2.896   2.760 -0.2252  0.0385 -0.1379
+   48ASP    HB1  734   1.717   2.789   2.738  2.0995 -0.0531  2.1112
+   48ASP    HB2  735   1.624   2.889   2.843 -0.6277 -1.4644 -0.6027
+   48ASP     CG  736   1.829   2.966   2.794 -0.0978  1.0677  0.0054
+   48ASP    OD1  737   1.851   3.080   2.758 -0.3609 -0.0037  0.0444
+   48ASP    OD2  738   1.908   2.902   2.865  0.5873  0.3238 -0.4761
+   48ASP      C  739   1.546   3.102   2.691 -0.5850 -0.6627  0.5665
+   48ASP      O  740   1.434   3.097   2.732 -0.1734  1.0062  0.2113
+   49GLY      N  741   1.613   3.217   2.682  0.8418  0.7982 -0.0411
+   49GLY     HN  742   1.702   3.216   2.638  0.5545  1.4460 -0.6646
+   49GLY     CA  743   1.571   3.342   2.739  0.2426  0.9319  0.7847
+   49GLY    HA1  744   1.480   3.341   2.797  0.6299  0.1493  1.3940
+   49GLY    HA2  745   1.571   3.421   2.665  1.6366 -0.1524 -0.4176
+   49GLY      C  746   1.672   3.400   2.838 -0.0048  1.0507  0.5780
+   49GLY      O  747   1.655   3.515   2.883 -0.1807  0.7016  0.1491
+   50SER      N  748   1.781   3.335   2.859 -0.2976  0.2339  0.1458
+   50SER     HN  749   1.814   3.248   2.823  1.1721  0.9537 -0.3237
+   50SER     CA  750   1.883   3.377   2.946  0.3282 -1.0761 -0.2975
+   50SER     HA  751   1.842   3.446   3.018 -0.4242 -1.7827 -0.0366
+   50SER     CB  752   1.956   3.256   3.019  0.0985 -0.3059 -0.6544
+   50SER    HB1  753   1.871   3.195   3.056  0.9607  0.5736  2.9857
+   50SER    HB2  754   2.021   3.283   3.104 -1.2945  1.8665 -0.2135
+   50SER     OG  755   2.029   3.175   2.928 -0.5447 -0.5646 -0.6967
+   50SER    HG1  756   1.974   3.127   2.866 -0.8227  2.6686 -3.0711
+   50SER      C  757   1.980   3.450   2.864 -0.2698  0.5197  0.5951
+   50SER      O  758   1.976   3.448   2.738  0.1026  0.7277  0.2051
+   51THR      N  759   2.073   3.515   2.938  0.0677  0.4993 -0.1548
+   51THR     HN  760   2.060   3.516   3.037  0.3377 -0.6552 -0.0944
+   51THR     CA  761   2.176   3.596   2.870 -0.2578  0.2211 -0.0943
+   51THR     HA  762   2.193   3.565   2.768  2.1513 -0.3971  0.4640
+   51THR     CB  763   2.133   3.743   2.866 -0.4456  0.6420  0.7860
+   51THR     HB  764   2.098   3.785   2.963 -0.9635  1.1458  0.3880
+   51THR    OG1  765   2.027   3.769   2.777 -0.3016  0.1390  0.0497
+   51THR    HG1  766   1.947   3.744   2.824 -1.3454 -0.0561 -1.7640
+   51THR    CG2  767   2.249   3.834   2.815  0.2436  0.1789  0.8614
+   51THR   HG21  768   2.293   3.791   2.723 -1.9406 -1.3619  0.4964
+   51THR   HG22  769   2.325   3.868   2.888  0.8324  2.3342 -0.7166
+   51THR   HG23  770   2.205   3.930   2.782 -0.4087  0.8182  3.4490
+   51THR      C  771   2.304   3.586   2.958 -0.3208 -0.1946  0.4876
+   51THR      O  772   2.297   3.573   3.079  0.7415 -0.2416 -0.0229
+   52ASP      N  773   2.419   3.578   2.892 -0.0880  0.4495 -0.0186
+   52ASP     HN  774   2.413   3.560   2.794 -0.1252 -1.6457  0.3415
+   52ASP     CA  775   2.547   3.574   2.956  0.3381  0.9222  0.2989
+   52ASP     HA  776   2.536   3.531   3.054 -2.9984 -0.0547 -0.4521
+   52ASP     CB  777   2.654   3.489   2.877  0.0446 -0.0075  0.6193
+   52ASP    HB1  778   2.749   3.486   2.934 -0.5578 -1.1131  1.5673
+   52ASP    HB2  779   2.680   3.541   2.782 -1.6469  0.2796  0.2903
+   52ASP     CG  780   2.617   3.345   2.853 -0.3532  0.1708 -0.1183
+   52ASP    OD1  781   2.531   3.290   2.922  0.3016 -0.1207 -0.5489
+   52ASP    OD2  782   2.686   3.277   2.766 -0.4103 -0.3873 -0.2937
+   52ASP      C  783   2.601   3.716   2.976 -0.3491  0.1652 -0.4241
+   52ASP      O  784   2.613   3.796   2.884  0.9001  0.0910  0.1365
+   53TYR      N  785   2.655   3.749   3.096  0.2363  0.0050  0.2047
+   53TYR     HN  786   2.631   3.679   3.163 -1.6522  2.5940  2.3438
+   53TYR     CA  787   2.707   3.873   3.133 -0.3989 -0.2883 -0.5116
+   53TYR     HA  788   2.700   3.945   3.053  1.3766  0.1903 -0.2757
+   53TYR     CB  789   2.628   3.940   3.244  0.0378  0.5661 -0.3377
+   53TYR    HB1  790   2.668   4.042   3.261  0.9841  0.2790 -0.8058
+   53TYR    HB2  791   2.607   3.879   3.335 -2.9473  1.7678 -0.1643
+   53TYR     CG  792   2.486   3.959   3.191  0.6429  0.5577 -0.1526
+   53TYR    CD1  793   2.454   4.086   3.131 -0.0858 -0.3626  0.1233
+   53TYR    HD1  794   2.537   4.153   3.112  0.4012 -1.4893 -1.8413
+   53TYR    CE1  795   2.319   4.113   3.091 -0.5761  0.3240 -0.0209
+   53TYR    HE1  796   2.297   4.209   3.047 -0.4955 -0.1960 -1.2016
+   53TYR     CZ  797   2.219   4.022   3.113 -0.3171  0.7017 -0.3285
+   53TYR     OH  798   2.081   4.045   3.092  0.5922  0.0736  0.4341
+   53TYR     HH  799   2.028   3.967   3.111 -1.0642  0.4711 -2.3020
+   53TYR    CD2  800   2.384   3.863   3.200 -0.1196 -0.5930 -0.0816
+   53TYR    HD2  801   2.397   3.763   3.240  1.4403  0.2649  1.6524
+   53TYR    CE2  802   2.253   3.897   3.168  0.4333 -0.3144 -0.0685
+   53TYR    HE2  803   2.178   3.821   3.182  0.2292 -0.8448 -3.6791
+   53TYR      C  804   2.855   3.876   3.175  0.1824 -0.3270 -0.0520
+   53TYR      O  805   2.904   3.796   3.259  0.0488 -0.2723  0.2604
+   54GLY      N  806   2.923   3.983   3.126  0.1115  0.0027 -0.1739
+   54GLY     HN  807   2.889   4.039   3.051  1.7489  1.2940  0.0256
+   54GLY     CA  808   3.052   4.033   3.178 -0.8405 -0.0877  0.4515
+   54GLY    HA1  809   3.053   4.026   3.285  1.6494 -0.9947  0.4159
+   54GLY    HA2  810   3.072   4.125   3.124 -1.2190 -0.1419  0.2147
+   54GLY      C  811   3.167   3.942   3.138 -0.0901 -0.9797 -0.9088
+   54GLY      O  812   3.158   3.861   3.049 -0.0759  0.3235 -0.3026
+   55ILE      N  813   3.282   3.957   3.202  0.0924  0.7173 -0.4014
+   55ILE     HN  814   3.286   4.012   3.284  1.9760  1.3998 -0.9208
+   55ILE     CA  815   3.412   3.893   3.157 -0.8131  0.1425 -0.0288
+   55ILE     HA  816   3.427   3.928   3.056 -2.3513 -0.1871 -0.3886
+   55ILE     CB  817   3.521   3.949   3.247  0.1043 -0.5438  1.0257
+   55ILE     HB  818   3.513   4.059   3.247  2.7153 -0.3159 -0.8858
+   55ILE    CG2  819   3.511   3.907   3.396  0.3701 -0.0899 -0.2248
+   55ILE   HG21  820   3.528   3.798   3.407 -0.9331 -0.1271  1.7573
+   55ILE   HG22  821   3.411   3.937   3.434 -0.3913 -0.2899 -2.0166
+   55ILE   HG23  822   3.591   3.955   3.457  1.1691 -0.2520 -1.1302
+   55ILE    CG1  823   3.666   3.920   3.184  0.1324 -0.2643  0.1618
+   55ILE   HG11  824   3.666   3.939   3.074 -0.6864 -0.6590  0.0861
+   55ILE   HG12  825   3.693   3.813   3.197 -0.6891 -0.3138  1.5992
+   55ILE     CD  826   3.778   4.011   3.242 -0.7953 -0.2470 -0.5256
+   55ILE    HD1  827   3.874   3.972   3.205 -0.4145 -0.2437  0.4461
+   55ILE    HD2  828   3.765   4.012   3.352  1.7647  1.9939 -0.1895
+   55ILE    HD3  829   3.769   4.113   3.197 -2.9735  0.9001  2.3674
+   55ILE      C  830   3.410   3.745   3.152  1.1212  0.0496  0.4979
+   55ILE      O  831   3.460   3.683   3.065 -0.4023 -0.3137  0.8203
+   56LEU      N  832   3.343   3.683   3.249  0.4372  0.6941  0.7844
+   56LEU     HN  833   3.307   3.735   3.326  0.8915  0.2466  1.3058
+   56LEU     CA  834   3.327   3.538   3.249 -0.5657  0.4062 -0.1409
+   56LEU     HA  835   3.386   3.495   3.169 -0.6556  0.5134 -0.2633
+   56LEU     CB  836   3.363   3.462   3.387 -0.0463  0.6608 -0.4759
+   56LEU    HB1  837   3.351   3.352   3.378  0.7085  0.4160  1.2533
+   56LEU    HB2  838   3.293   3.503   3.462  1.4938  0.2840  1.1964
+   56LEU     CG  839   3.509   3.496   3.441  0.1067 -0.1248  0.1730
+   56LEU     HG  840   3.515   3.605   3.459 -2.0124  0.0789 -0.2385
+   56LEU    CD1  841   3.528   3.427   3.575  0.3786 -0.8066  0.2652
+   56LEU   HD11  842   3.517   3.317   3.568  0.3813 -0.7160 -1.2508
+   56LEU   HD12  843   3.455   3.466   3.650  0.8548 -0.0491  0.3430
+   56LEU   HD13  844   3.628   3.459   3.611 -0.8942  1.6715  1.7616
+   56LEU    CD2  845   3.619   3.453   3.343  0.1870  0.5694 -0.3737
+   56LEU   HD21  846   3.606   3.517   3.253  1.1496  0.4815 -0.5784
+   56LEU   HD22  847   3.605   3.346   3.314  1.4862  0.9066 -2.3416
+   56LEU   HD23  848   3.724   3.475   3.369 -0.5237  1.8483  1.4792
+   56LEU      C  849   3.188   3.503   3.204 -0.2468  0.4640  0.0160
+   56LEU      O  850   3.142   3.394   3.239 -0.2778 -0.1149 -0.2568
+   57GLN      N  851   3.121   3.588   3.125 -0.4395 -0.4817  0.5421
+   57GLN     HN  852   3.164   3.672   3.093 -2.0856 -0.6599 -2.3346
+   57GLN     CA  853   2.997   3.536   3.066  0.0951  0.5849  0.1400
+   57GLN     HA  854   2.939   3.619   3.029  0.0568  0.0187 -1.0980
+   57GLN     CB  855   3.035   3.463   2.929 -0.4274  0.0839  0.1031
+   57GLN    HB1  856   2.959   3.392   2.890 -0.7955 -1.5051  3.5242
+   57GLN    HB2  857   3.123   3.396   2.943 -0.0822 -0.1165 -2.7333
+   57GLN     CG  858   3.082   3.564   2.822  0.3968 -0.3909  0.3621
+   57GLN    HG1  859   3.103   3.510   2.728 -0.5906 -0.1842  0.0233
+   57GLN    HG2  860   3.172   3.612   2.869  0.2158 -1.5006  1.8829
+   57GLN     CD  861   2.976   3.666   2.779 -0.1774  0.5811 -0.4594
+   57GLN    OE1  862   2.890   3.637   2.696 -0.8173  0.0207  0.2961
+   57GLN    NE2  863   2.989   3.792   2.821 -0.1647  0.2980  0.5556
+   57GLN   HE21  864   2.928   3.861   2.781  0.8812  1.2575  0.6092
+   57GLN   HE22  865   3.061   3.824   2.882 -0.2717  2.0636 -0.2271
+   57GLN      C  866   2.897   3.456   3.157 -0.4070 -0.7448  0.3632
+   57GLN      O  867   2.855   3.340   3.126 -0.1273  0.2293  0.2124
+   58ILE      N  868   2.856   3.518   3.266  0.3417  0.1640 -0.3028
+   58ILE     HN  869   2.869   3.615   3.286 -0.8714  0.1730  0.5113
+   58ILE     CA  870   2.781   3.452   3.367  0.6784 -0.0312  0.7057
+   58ILE     HA  871   2.807   3.348   3.379  1.0254  0.2218  2.4128
+   58ILE     CB  872   2.818   3.498   3.508 -1.0660 -1.0692  0.2289
+   58ILE     HB  873   2.805   3.607   3.524 -3.2298 -1.5014  1.6146
+   58ILE    CG2  874   2.717   3.439   3.604  0.1778 -0.3332  0.3780
+   58ILE   HG21  875   2.709   3.329   3.590  1.4620 -0.1552 -1.9808
+   58ILE   HG22  876   2.624   3.497   3.616 -0.6244 -1.6294  0.5034
+   58ILE   HG23  877   2.757   3.440   3.708 -0.2028 -1.8321  0.5503
+   58ILE    CG1  878   2.965   3.464   3.552 -0.1244 -0.0317 -0.7523
+   58ILE   HG11  879   3.027   3.513   3.473 -1.9797  0.9630 -1.6281
+   58ILE   HG12  880   2.983   3.355   3.556 -2.5954 -0.4946 -1.5662
+   58ILE     CD  881   3.013   3.516   3.686 -0.2310 -1.0232 -0.1849
+   58ILE    HD1  882   2.944   3.482   3.766 -1.8597  0.5681 -0.8836
+   58ILE    HD2  883   3.003   3.626   3.683 -0.2223 -1.0086  0.3730
+   58ILE    HD3  884   3.122   3.506   3.702 -0.4368 -0.6950  1.5316
+   58ILE      C  885   2.634   3.445   3.341 -0.1787 -0.3490 -0.0694
+   58ILE      O  886   2.577   3.550   3.313 -0.0762 -0.0286 -0.0616
+   59ASN      N  887   2.575   3.323   3.335 -0.3435 -0.7326  0.0408
+   59ASN     HN  888   2.608   3.233   3.360  0.8385 -0.3951 -0.2998
+   59ASN     CA  889   2.445   3.311   3.284  0.3114 -0.7032 -0.1593
+   59ASN     HA  890   2.445   3.374   3.196 -0.0345  1.0355  1.0614
+   59ASN     CB  891   2.434   3.165   3.247 -0.0781 -0.2408  1.3185
+   59ASN    HB1  892   2.423   3.109   3.342 -1.3322 -0.0479  1.2971
+   59ASN    HB2  893   2.519   3.133   3.182 -2.0050 -0.5677 -1.1233
+   59ASN     CG  894   2.303   3.132   3.171  0.1419 -0.1692  0.3528
+   59ASN    OD1  895   2.204   3.067   3.214  0.1422 -0.0624 -0.2178
+   59ASN    ND2  896   2.295   3.200   3.051  0.5498 -0.1070  0.4479
+   59ASN   HD21  897   2.375   3.246   3.013  0.2678  1.8983  2.1569
+   59ASN   HD22  898   2.209   3.197   3.001  0.6630 -1.1087  0.3097
+   59ASN      C  899   2.332   3.351   3.380 -0.5362  0.3235 -0.6104
+   59ASN      O  900   2.337   3.324   3.503 -0.2908 -0.2961 -0.1993
+   60SER      N  901   2.229   3.419   3.329 -0.2448  0.2556  0.6677
+   60SER     HN  902   2.243   3.458   3.238  0.8350 -1.2050  0.1989
+   60SER     CA  903   2.119   3.473   3.401 -0.3047 -0.0944 -0.0325
+   60SER     HA  904   2.163   3.508   3.493  0.2961  1.1190 -0.7714
+   60SER     CB  905   2.065   3.608   3.342 -0.0716 -0.0288  0.4155
+   60SER    HB1  906   2.145   3.685   3.338 -2.3621  2.3402 -1.9255
+   60SER    HB2  907   1.986   3.656   3.403  1.1603 -0.1262  2.1158
+   60SER     OG  908   2.011   3.592   3.209 -0.4060 -0.1264 -0.8539
+   60SER    HG1  909   1.957   3.669   3.192  0.1386  0.1112 -1.4970
+   60SER      C  910   2.007   3.382   3.446  0.2399 -0.3694 -0.2262
+   60SER      O  911   1.917   3.419   3.522  0.3051  0.0430  0.0261
+   61ARG      N  912   1.998   3.257   3.411 -0.5268  0.0289  0.2115
+   61ARG     HN  913   2.069   3.219   3.353 -0.5833 -1.1403  0.9127
+   61ARG     CA  914   1.899   3.163   3.465 -0.3905 -0.2225  0.3673
+   61ARG     HA  915   1.799   3.204   3.467 -0.1869  0.3863 -1.5628
+   61ARG     CB  916   1.884   3.042   3.362  0.0059 -0.4553 -1.0185
+   61ARG    HB1  917   1.985   2.995   3.359 -0.1275 -1.0585  2.0696
+   61ARG    HB2  918   1.862   3.076   3.259  2.6295  0.3409 -1.3495
+   61ARG     CG  919   1.780   2.931   3.412  0.3936  0.6545  0.6003
+   61ARG    HG1  920   1.682   2.980   3.429  0.1858  0.5142 -0.1546
+   61ARG    HG2  921   1.817   2.880   3.504  1.0677  0.2719  0.1189
+   61ARG     CD  922   1.759   2.828   3.304 -0.0077 -0.0935  0.2311
+   61ARG    HD1  923   1.856   2.791   3.264 -0.9705 -3.1410  0.5273
+   61ARG    HD2  924   1.703   2.874   3.220 -1.2636 -3.5260 -0.9215
+   61ARG     NE  925   1.669   2.711   3.346 -0.3067  1.0364 -0.7281
+   61ARG     HE  926   1.609   2.726   3.424  0.8509  2.2654 -0.0625
+   61ARG     CZ  927   1.718   2.585   3.337  0.4911 -0.4844  0.9483
+   61ARG    NH1  928   1.795   2.545   3.237 -0.1147 -0.3819 -0.1552
+   61ARG   HH11  929   1.792   2.602   3.154 -0.5400 -0.8571 -0.4693
+   61ARG   HH12  930   1.829   2.451   3.233 -1.1472 -0.9441  2.7794
+   61ARG    NH2  931   1.691   2.494   3.431 -0.6832 -0.4342 -0.0132
+   61ARG   HH21  932   1.709   2.396   3.419  1.1753 -0.2333  1.0021
+   61ARG   HH22  933   1.659   2.520   3.521  0.1409  0.8913 -0.0946
+   61ARG      C  934   1.947   3.103   3.594 -0.3412  0.2276  0.4462
+   61ARG      O  935   1.872   3.049   3.674 -0.0331  0.3334 -0.3091
+   62TRP      N  936   2.078   3.100   3.615 -0.8699 -0.1288  0.0118
+   62TRP     HN  937   2.140   3.147   3.554  1.2376 -1.2083  1.2464
+   62TRP     CA  938   2.145   3.033   3.721  0.0674 -0.9189 -0.3022
+   62TRP     HA  939   2.072   2.966   3.763 -1.2561  0.4150 -0.4525
+   62TRP     CB  940   2.264   2.948   3.658 -0.0804  0.6780 -0.2368
+   62TRP    HB1  941   2.320   2.919   3.749 -1.7416  2.4869  1.4065
+   62TRP    HB2  942   2.325   3.014   3.592 -0.8953  1.2325 -0.4452
+   62TRP     CG  943   2.220   2.836   3.577  0.0750 -0.9081 -0.0069
+   62TRP    CD1  944   2.227   2.829   3.438 -0.1706 -0.1469  0.0746
+   62TRP    HD1  945   2.297   2.886   3.379  0.0016  1.0629  1.4275
+   62TRP    NE1  946   2.151   2.722   3.400 -0.6461  0.0883  0.5584
+   62TRP    HE1  947   2.173   2.670   3.320 -0.5767 -0.0244  0.6512
+   62TRP    CE2  948   2.098   2.658   3.509 -0.2705 -0.3092 -0.3884
+   62TRP    CD2  949   2.141   2.725   3.625  0.6444 -0.2232 -0.2950
+   62TRP    CE3  950   2.089   2.674   3.752 -0.3383  0.4857 -0.2194
+   62TRP    HE3  951   2.104   2.720   3.848  2.5702 -2.3854  0.7839
+   62TRP    CZ3  952   2.002   2.560   3.755  0.5429  0.2582  0.1442
+   62TRP    HZ3  953   1.957   2.518   3.844 -1.8942  2.4759  0.0253
+   62TRP    CZ2  954   2.019   2.544   3.516 -0.1268 -0.9997 -0.0323
+   62TRP    HZ2  955   1.983   2.496   3.426  0.8447 -0.9305 -0.4641
+   62TRP    CH2  956   1.972   2.495   3.638  0.9886  0.2430  0.1371
+   62TRP    HH2  957   1.908   2.408   3.629  1.8410 -0.2464 -1.6473
+   62TRP      C  958   2.193   3.126   3.822  0.1709 -0.6782 -1.2816
+   62TRP      O  959   2.150   3.114   3.935  0.0275  0.6115 -0.3765
+   63TRP      N  960   2.290   3.213   3.789  0.0998 -0.1435  0.4287
+   63TRP     HN  961   2.315   3.224   3.693  0.5819 -1.5259  0.3780
+   63TRP     CA  962   2.377   3.273   3.890  0.3660 -0.0831  0.4049
+   63TRP     HA  963   2.377   3.213   3.979 -0.2446 -0.0594  0.4209
+   63TRP     CB  964   2.527   3.271   3.845 -0.2214 -0.1779  0.0910
+   63TRP    HB1  965   2.602   3.304   3.920  0.6718  0.3356 -1.0226
+   63TRP    HB2  966   2.523   3.331   3.751 -2.0307 -1.4900 -0.7081
+   63TRP     CG  967   2.556   3.130   3.817 -0.1079  0.1126 -0.4646
+   63TRP    CD1  968   2.568   3.069   3.692 -0.6349 -0.1150  0.7796
+   63TRP    HD1  969   2.565   3.135   3.606 -0.8907  0.5960  1.3370
+   63TRP    NE1  970   2.590   2.933   3.699 -0.6214  0.5531 -0.1115
+   63TRP    HE1  971   2.613   2.882   3.619  1.7233 -0.7709  1.3579
+   63TRP    CE2  972   2.614   2.903   3.832  0.5550 -0.0031 -0.7926
+   63TRP    CD2  973   2.585   3.023   3.910  0.4857 -0.6186 -0.5203
+   63TRP    CE3  974   2.601   3.023   4.049 -0.5491 -0.0293  0.2618
+   63TRP    HE3  975   2.581   3.115   4.102  0.9401  0.7511 -0.5081
+   63TRP    CZ3  976   2.639   2.908   4.114 -0.4417  0.1429 -0.4814
+   63TRP    HZ3  977   2.636   2.910   4.222  0.5269 -1.6206 -0.4007
+   63TRP    CZ2  978   2.656   2.782   3.898  0.6874  0.0320 -0.1628
+   63TRP    HZ2  979   2.675   2.691   3.842 -1.9243 -0.1081 -0.8954
+   63TRP    CH2  980   2.655   2.789   4.041  0.5528  0.2652 -0.8678
+   63TRP    HH2  981   2.691   2.697   4.084 -3.1305  0.6430  3.3597
+   63TRP      C  982   2.340   3.419   3.921 -0.4556  1.0399  0.1494
+   63TRP      O  983   2.371   3.471   4.029  0.4909  0.1777  0.7810
+   64CYS      N  984   2.261   3.486   3.837  0.2503 -0.8347  0.3975
+   64CYS     HN  985   2.231   3.446   3.751  1.4706 -1.9735  0.4989
+   64CYS     CA  986   2.214   3.630   3.864  0.5960  0.6815 -0.5089
+   64CYS     HA  987   2.218   3.645   3.970 -0.6755 -3.1018  0.1635
+   64CYS     CB  988   2.310   3.731   3.806  0.0457 -0.1729 -0.1285
+   64CYS    HB1  989   2.408   3.701   3.850  1.5750  0.9802 -2.6141
+   64CYS    HB2  990   2.291   3.832   3.846  1.9217  1.3462 -2.8924
+   64CYS     SG  991   2.324   3.731   3.624 -0.0161  0.2592 -0.5205
+   64CYS      C  992   2.074   3.654   3.818  0.5429  0.0105 -0.6709
+   64CYS      O  993   2.015   3.566   3.756 -0.7359 -0.0884  0.4535
+   65ASN      N  994   2.008   3.772   3.850 -0.0330 -0.6140  0.5700
+   65ASN     HN  995   2.063   3.837   3.903  1.6977 -0.9115 -0.7913
+   65ASN     CA  996   1.877   3.811   3.796 -0.5836  0.6240  0.1292
+   65ASN     HA  997   1.844   3.729   3.735  2.1603 -0.8218  0.4889
+   65ASN     CB  998   1.786   3.823   3.919 -0.7385 -0.0548  0.5484
+   65ASN    HB1  999   1.832   3.889   3.996  0.0914 -1.3127  1.1535
+   65ASN    HB2 1000   1.784   3.719   3.958 -1.3241  0.2028  1.2145
+   65ASN     CG 1001   1.650   3.871   3.889  0.4869 -1.1655 -0.2335
+   65ASN    OD1 1002   1.590   3.837   3.784 -0.4566 -0.0860  0.8372
+   65ASN    ND2 1003   1.600   3.968   3.964 -0.2643 -0.2938  0.6924
+   65ASN   HD21 1004   1.510   4.004   3.942 -0.7816 -2.0324 -0.1690
+   65ASN   HD22 1005   1.651   4.013   4.037 -0.2593 -0.0205  0.5211
+   65ASN      C 1006   1.882   3.937   3.705  0.0182  0.1907 -0.5343
+   65ASN      O 1007   1.920   4.047   3.750  0.1082  0.4989  0.2419
+   66ASP      N 1008   1.844   3.919   3.574 -0.1145 -0.2665 -0.0157
+   66ASP     HN 1009   1.833   3.832   3.528  0.4466 -1.0004  1.2092
+   66ASP     CA 1010   1.836   4.038   3.483  0.2769 -0.0827  0.0992
+   66ASP     HA 1011   1.891   4.121   3.524  0.1410 -0.6444  1.4442
+   66ASP     CB 1012   1.900   4.004   3.346 -0.7819  0.4216 -0.9207
+   66ASP    HB1 1013   2.007   3.977   3.359 -1.3238 -1.6162 -0.4536
+   66ASP    HB2 1014   1.889   4.087   3.273 -2.7198  1.2896  0.3140
+   66ASP     CG 1015   1.847   3.878   3.269 -0.3244 -0.6455  0.6030
+   66ASP    OD1 1016   1.747   3.815   3.311 -0.5659  0.5604  0.5028
+   66ASP    OD2 1017   1.913   3.841   3.168  0.2808 -0.1874  0.8318
+   66ASP      C 1018   1.689   4.085   3.477 -0.1731  0.7763 -0.4309
+   66ASP      O 1019   1.666   4.194   3.427  0.0589  0.0088 -0.1497
+   67GLY      N 1020   1.596   4.006   3.531  0.3130  0.0642 -0.1053
+   67GLY     HN 1021   1.620   3.922   3.580  2.0095  0.9137  0.5675
+   67GLY     CA 1022   1.459   4.054   3.542 -0.0914 -0.1255 -0.0664
+   67GLY    HA1 1023   1.465   4.161   3.547 -1.7493  0.0142 -0.8394
+   67GLY    HA2 1024   1.425   4.012   3.635  0.5201  0.9074  0.6278
+   67GLY      C 1025   1.365   4.007   3.425 -0.4309 -0.5229  0.2823
+   67GLY      O 1026   1.245   4.026   3.435 -0.2379  0.0980 -0.1383
+   68ARG      N 1027   1.422   3.940   3.330  1.1499 -0.7280  0.6747
+   68ARG     HN 1028   1.519   3.921   3.341  1.4095 -0.0638 -0.3632
+   68ARG     CA 1029   1.361   3.897   3.206  0.0785  0.5591 -0.5911
+   68ARG     HA 1030   1.255   3.915   3.218  0.1398  1.8290 -1.7766
+   68ARG     CB 1031   1.403   3.980   3.082 -0.0598 -0.0431 -0.2466
+   68ARG    HB1 1032   1.351   4.076   3.100  2.5307  1.0512  1.6973
+   68ARG    HB2 1033   1.356   3.940   2.989 -0.3682 -2.0594  0.7445
+   68ARG     CG 1034   1.554   4.003   3.059  0.0199  0.2414 -0.6448
+   68ARG    HG1 1035   1.613   3.915   3.092 -0.0271  1.1617  2.0261
+   68ARG    HG2 1036   1.587   4.088   3.123 -3.3828 -0.2993  1.9713
+   68ARG     CD 1037   1.590   4.036   2.916 -0.2559 -0.1084 -0.6044
+   68ARG    HD1 1038   1.688   4.088   2.908 -0.2549  0.1605  0.9379
+   68ARG    HD2 1039   1.520   4.112   2.875  0.7414  1.6572  0.8748
+   68ARG     NE 1040   1.597   3.910   2.837 -0.0568 -0.0991  0.4752
+   68ARG     HE 1041   1.680   3.855   2.852 -1.3159 -2.3812 -0.6331
+   68ARG     CZ 1042   1.509   3.855   2.763 -0.3029 -0.5376  0.7540
+   68ARG    NH1 1043   1.403   3.922   2.727 -0.2456  0.2565 -0.3471
+   68ARG   HH11 1044   1.339   3.880   2.662 -1.6366 -1.2755  1.9228
+   68ARG   HH12 1045   1.432   4.015   2.704  1.5688  0.1362  1.3051
+   68ARG    NH2 1046   1.514   3.726   2.744 -0.4817  0.1753 -0.4619
+   68ARG   HH21 1047   1.580   3.679   2.802  0.2052 -2.2543 -3.1157
+   68ARG   HH22 1048   1.424   3.686   2.723 -0.2923  0.4379 -1.8006
+   68ARG      C 1049   1.375   3.754   3.168  0.0457 -0.5434 -0.7647
+   68ARG      O 1050   1.321   3.715   3.066  0.6722  0.1020  0.0192
+   69THR      N 1051   1.445   3.676   3.245  0.4627 -0.2811  0.8632
+   69THR     HN 1052   1.473   3.708   3.335  1.9969  1.3023 -0.1297
+   69THR     CA 1053   1.488   3.540   3.215 -0.8493  0.3675  0.2801
+   69THR     HA 1054   1.492   3.530   3.107  1.2363 -0.8313  0.4518
+   69THR     CB 1055   1.628   3.504   3.264  0.3747 -0.6661 -0.2102
+   69THR     HB 1056   1.648   3.516   3.373 -1.2572  1.5433 -0.1176
+   69THR    OG1 1057   1.718   3.591   3.188  0.0254  0.3720 -0.6305
+   69THR    HG1 1058   1.712   3.681   3.222 -1.7781  0.7941 -2.0064
+   69THR    CG2 1059   1.675   3.360   3.221  1.0311  0.3568  0.1981
+   69THR   HG21 1060   1.653   3.339   3.115  0.5327 -2.8270  0.8967
+   69THR   HG22 1061   1.625   3.278   3.277 -1.7221 -0.3337 -3.1215
+   69THR   HG23 1062   1.785   3.361   3.237  0.9056 -1.0218  1.2118
+   69THR      C 1063   1.392   3.458   3.290 -0.4386  0.1803 -0.3491
+   69THR      O 1064   1.390   3.456   3.415 -0.1939 -0.5573 -0.0500
+   70PRO      N 1065   1.308   3.383   3.214 -0.0450 -0.0647  0.3282
+   70PRO     CD 1066   1.294   3.385   3.072  0.5694 -0.6588  0.3441
+   70PRO    HD1 1067   1.378   3.325   3.031 -0.5903 -1.7491 -0.4848
+   70PRO    HD2 1068   1.300   3.483   3.019 -0.3671 -0.2186  1.0608
+   70PRO     CA 1069   1.225   3.283   3.272  1.1571 -0.2188  0.3196
+   70PRO     HA 1070   1.154   3.337   3.332 -0.2043  0.2458 -1.6724
+   70PRO     CB 1071   1.162   3.203   3.154 -0.7563 -0.0195 -0.4905
+   70PRO    HB1 1072   1.063   3.164   3.186 -1.5080  1.8576 -0.4622
+   70PRO    HB2 1073   1.225   3.113   3.134 -0.5585  0.7113 -3.4848
+   70PRO     CG 1074   1.170   3.297   3.038 -0.1046  0.2586  0.2829
+   70PRO    HG1 1075   1.179   3.253   2.936 -0.4090  1.7688 -0.4111
+   70PRO    HG2 1076   1.090   3.375   3.040  0.9400  1.3638 -0.3666
+   70PRO      C 1077   1.298   3.185   3.369  0.2634  0.3574 -0.0393
+   70PRO      O 1078   1.393   3.125   3.328 -0.7685  0.7349 -0.0351
+   71GLY      N 1079   1.244   3.162   3.489 -0.4105  0.6427 -0.4967
+   71GLY     HN 1080   1.164   3.218   3.507  0.4687  2.5583 -2.3097
+   71GLY     CA 1081   1.305   3.065   3.582 -0.0786 -0.5056  0.0032
+   71GLY    HA1 1082   1.305   2.966   3.539  0.2849 -0.3950 -0.2519
+   71GLY    HA2 1083   1.248   3.068   3.674  1.9677  1.6199  1.2712
+   71GLY      C 1084   1.448   3.091   3.629  0.5711  0.3470 -0.5774
+   71GLY      O 1085   1.525   2.993   3.652  0.5212 -0.2737  0.3890
+   72SER      N 1086   1.488   3.219   3.647  0.1231 -0.1133 -0.4658
+   72SER     HN 1087   1.431   3.297   3.625  0.2856  0.6751  1.8842
+   72SER     CA 1088   1.610   3.242   3.721 -0.2133 -0.4351 -0.8779
+   72SER     HA 1089   1.696   3.194   3.676  1.7614  0.4642  1.8099
+   72SER     CB 1090   1.659   3.394   3.721  0.3151 -0.0765  0.3655
+   72SER    HB1 1091   1.581   3.452   3.774 -0.5880 -1.6285  0.7511
+   72SER    HB2 1092   1.662   3.421   3.613 -0.9952  1.8710  0.7814
+   72SER     OG 1093   1.783   3.403   3.788  0.2022 -0.1261  0.5458
+   72SER    HG1 1094   1.846   3.429   3.720 -2.3073  2.5975 -0.8722
+   72SER      C 1095   1.606   3.189   3.861 -0.4462 -0.1493  0.6464
+   72SER      O 1096   1.510   3.208   3.937  0.0966  0.2659  0.2341
+   73ARG      N 1097   1.712   3.124   3.905 -0.1013 -0.6089  0.0370
+   73ARG     HN 1098   1.779   3.116   3.832 -0.7980  0.0387 -0.6835
+   73ARG     CA 1099   1.745   3.068   4.035 -0.2619 -0.5480  0.0298
+   73ARG     HA 1100   1.655   3.049   4.093  2.0639 -3.0017  3.0315
+   73ARG     CB 1101   1.815   2.928   4.022 -0.4373 -1.1765  0.9384
+   73ARG    HB1 1102   1.857   2.913   4.123 -0.9839  1.2688  1.5541
+   73ARG    HB2 1103   1.893   2.948   3.946 -2.2030  1.8835 -0.1572
+   73ARG     CG 1104   1.728   2.817   3.975 -0.3626 -0.5730  0.3885
+   73ARG    HG1 1105   1.785   2.722   3.979 -1.9746 -1.4987  3.2087
+   73ARG    HG2 1106   1.680   2.836   3.877  0.0560  3.5758  0.8791
+   73ARG     CD 1107   1.603   2.791   4.061  0.2688  0.3628 -0.0412
+   73ARG    HD1 1108   1.533   2.870   4.027  0.0637  0.3168  0.2691
+   73ARG    HD2 1109   1.630   2.807   4.168  1.2150 -0.2982 -0.1691
+   73ARG     NE 1110   1.553   2.651   4.036 -0.3333  0.8149  0.6729
+   73ARG     HE 1111   1.609   2.570   4.052 -0.8365 -0.2910 -2.7372
+   73ARG     CZ 1112   1.426   2.620   4.019 -1.0449 -0.0451  0.5535
+   73ARG    NH1 1113   1.337   2.706   3.989 -0.1357 -0.4913  0.3068
+   73ARG   HH11 1114   1.349   2.805   4.002 -0.1063 -0.5951  1.1261
+   73ARG   HH12 1115   1.243   2.679   3.969 -0.2520  0.9858 -1.2322
+   73ARG    NH2 1116   1.402   2.493   4.019  0.4484 -0.2964 -0.1538
+   73ARG   HH21 1117   1.307   2.462   4.022  0.2900 -0.1763 -2.5467
+   73ARG   HH22 1118   1.478   2.428   4.013 -1.0513 -2.0804  0.1199
+   73ARG      C 1119   1.832   3.161   4.108  0.5766 -0.1669  0.1287
+   73ARG      O 1120   1.868   3.134   4.225  0.0474 -0.7403  0.0685
+   74ASN      N 1121   1.875   3.270   4.046  0.0970 -0.5745  0.0809
+   74ASN     HN 1122   1.832   3.284   3.957  0.8708  0.4403 -0.1322
+   74ASN     CA 1123   1.962   3.376   4.096 -0.7579  0.1364  0.1404
+   74ASN     HA 1124   2.020   3.405   4.010 -0.0526  2.8558  1.4818
+   74ASN     CB 1125   1.879   3.500   4.127 -0.2562  0.1449 -0.0637
+   74ASN    HB1 1126   1.806   3.458   4.199  1.2851 -0.7516  1.0003
+   74ASN    HB2 1127   1.820   3.525   4.036  0.1052 -0.6115 -0.5080
+   74ASN     CG 1128   1.952   3.624   4.177 -0.1584  0.4252 -0.1330
+   74ASN    OD1 1129   2.058   3.659   4.129  0.4073 -0.1366  0.5269
+   74ASN    ND2 1130   1.884   3.687   4.275 -0.1668  0.5571 -0.2543
+   74ASN   HD21 1131   1.911   3.781   4.296 -1.6665  0.8923  0.1771
+   74ASN   HD22 1132   1.801   3.651   4.317  0.9105 -0.0973  1.4212
+   74ASN      C 1133   2.064   3.343   4.213 -0.3583 -0.3373  0.8770
+   74ASN      O 1134   2.053   3.395   4.326 -0.1974  0.2805 -0.1117
+   75LEU      N 1135   2.157   3.242   4.194 -0.1558 -0.1700 -0.2469
+   75LEU     HN 1136   2.165   3.191   4.108  1.2896 -2.5683  1.2683
+   75LEU     CA 1137   2.238   3.184   4.301  0.4731  0.2735  0.5912
+   75LEU     HA 1138   2.160   3.161   4.371  0.1804  2.1831  0.9141
+   75LEU     CB 1139   2.295   3.048   4.261  0.0536  0.6906  0.2471
+   75LEU    HB1 1140   2.365   3.019   4.343 -0.0276 -0.9439 -0.2457
+   75LEU    HB2 1141   2.358   3.070   4.173  0.1971  1.6445  0.5789
+   75LEU     CG 1142   2.197   2.937   4.225 -0.0640  0.9506 -0.5316
+   75LEU     HG 1143   2.144   2.965   4.132  0.9227 -0.3235 -1.4887
+   75LEU    CD1 1144   2.274   2.807   4.182  0.1841  0.6367  0.0300
+   75LEU   HD11 1145   2.341   2.781   4.266 -1.6732 -4.7484  0.0860
+   75LEU   HD12 1146   2.327   2.820   4.085  2.0103 -1.4897  0.7093
+   75LEU   HD13 1147   2.210   2.717   4.171  0.5881  0.4463 -0.8511
+   75LEU    CD2 1148   2.100   2.901   4.342  0.8541  0.0866  0.3254
+   75LEU   HD21 1149   2.033   2.989   4.355  1.2909  0.3536  0.8000
+   75LEU   HD22 1150   2.150   2.897   4.441  1.9302  0.6700 -0.1889
+   75LEU   HD23 1151   2.045   2.806   4.323  2.3096 -0.4489 -1.3076
+   75LEU      C 1152   2.333   3.280   4.369 -0.2302 -0.1437 -0.0814
+   75LEU      O 1153   2.357   3.272   4.485  0.2839  0.6169 -0.8103
+   76CYS      N 1154   2.401   3.374   4.299 -0.4892 -0.6810 -0.3229
+   76CYS     HN 1155   2.396   3.368   4.200 -0.8979  0.5501 -0.3763
+   76CYS     CA 1156   2.511   3.454   4.353  0.4226  0.2779  0.3778
+   76CYS     HA 1157   2.570   3.402   4.427 -0.5246  0.4445  1.2616
+   76CYS     CB 1158   2.604   3.518   4.244 -0.0693  0.1661 -0.1043
+   76CYS    HB1 1159   2.682   3.578   4.295 -0.8957  0.3792  0.9183
+   76CYS    HB2 1160   2.548   3.582   4.172 -2.8983 -0.5040  1.4346
+   76CYS     SG 1161   2.699   3.394   4.160 -0.3930 -0.4862  0.2132
+   76CYS      C 1162   2.446   3.566   4.429  0.1852  0.1285  0.8726
+   76CYS      O 1163   2.502   3.616   4.525  0.1203 -0.4672 -0.5548
+   77ASN      N 1164   2.318   3.596   4.410 -0.6484 -0.2301  0.2465
+   77ASN     HN 1165   2.269   3.542   4.342  0.6792  0.7557 -1.5232
+   77ASN     CA 1166   2.232   3.687   4.481  0.1393 -0.3606  0.1431
+   77ASN     HA 1167   2.129   3.665   4.458  0.8167 -0.3827 -3.0934
+   77ASN     CB 1168   2.243   3.663   4.642  0.7274 -0.5182 -0.4950
+   77ASN    HB1 1169   2.344   3.689   4.679  0.0164  0.4078  0.8420
+   77ASN    HB2 1170   2.248   3.554   4.663 -0.0046 -0.3273  0.7433
+   77ASN     CG 1171   2.140   3.740   4.729 -0.9874  0.5119  1.2086
+   77ASN    OD1 1172   2.045   3.789   4.669 -0.0876 -0.5706 -0.1778
+   77ASN    ND2 1173   2.166   3.758   4.865  0.1092  0.4177  0.5444
+   77ASN   HD21 1174   2.086   3.797   4.911  1.0626  0.3446  2.3093
+   77ASN   HD22 1175   2.248   3.714   4.900  0.6606  0.7245 -0.3491
+   77ASN      C 1176   2.268   3.827   4.431  0.6194 -0.2247  0.0068
+   77ASN      O 1177   2.284   3.924   4.511 -0.2160 -0.1795 -0.3886
+   78ILE      N 1178   2.278   3.845   4.298  0.2783 -0.4420  0.6869
+   78ILE     HN 1179   2.271   3.757   4.250 -1.9388  0.5487 -0.8852
+   78ILE     CA 1180   2.317   3.972   4.245  0.8873 -0.9467  0.1615
+   78ILE     HA 1181   2.301   4.048   4.320  1.1866  0.0607 -0.7889
+   78ILE     CB 1182   2.468   3.990   4.212 -0.3898 -0.2029 -0.3025
+   78ILE     HB 1183   2.477   4.097   4.184  1.3451 -0.6840 -1.6475
+   78ILE    CG2 1184   2.559   3.963   4.336 -0.6652  0.4006 -0.4699
+   78ILE   HG21 1185   2.666   3.964   4.306 -1.0757  0.1252 -2.0183
+   78ILE   HG22 1186   2.541   3.859   4.368 -0.8587  0.8445  0.8758
+   78ILE   HG23 1187   2.542   4.037   4.417 -0.7000  0.6271 -0.6805
+   78ILE    CG1 1188   2.520   3.897   4.096  0.2685 -0.0247  0.3368
+   78ILE   HG11 1189   2.467   3.936   4.006  0.4671  0.1522  0.2973
+   78ILE   HG12 1190   2.485   3.791   4.106  2.2434 -0.8690 -1.3145
+   78ILE     CD 1191   2.673   3.893   4.064  0.1615 -0.0508 -0.6825
+   78ILE    HD1 1192   2.715   3.995   4.054  1.9503 -0.7837 -0.9081
+   78ILE    HD2 1193   2.685   3.833   3.970 -0.1167 -0.7952 -0.2468
+   78ILE    HD3 1194   2.730   3.843   4.145 -1.5263  0.0699  0.5855
+   78ILE      C 1195   2.226   4.003   4.124  0.1456  0.1984  0.5953
+   78ILE      O 1196   2.195   3.912   4.045 -0.4456  0.5319  0.5371
+   79PRO      N 1197   2.182   4.128   4.101  0.2484 -0.1027  0.1443
+   79PRO     CD 1198   2.189   4.240   4.193 -0.5981 -0.4103  0.0499
+   79PRO    HD1 1199   2.296   4.263   4.208 -0.6333  0.2218 -0.6148
+   79PRO    HD2 1200   2.156   4.211   4.295  2.7028 -2.0072  0.7172
+   79PRO     CA 1201   2.153   4.178   3.967  0.4474 -0.0470 -0.3911
+   79PRO     HA 1202   2.067   4.128   3.924 -0.1818  1.4221 -0.8738
+   79PRO     CB 1203   2.136   4.340   3.989  0.1514  0.1879  0.3296
+   79PRO    HB1 1204   2.057   4.384   3.924 -0.1021 -0.6535  0.0610
+   79PRO    HB2 1205   2.237   4.383   3.971 -0.2673 -0.1049 -3.2085
+   79PRO     CG 1206   2.101   4.350   4.132 -0.0852  0.3736 -0.1391
+   79PRO    HG1 1207   2.127   4.446   4.181  0.1264  0.8297 -1.1372
+   79PRO    HG2 1208   1.994   4.325   4.148  0.4328 -0.5725  2.0691
+   79PRO      C 1209   2.260   4.149   3.866  0.0572 -0.7116  0.1669
+   79PRO      O 1210   2.379   4.174   3.884  0.6449  0.7537 -0.8197
+   80CYS      N 1211   2.220   4.104   3.747  0.2923  0.1890  0.2574
+   80CYS     HN 1212   2.125   4.078   3.739  0.9908 -2.6437  0.8426
+   80CYS     CA 1213   2.310   4.074   3.636 -0.1016 -0.0288  0.4654
+   80CYS     HA 1214   2.384   4.006   3.676 -0.9428  0.3273  2.7037
+   80CYS     CB 1215   2.232   4.003   3.523  0.5528  0.0700  0.3837
+   80CYS    HB1 1216   2.291   3.987   3.431 -0.3033 -1.7640  0.1304
+   80CYS    HB2 1217   2.157   4.079   3.490  2.8573  1.8675 -0.8155
+   80CYS     SG 1218   2.167   3.837   3.567  0.5064  0.1920 -0.4866
+   80CYS      C 1219   2.371   4.200   3.582 -0.6687 -0.2900  0.6458
+   80CYS      O 1220   2.487   4.211   3.545 -0.7397  0.4015  0.1128
+   81SER      N 1221   2.290   4.321   3.596 -1.0588 -1.0258  0.0254
+   81SER     HN 1222   2.196   4.320   3.627 -0.2930  1.1205  2.5841
+   81SER     CA 1223   2.352   4.455   3.590  0.1442 -0.5708 -0.4956
+   81SER     HA 1224   2.383   4.471   3.488 -1.2729  0.8307 -0.7173
+   81SER     CB 1225   2.248   4.569   3.624 -0.0789  0.0958 -0.5582
+   81SER    HB1 1226   2.175   4.576   3.541 -1.3622  0.3104  0.5544
+   81SER    HB2 1227   2.301   4.667   3.624 -1.2774  0.7605 -1.5373
+   81SER     OG 1228   2.191   4.555   3.756 -0.5155 -0.1411 -0.1571
+   81SER    HG1 1229   2.243   4.607   3.817 -0.7532  0.7152 -0.6732
+   81SER      C 1230   2.480   4.481   3.669  0.1948 -0.0253  0.5774
+   81SER      O 1231   2.569   4.553   3.617 -0.3377  0.7910 -0.3638
+   82ALA      N 1232   2.503   4.421   3.788  0.6876 -0.1116 -0.6595
+   82ALA     HN 1233   2.440   4.362   3.837  0.5558  0.7201  0.1851
+   82ALA     CA 1234   2.625   4.442   3.861 -0.5515 -0.2141 -0.5217
+   82ALA     HA 1235   2.631   4.550   3.866 -2.1151 -0.1269 -0.2875
+   82ALA     CB 1236   2.621   4.383   4.009  0.2068  0.5276 -0.2867
+   82ALA    HB1 1237   2.622   4.272   4.007  2.5844  0.5454 -2.9558
+   82ALA    HB2 1238   2.530   4.417   4.063  0.1415  0.3540 -0.2878
+   82ALA    HB3 1239   2.703   4.418   4.075  0.1309  0.8252 -0.3515
+   82ALA      C 1240   2.751   4.398   3.788 -0.5466 -0.0265 -0.0307
+   82ALA      O 1241   2.859   4.458   3.795 -0.3049  0.9771 -0.0537
+   83LEU      N 1242   2.737   4.295   3.708 -0.2045 -0.7806  0.3943
+   83LEU     HN 1243   2.644   4.264   3.690 -0.0497 -0.7663 -0.4469
+   83LEU     CA 1244   2.846   4.229   3.641 -0.3053  0.3595 -0.6924
+   83LEU     HA 1245   2.919   4.203   3.716  0.0231 -0.6383 -1.3539
+   83LEU     CB 1246   2.789   4.098   3.582 -0.7889 -0.7812 -0.0546
+   83LEU    HB1 1247   2.863   4.058   3.510 -0.3087 -1.8073  0.9786
+   83LEU    HB2 1248   2.713   4.133   3.510  1.1553 -0.4622 -1.9993
+   83LEU     CG 1249   2.739   4.000   3.680 -0.5463 -0.1034 -0.5787
+   83LEU     HG 1250   2.687   4.047   3.767  1.4277  0.2191  0.4464
+   83LEU    CD1 1251   2.646   3.900   3.616 -0.0472  0.6101 -0.0076
+   83LEU   HD11 1252   2.567   3.952   3.559 -0.7575 -0.7676 -0.3128
+   83LEU   HD12 1253   2.584   3.841   3.687  0.2052 -1.8250 -1.7347
+   83LEU   HD13 1254   2.701   3.841   3.539 -1.0513  1.7540 -1.6472
+   83LEU    CD2 1255   2.861   3.925   3.729  0.3893 -0.4975  0.2645
+   83LEU   HD21 1256   2.923   3.997   3.787  2.5683 -0.9100 -1.4872
+   83LEU   HD22 1257   2.923   3.876   3.651  0.6952 -1.2326  0.9548
+   83LEU   HD23 1258   2.838   3.847   3.805 -0.5471  0.2163  0.7207
+   83LEU      C 1259   2.900   4.317   3.529  0.1618 -0.0742  0.0349
+   83LEU      O 1260   3.001   4.284   3.473  0.3234 -0.1405  0.1790
+   84LEU      N 1261   2.834   4.428   3.492 -0.3784 -0.4768 -0.6327
+   84LEU     HN 1262   2.748   4.462   3.529  0.0397  0.3190 -0.3848
+   84LEU     CA 1263   2.877   4.514   3.379 -0.5532  0.0342 -0.1849
+   84LEU     HA 1264   2.921   4.447   3.305 -1.0027  0.1349 -0.5439
+   84LEU     CB 1265   2.757   4.593   3.307  0.5733  0.2224 -0.2841
+   84LEU    HB1 1266   2.807   4.651   3.227  1.6314 -0.7374 -0.3404
+   84LEU    HB2 1267   2.709   4.654   3.386 -0.6752  0.7525 -1.4398
+   84LEU     CG 1268   2.650   4.509   3.236 -0.5882  0.5006  0.3816
+   84LEU     HG 1269   2.634   4.411   3.287  0.0209 -0.1053 -0.5849
+   84LEU    CD1 1270   2.511   4.570   3.233  0.6217 -0.1230 -0.1302
+   84LEU   HD11 1271   2.519   4.674   3.196  2.0748  0.0944  0.7539
+   84LEU   HD12 1272   2.461   4.574   3.332 -1.3719 -1.3250 -1.0528
+   84LEU   HD13 1273   2.448   4.508   3.165  2.2550  0.4746 -2.2671
+   84LEU    CD2 1274   2.699   4.473   3.092 -0.7639 -1.2444 -0.4473
+   84LEU   HD21 1275   2.633   4.397   3.044  0.0175 -2.4099  0.3014
+   84LEU   HD22 1276   2.805   4.440   3.096  0.7593  3.1911 -0.8362
+   84LEU   HD23 1277   2.687   4.569   3.037 -0.3342 -1.4596 -0.9192
+   84LEU      C 1278   2.990   4.602   3.418 -0.2253  0.1588  0.3704
+   84LEU      O 1279   3.075   4.644   3.330  0.5114  0.0942 -0.3408
+   85SER      N 1280   2.999   4.638   3.544  0.5801  0.4431  0.1428
+   85SER     HN 1281   2.928   4.600   3.603  1.1287  0.4688  0.8285
+   85SER     CA 1282   3.106   4.710   3.614 -0.2864 -0.2281 -0.4677
+   85SER     HA 1283   3.073   4.811   3.631  1.1946  0.1565  0.2401
+   85SER     CB 1284   3.105   4.667   3.769 -0.4076  0.2130  0.2190
+   85SER    HB1 1285   3.093   4.556   3.768 -0.0463  0.1555  1.7185
+   85SER    HB2 1286   3.018   4.706   3.825  0.2639  1.7167  0.2288
+   85SER     OG 1287   3.225   4.715   3.837  0.3766  0.1461 -0.1102
+   85SER    HG1 1288   3.291   4.645   3.833  1.8425  1.3398  1.8600
+   85SER      C 1289   3.248   4.707   3.554  0.2207  0.8741  0.1884
+   85SER      O 1290   3.291   4.607   3.504  0.0508  1.4650 -0.3310
+   86SER      N 1291   3.325   4.816   3.550  0.3472 -0.2401 -0.3475
+   86SER     HN 1292   3.279   4.902   3.568  0.9211 -0.0603  0.2500
+   86SER     CA 1293   3.471   4.819   3.519 -0.1363 -0.0335 -0.1253
+   86SER     HA 1294   3.480   4.767   3.425  1.2701 -3.3969  1.8004
+   86SER     CB 1295   3.527   4.965   3.488 -0.9358  0.1459 -0.6610
+   86SER    HB1 1296   3.632   4.948   3.456 -1.5108 -3.0796 -1.0599
+   86SER    HB2 1297   3.517   5.029   3.578  2.8934 -0.2573  0.1161
+   86SER     OG 1298   3.450   5.037   3.389 -0.0207 -0.0833 -0.0255
+   86SER    HG1 1299   3.368   5.071   3.426 -0.8766  2.0989 -3.6189
+   86SER      C 1300   3.560   4.751   3.614  0.1649  0.6114 -0.0599
+   86SER      O 1301   3.674   4.724   3.584  0.5660 -0.6563 -0.9010
+   87ASP      N 1302   3.526   4.741   3.740 -0.5237 -0.0420 -0.1138
+   87ASP     HN 1303   3.436   4.781   3.754 -0.2035  0.1350  1.4453
+   87ASP     CA 1304   3.583   4.660   3.844 -0.4890 -0.2191 -0.0323
+   87ASP     HA 1305   3.684   4.633   3.818  1.8789  5.0594  2.9299
+   87ASP     CB 1306   3.577   4.734   3.987  0.0777  0.2936 -0.0319
+   87ASP    HB1 1307   3.468   4.749   3.997 -0.1892 -0.5744 -1.5505
+   87ASP    HB2 1308   3.633   4.830   3.991  0.1269  0.3512 -1.7213
+   87ASP     CG 1309   3.617   4.659   4.110  0.0004  0.4118  0.0965
+   87ASP    OD1 1310   3.613   4.708   4.226 -0.1523 -0.1025  0.2655
+   87ASP    OD2 1311   3.681   4.555   4.086  0.0636 -1.0115 -0.5405
+   87ASP      C 1312   3.528   4.520   3.840 -0.0728  0.5917  0.3477
+   87ASP      O 1313   3.406   4.513   3.819 -0.0453 -0.1964  0.3512
+   88ILE      N 1314   3.611   4.411   3.839 -0.4358 -0.1054  0.0896
+   88ILE     HN 1315   3.708   4.417   3.864 -0.3597 -0.8124 -0.0280
+   88ILE     CA 1316   3.552   4.275   3.813 -0.3828 -0.4748 -0.7227
+   88ILE     HA 1317   3.456   4.284   3.766  0.4790 -2.4772 -2.9715
+   88ILE     CB 1318   3.652   4.181   3.732  0.1991  0.2058 -0.3582
+   88ILE     HB 1319   3.608   4.081   3.714 -1.3762  0.1882  3.2355
+   88ILE    CG2 1320   3.667   4.228   3.581 -1.0203  0.3121 -0.2665
+   88ILE   HG21 1321   3.735   4.316   3.576 -0.2843 -0.2422 -0.2205
+   88ILE   HG22 1322   3.570   4.244   3.530 -1.3264  1.3083  0.6100
+   88ILE   HG23 1323   3.719   4.145   3.527  2.5485  1.8507  0.6248
+   88ILE    CG1 1324   3.793   4.174   3.793  0.3349  0.6946  0.2496
+   88ILE   HG11 1325   3.784   4.158   3.903 -0.0768 -0.7962  0.0142
+   88ILE   HG12 1326   3.855   4.265   3.784 -0.3630  1.2152  0.5941
+   88ILE     CD 1327   3.877   4.059   3.750 -0.2860 -0.3915 -0.2461
+   88ILE    HD1 1328   3.961   4.047   3.821 -0.2262  0.2086 -0.2166
+   88ILE    HD2 1329   3.924   4.085   3.653 -0.5449  2.1581  0.2797
+   88ILE    HD3 1330   3.815   3.968   3.734  1.2329 -1.6558  0.9599
+   88ILE      C 1331   3.529   4.196   3.945 -0.3032 -0.7423  0.6306
+   88ILE      O 1332   3.512   4.074   3.939  0.5966 -0.0978 -0.1507
+   89THR      N 1333   3.537   4.275   4.057  0.4184  0.0022 -0.2304
+   89THR     HN 1334   3.576   4.366   4.044 -0.8505  0.4940 -0.6277
+   89THR     CA 1335   3.518   4.242   4.198  0.0046  0.1456  0.3907
+   89THR     HA 1336   3.595   4.170   4.223  0.0689  1.2645  3.7344
+   89THR     CB 1337   3.516   4.360   4.297 -0.2314  0.1702 -0.0159
+   89THR     HB 1338   3.473   4.446   4.241  1.1085  0.1248 -1.1526
+   89THR    OG1 1339   3.649   4.403   4.317  0.2009 -0.1519 -0.3145
+   89THR    HG1 1340   3.656   4.469   4.247 -0.1179 -4.0095 -4.2023
+   89THR    CG2 1341   3.466   4.316   4.439 -0.0005 -0.4399  0.0248
+   89THR   HG21 1342   3.536   4.246   4.488 -0.3119 -0.7426  0.0457
+   89THR   HG22 1343   3.361   4.278   4.432  0.1909 -0.9994  0.1886
+   89THR   HG23 1344   3.457   4.406   4.504  0.2973  0.0440 -0.5974
+   89THR      C 1345   3.390   4.160   4.213 -0.4920 -0.5111  0.0718
+   89THR      O 1346   3.387   4.048   4.266 -0.5623  0.3057 -0.2599
+   90ALA      N 1347   3.270   4.200   4.166 -0.3469 -0.8404  0.1035
+   90ALA     HN 1348   3.249   4.286   4.121 -0.3154 -2.0497 -2.2561
+   90ALA     CA 1349   3.146   4.120   4.174  0.0167  0.3877  0.6721
+   90ALA     HA 1350   3.129   4.085   4.275 -3.2795 -0.7938 -0.2148
+   90ALA     CB 1351   3.019   4.202   4.143  0.3175 -0.4685 -0.1891
+   90ALA    HB1 1352   3.012   4.297   4.200 -0.5135  1.4221 -3.3487
+   90ALA    HB2 1353   2.927   4.139   4.145 -0.9462  1.2654 -1.8530
+   90ALA    HB3 1354   3.025   4.229   4.036 -0.6355  1.5472  0.2439
+   90ALA      C 1355   3.153   3.995   4.082  0.4678  0.7204 -0.7090
+   90ALA      O 1356   3.112   3.883   4.120  0.0838 -0.0228 -0.3863
+   91SER      N 1357   3.212   3.998   3.961 -0.0186  0.0724 -0.6281
+   91SER     HN 1358   3.251   4.083   3.926  2.8787 -0.5892  0.8093
+   91SER     CA 1359   3.217   3.880   3.878 -0.5050 -0.2953  0.1192
+   91SER     HA 1360   3.117   3.842   3.859  0.4616 -2.8754 -0.0387
+   91SER     CB 1361   3.281   3.915   3.741 -0.2627  0.1668  0.2441
+   91SER    HB1 1362   3.299   3.824   3.680 -1.2238  0.3022 -0.2467
+   91SER    HB2 1363   3.380   3.966   3.743 -0.5201  0.8397 -2.3309
+   91SER     OG 1364   3.193   3.999   3.668  0.0370  0.0665 -0.3599
+   91SER    HG1 1365   3.205   4.082   3.713  0.1615 -0.5542  0.7669
+   91SER      C 1366   3.304   3.775   3.939  0.3437  0.6415  0.2103
+   91SER      O 1367   3.276   3.654   3.925 -0.4864 -0.4296 -0.7172
+   92VAL      N 1368   3.412   3.817   4.008 -0.2786  0.4435  0.0018
+   92VAL     HN 1369   3.448   3.909   3.994  0.3666 -0.0661 -1.7840
+   92VAL     CA 1370   3.498   3.726   4.078  0.2002 -0.0797  0.3757
+   92VAL     HA 1371   3.519   3.645   4.010 -2.4393 -0.7322  0.2757
+   92VAL     CB 1372   3.634   3.786   4.119 -0.4082  0.2125 -0.1538
+   92VAL     HB 1373   3.628   3.877   4.182  0.0995 -0.2302  0.5407
+   92VAL    CG1 1374   3.715   3.688   4.213  0.1410 -0.1514  0.0141
+   92VAL   HG11 1375   3.811   3.735   4.244 -0.6291  0.8123  0.9846
+   92VAL   HG12 1376   3.742   3.594   4.161  0.7946 -0.2414  0.5189
+   92VAL   HG13 1377   3.661   3.665   4.308  2.7858  0.2237  1.6659
+   92VAL    CG2 1378   3.722   3.814   3.993  0.4739  0.4753 -0.2815
+   92VAL   HG21 1379   3.743   3.724   3.932 -2.7667 -1.2638  1.0481
+   92VAL   HG22 1380   3.825   3.846   4.021  0.4426 -0.4152  0.9050
+   92VAL   HG23 1381   3.676   3.887   3.923 -0.5958 -0.6335 -0.7445
+   92VAL      C 1382   3.436   3.662   4.199 -0.0103 -0.1198 -0.2367
+   92VAL      O 1383   3.446   3.540   4.220 -0.1121 -0.0679  0.2084
+   93ASN      N 1384   3.362   3.737   4.281 -0.4491  0.5342  0.3913
+   93ASN     HN 1385   3.358   3.832   4.252  1.2525 -0.0311 -1.7440
+   93ASN     CA 1386   3.284   3.691   4.396 -0.5832 -0.1334  0.9983
+   93ASN     HA 1387   3.342   3.642   4.472 -0.5535  2.1283  2.4840
+   93ASN     CB 1388   3.235   3.809   4.479 -0.0394 -0.1738 -0.3438
+   93ASN    HB1 1389   3.155   3.792   4.555 -0.7847  1.1780 -0.7993
+   93ASN    HB2 1390   3.183   3.888   4.421 -0.5973 -0.4160 -0.1768
+   93ASN     CG 1391   3.350   3.883   4.555  0.2840  0.1093 -0.3778
+   93ASN    OD1 1392   3.467   3.887   4.524  0.1528 -0.1235  0.5980
+   93ASN    ND2 1393   3.308   3.941   4.669  0.3360 -0.3160  0.0336
+   93ASN   HD21 1394   3.376   3.970   4.736  0.1678 -1.3153  0.6485
+   93ASN   HD22 1395   3.214   3.938   4.701 -0.2047 -1.7187 -1.6080
+   93ASN      C 1396   3.177   3.586   4.351 -0.6252 -0.3566  0.3008
+   93ASN      O 1397   3.163   3.479   4.408 -0.9811 -0.2039  0.3014
+   94CYS      N 1398   3.108   3.621   4.237 -0.1128  0.1482 -0.3890
+   94CYS     HN 1399   3.127   3.702   4.182  1.6031  0.8748  1.2272
+   94CYS     CA 1400   3.020   3.522   4.172 -0.3103 -0.7662  0.3732
+   94CYS     HA 1401   2.961   3.479   4.252  0.4161 -1.0525  0.7568
+   94CYS     CB 1402   2.929   3.594   4.071  0.1504  0.2226 -0.3204
+   94CYS    HB1 1403   2.994   3.629   3.989  0.4932 -3.3569 -1.6802
+   94CYS    HB2 1404   2.883   3.683   4.119 -0.2899 -0.4775  0.5763
+   94CYS     SG 1405   2.790   3.491   3.999  0.1082 -0.2696  0.1001
+   94CYS      C 1406   3.094   3.400   4.119 -0.1886 -0.2608 -0.0870
+   94CYS      O 1407   3.043   3.290   4.127 -0.1000 -0.4545 -0.0208
+   95ALA      N 1408   3.217   3.406   4.073  0.0010 -0.4670 -0.0555
+   95ALA     HN 1409   3.264   3.493   4.087  0.1606 -0.1793 -2.1471
+   95ALA     CA 1410   3.297   3.299   4.014 -0.0904 -0.4903 -0.1553
+   95ALA     HA 1411   3.230   3.238   3.956 -0.8647  0.3119 -0.1274
+   95ALA     CB 1412   3.411   3.354   3.930 -0.1946  0.4467 -0.3561
+   95ALA    HB1 1413   3.444   3.288   3.847 -0.2252  0.4216 -0.3485
+   95ALA    HB2 1414   3.492   3.408   3.983  0.2560 -3.2559  2.9441
+   95ALA    HB3 1415   3.380   3.445   3.873 -0.1664  1.1439  0.7278
+   95ALA      C 1416   3.350   3.205   4.127  0.5067  0.2414  0.3243
+   95ALA      O 1417   3.348   3.083   4.117 -0.0477 -0.4350 -0.7670
+   96LYS      N 1418   3.389   3.263   4.242 -0.4186  0.1128  0.2897
+   96LYS     HN 1419   3.386   3.363   4.244 -2.0149  0.1038 -1.1183
+   96LYS     CA 1420   3.432   3.188   4.360  0.5855  0.2034 -0.1243
+   96LYS     HA 1421   3.509   3.116   4.334 -0.3369 -0.6442 -0.5576
+   96LYS     CB 1422   3.496   3.273   4.468  0.3053 -0.5248  0.5302
+   96LYS    HB1 1423   3.513   3.206   4.554  1.1583  1.5431  2.0064
+   96LYS    HB2 1424   3.429   3.357   4.494 -0.1257 -0.7663  0.2109
+   96LYS     CG 1425   3.631   3.329   4.422  0.1813 -0.7952 -0.9098
+   96LYS    HG1 1426   3.626   3.383   4.325  0.6313 -0.7621 -0.9164
+   96LYS    HG2 1427   3.706   3.247   4.420  1.1647 -0.0082  1.6501
+   96LYS     CD 1428   3.677   3.441   4.527  0.4651  0.0231 -0.0912
+   96LYS    HD1 1429   3.645   3.419   4.631 -0.9827 -0.5018 -0.6332
+   96LYS    HD2 1430   3.631   3.536   4.491  0.6643 -0.4879 -1.7504
+   96LYS     CE 1431   3.828   3.477   4.532  0.4562 -0.1028  0.0520
+   96LYS    HE1 1432   3.864   3.522   4.437  0.5560  0.9804  0.6031
+   96LYS    HE2 1433   3.880   3.380   4.549 -1.1640 -1.2265 -1.2324
+   96LYS     NZ 1434   3.836   3.578   4.634  0.4545 -0.1116 -0.4174
+   96LYS    HZ1 1435   3.769   3.656   4.618 -0.9583 -1.2004  0.0616
+   96LYS    HZ2 1436   3.935   3.606   4.651  0.4875 -0.3850 -0.1536
+   96LYS    HZ3 1437   3.806   3.537   4.724  0.8427  3.0431  1.2131
+   96LYS      C 1438   3.318   3.105   4.418 -0.1826  0.4608 -0.8000
+   96LYS      O 1439   3.340   2.987   4.451  0.2954  0.1158 -0.0316
+   97LYS      N 1440   3.198   3.160   4.418 -0.3445 -0.2681  0.7227
+   97LYS     HN 1441   3.188   3.256   4.396 -0.2381  0.2574  2.8159
+   97LYS     CA 1442   3.073   3.090   4.429 -0.2507  0.3149 -0.4212
+   97LYS     HA 1443   3.075   3.025   4.516 -0.2104 -0.6717 -1.1462
+   97LYS     CB 1444   2.953   3.190   4.440 -0.0804  0.5653  0.3620
+   97LYS    HB1 1445   2.857   3.139   4.423  0.9114 -0.8935 -0.9589
+   97LYS    HB2 1446   2.946   3.268   4.361 -1.7402 -0.0136 -0.0731
+   97LYS     CG 1447   2.954   3.265   4.567 -0.2002 -0.0175 -0.1283
+   97LYS    HG1 1448   3.045   3.327   4.582 -1.1328  1.0742  1.1740
+   97LYS    HG2 1449   2.968   3.198   4.655 -0.2612  0.7561  0.4757
+   97LYS     CD 1450   2.825   3.340   4.576  0.9325 -0.4762 -0.4720
+   97LYS    HD1 1451   2.741   3.273   4.605  1.3092 -0.7614 -0.0171
+   97LYS    HD2 1452   2.806   3.407   4.490  1.1543  0.6705  0.3690
+   97LYS     CE 1453   2.831   3.433   4.703 -0.6572 -0.8956 -1.6171
+   97LYS    HE1 1454   2.922   3.495   4.692  0.0463 -0.9262  3.1627
+   97LYS    HE2 1455   2.841   3.381   4.800  2.1841  2.5985  0.0678
+   97LYS     NZ 1456   2.716   3.526   4.715  0.1195  0.2833 -0.2585
+   97LYS    HZ1 1457   2.734   3.600   4.644 -0.8468  1.5735  0.8137
+   97LYS    HZ2 1458   2.719   3.579   4.804 -1.0132 -0.2013  0.0697
+   97LYS    HZ3 1459   2.629   3.470   4.702 -0.0163  0.4770 -0.1924
+   97LYS      C 1460   3.050   2.986   4.318  0.8882  0.4152  0.6927
+   97LYS      O 1461   3.032   2.870   4.353  0.2566 -0.2078  0.3056
+   98ILE      N 1462   3.055   3.023   4.187  0.0764  0.2270 -0.4973
+   98ILE     HN 1463   3.043   3.120   4.167 -1.7271  0.2434  0.6245
+   98ILE     CA 1464   3.028   2.923   4.079  0.2262 -0.7498  0.2069
+   98ILE     HA 1465   2.926   2.891   4.094  0.2360 -0.7015  0.3762
+   98ILE     CB 1466   3.031   2.996   3.937 -0.5068  0.1677 -0.4015
+   98ILE     HB 1467   3.121   3.061   3.937 -0.0497 -0.4520 -1.0855
+   98ILE    CG2 1468   3.055   2.902   3.818 -0.3219  0.1196  0.4857
+   98ILE   HG21 1469   2.987   2.815   3.822 -0.8260  0.4909  0.1209
+   98ILE   HG22 1470   3.158   2.863   3.804 -0.5824 -0.4631  0.1778
+   98ILE   HG23 1471   3.030   2.949   3.720  0.6979  1.0989  0.6801
+   98ILE    CG1 1472   2.915   3.089   3.919  0.4327 -0.2578  0.7232
+   98ILE   HG11 1473   2.892   3.150   4.009  0.2016 -0.1811  0.6119
+   98ILE   HG12 1474   2.822   3.031   3.900 -0.4130  1.0534  0.7891
+   98ILE     CD 1475   2.934   3.188   3.799  0.9892  0.9491 -0.1263
+   98ILE    HD1 1476   2.926   3.142   3.698  0.6234 -0.2494  0.4364
+   98ILE    HD2 1477   3.028   3.246   3.810 -0.0208  2.6906 -0.5934
+   98ILE    HD3 1478   2.856   3.267   3.804 -0.5154 -0.5716  1.0495
+   98ILE      C 1479   3.114   2.801   4.076 -0.0002  0.2332 -0.9682
+   98ILE      O 1480   3.064   2.687   4.067  0.7731 -0.3508 -0.8090
+   99VAL      N 1481   3.249   2.812   4.104 -0.0600 -0.6303  0.4785
+   99VAL     HN 1482   3.290   2.903   4.102 -1.7902  0.1562 -1.0993
+   99VAL     CA 1483   3.353   2.701   4.095 -0.2088 -0.2372 -0.6663
+   99VAL     HA 1484   3.344   2.643   4.004 -0.4101 -0.9271 -0.2023
+   99VAL     CB 1485   3.495   2.759   4.079 -0.0276 -0.3539  0.5160
+   99VAL     HB 1486   3.479   2.850   4.018 -1.2188  0.3609  1.8530
+   99VAL    CG1 1487   3.564   2.790   4.216  0.2708 -0.1587 -0.1768
+   99VAL   HG11 1488   3.485   2.854   4.262 -0.0343 -0.8394  0.2570
+   99VAL   HG12 1489   3.658   2.846   4.197 -0.1895  0.7479  0.1447
+   99VAL   HG13 1490   3.581   2.695   4.269 -0.0144  1.3774  2.7625
+   99VAL    CG2 1491   3.585   2.667   3.996  0.8541  0.1151 -0.3525
+   99VAL   HG21 1492   3.690   2.678   4.033  0.2423  0.7620  1.2288
+   99VAL   HG22 1493   3.575   2.698   3.890  1.1730 -0.1113 -0.4509
+   99VAL   HG23 1494   3.562   2.559   4.007 -0.4287  0.6076  2.1140
+   99VAL      C 1495   3.342   2.613   4.216  0.3629  0.0610  0.4943
+   99VAL      O 1496   3.388   2.495   4.215  0.8995 -0.0564  0.0438
+  100SER      N 1497   3.262   2.653   4.317  0.3446 -0.3208  0.6131
+  100SER     HN 1498   3.220   2.743   4.302  1.0307 -0.2609 -1.0478
+  100SER     CA 1499   3.242   2.588   4.441  0.7632 -0.2794 -0.2760
+  100SER     HA 1500   3.318   2.514   4.462  0.5343  0.1066  2.1310
+  100SER     CB 1501   3.231   2.681   4.571 -0.3389  0.3636 -0.0335
+  100SER    HB1 1502   3.213   2.626   4.666 -1.0643  1.0498  0.2276
+  100SER    HB2 1503   3.151   2.757   4.560 -0.8096 -0.4980 -2.8833
+  100SER     OG 1504   3.357   2.755   4.574 -0.0676  0.1228 -0.2276
+  100SER    HG1 1505   3.345   2.825   4.509 -0.6530  0.2756  0.0408
+  100SER      C 1506   3.113   2.514   4.439  0.7255 -0.1731 -0.0774
+  100SER      O 1507   3.078   2.449   4.535 -0.0223 -0.2511 -0.4183
+  101ASP      N 1508   3.029   2.512   4.332  0.1186 -0.2235  0.6304
+  101ASP     HN 1509   3.043   2.568   4.251  1.0110 -0.4398  0.6334
+  101ASP     CA 1510   2.903   2.441   4.329 -0.8555  0.3399 -0.1362
+  101ASP     HA 1511   2.871   2.443   4.432  1.6930 -2.3639  0.7674
+  101ASP     CB 1512   2.813   2.508   4.233  0.0811 -0.8469 -0.8024
+  101ASP    HB1 1513   2.863   2.515   4.134  1.5622 -1.0889 -0.0988
+  101ASP    HB2 1514   2.801   2.612   4.268  0.1425 -0.5817 -1.5644
+  101ASP     CG 1515   2.679   2.435   4.216 -0.0199 -0.3315  0.1711
+  101ASP    OD1 1516   2.597   2.436   4.312 -0.2571 -0.1714  0.1015
+  101ASP    OD2 1517   2.660   2.380   4.104 -0.3929  0.0906  0.0423
+  101ASP      C 1518   2.926   2.292   4.313  0.1279 -0.7654 -0.3957
+  101ASP      O 1519   2.841   2.214   4.350 -0.0473 -0.2308 -0.5713
+  102GLY      N 1520   3.037   2.247   4.253 -0.0948  0.2173  0.5039
+  102GLY     HN 1521   3.119   2.299   4.233  0.4188 -0.3353  1.1627
+  102GLY     CA 1522   3.064   2.098   4.244  0.3445  0.3705  0.0748
+  102GLY    HA1 1523   2.978   2.037   4.266 -1.0600  2.5078  0.6413
+  102GLY    HA2 1524   3.145   2.081   4.314  0.0645  1.2166  0.6106
+  102GLY      C 1525   3.121   2.050   4.122 -0.1283  0.3372  0.0794
+  102GLY      O 1526   3.173   1.941   4.120 -0.6421  0.3020 -0.0522
+  103ASN      N 1527   3.107   2.123   4.009  0.2593  0.2310  0.1743
+  103ASN     HN 1528   3.046   2.202   4.017  0.2258  0.5634 -2.7172
+  103ASN     CA 1529   3.136   2.063   3.877  0.2374  0.2327  0.4907
+  103ASN     HA 1530   3.158   1.958   3.882 -2.5369 -0.4396 -0.6154
+  103ASN     CB 1531   3.008   2.083   3.789 -0.0599 -0.7284  0.0240
+  103ASN    HB1 1532   2.985   2.190   3.774 -1.4438 -0.9932  0.1749
+  103ASN    HB2 1533   2.923   2.040   3.847 -2.1005  1.1700 -1.4747
+  103ASN     CG 1534   3.016   2.011   3.658 -0.5808 -0.1695  0.0355
+  103ASN    OD1 1535   3.026   1.889   3.667  0.4062 -0.1508 -0.1076
+  103ASN    ND2 1536   3.000   2.084   3.547  0.2832 -0.3024 -0.3771
+  103ASN   HD21 1537   3.010   2.035   3.460 -1.6342 -0.4101 -0.5645
+  103ASN   HD22 1538   2.962   2.176   3.554 -1.3029 -0.9783  0.1889
+  103ASN      C 1539   3.263   2.131   3.830 -0.7144  0.5186  0.1838
+  103ASN      O 1540   3.307   2.123   3.716 -0.5605  0.1659 -0.4054
+  104GLY      N 1541   3.318   2.211   3.927  0.4537 -1.0893 -0.0242
+  104GLY     HN 1542   3.283   2.207   4.020 -1.0337  0.9312 -0.4742
+  104GLY     CA 1543   3.435   2.294   3.908 -0.1364 -0.6900 -0.1058
+  104GLY    HA1 1544   3.525   2.235   3.908  1.2708  1.4048  0.8039
+  104GLY    HA2 1545   3.435   2.360   3.994 -1.8153 -0.1589 -0.4842
+  104GLY      C 1546   3.435   2.399   3.801 -0.6227  0.6961  0.1287
+  104GLY      O 1547   3.336   2.467   3.781 -0.6385  0.6356 -0.5093
+  105MET      N 1548   3.549   2.417   3.735  0.4856 -0.2306  0.0993
+  105MET     HN 1549   3.629   2.360   3.753  0.5040 -0.5691 -1.0066
+  105MET     CA 1550   3.559   2.505   3.618  0.2222 -0.5244 -0.4799
+  105MET     HA 1551   3.507   2.592   3.654  0.1858 -0.8779  0.3243
+  105MET     CB 1552   3.701   2.554   3.585 -0.2361  0.5505 -0.1601
+  105MET    HB1 1553   3.705   2.603   3.486 -2.9290  0.6676 -0.2358
+  105MET    HB2 1554   3.771   2.468   3.588  1.3026  1.7722  0.1508
+  105MET     CG 1555   3.756   2.666   3.680  0.5389  0.6177 -0.3751
+  105MET    HG1 1556   3.787   2.622   3.777 -1.1299 -0.4676 -0.3238
+  105MET    HG2 1557   3.673   2.738   3.692  1.6243  1.8536 -0.1489
+  105MET     SD 1558   3.887   2.782   3.617 -0.5838 -0.0713 -0.2651
+  105MET     CE 1559   3.797   2.874   3.493  0.9438  0.2236 -0.5759
+  105MET    HE1 1560   3.858   2.959   3.456  1.9001 -0.3620 -0.3680
+  105MET    HE2 1561   3.709   2.920   3.544  1.2563 -0.9602  1.1058
+  105MET    HE3 1562   3.753   2.817   3.408  1.0164  1.8108 -1.6889
+  105MET      C 1563   3.490   2.465   3.486  0.1598 -0.1276 -0.4328
+  105MET      O 1564   3.477   2.543   3.389 -0.1553 -0.2493 -0.5219
+  106ASN      N 1565   3.447   2.340   3.480  0.1497 -0.3337  0.5148
+  106ASN     HN 1566   3.448   2.284   3.563  2.5289  0.2523  0.9079
+  106ASN     CA 1567   3.371   2.289   3.371  0.0071  0.8127 -0.5388
+  106ASN     HA 1568   3.431   2.309   3.284  2.1129 -0.9801  0.4579
+  106ASN     CB 1569   3.350   2.127   3.389  0.5706  0.0693 -0.4481
+  106ASN    HB1 1570   3.299   2.105   3.293  1.0659  1.5799 -1.0793
+  106ASN    HB2 1571   3.290   2.099   3.478 -0.7997  2.4298 -0.5977
+  106ASN     CG 1572   3.482   2.057   3.401  0.1423  0.8916 -0.1253
+  106ASN    OD1 1573   3.544   2.033   3.295 -0.0261  0.0166 -0.0102
+  106ASN    ND2 1574   3.524   2.009   3.525 -0.3633  0.6810 -0.1470
+  106ASN   HD21 1575   3.458   2.009   3.600  2.5244  0.6780  2.4802
+  106ASN   HD22 1576   3.611   1.960   3.525  0.4558  2.0076 -2.9806
+  106ASN      C 1577   3.240   2.363   3.340  0.7725  0.1286 -0.6568
+  106ASN      O 1578   3.180   2.336   3.239 -0.2727  0.4291 -0.2034
+  107ALA      N 1579   3.192   2.458   3.430 -0.8020 -0.2683  0.2768
+  107ALA     HN 1580   3.237   2.480   3.516 -0.3745  2.1504 -0.5309
+  107ALA     CA 1581   3.071   2.545   3.416 -0.7615 -0.0923  0.1138
+  107ALA     HA 1582   2.988   2.482   3.392  0.4774 -0.4258 -3.6117
+  107ALA     CB 1583   3.050   2.628   3.544  0.0047  0.4771 -0.7431
+  107ALA    HB1 1584   3.036   2.560   3.632  2.8079  1.2769  0.3644
+  107ALA    HB2 1585   2.950   2.676   3.543 -0.4862 -0.3357  2.7175
+  107ALA    HB3 1586   3.132   2.701   3.562  0.3623 -0.5471  2.0055
+  107ALA      C 1587   3.092   2.640   3.294 -0.7095 -0.0724 -0.0577
+  107ALA      O 1588   2.994   2.680   3.227  0.0194 -0.2489 -0.0845
+  108TRP      N 1589   3.219   2.671   3.256  0.0721 -0.0091  0.4776
+  108TRP     HN 1590   3.299   2.637   3.304 -0.1634  0.0343  0.9013
+  108TRP     CA 1591   3.245   2.765   3.146  0.6415  0.5111 -0.6381
+  108TRP     HA 1592   3.161   2.831   3.133 -0.2029  0.0484  2.2279
+  108TRP     CB 1593   3.355   2.866   3.181  0.0257  0.3017 -0.2837
+  108TRP    HB1 1594   3.382   2.930   3.094 -0.1381  0.2363 -0.3842
+  108TRP    HB2 1595   3.449   2.813   3.207 -1.0476 -2.4696 -1.8741
+  108TRP     CG 1596   3.302   2.963   3.278 -0.6080 -0.6089 -0.1394
+  108TRP    CD1 1597   3.222   3.071   3.250 -0.2754  0.0169 -0.4431
+  108TRP    HD1 1598   3.179   3.088   3.153  1.0613 -1.8119 -1.3993
+  108TRP    NE1 1599   3.188   3.138   3.364  0.2529  0.3101 -0.1952
+  108TRP    HE1 1600   3.154   3.229   3.358 -1.6468 -0.4906 -2.3217
+  108TRP    CE2 1601   3.251   3.079   3.470 -0.7096  0.3608  0.1355
+  108TRP    CD2 1602   3.324   2.963   3.420 -1.0429 -0.3448 -1.4714
+  108TRP    CE3 1603   3.404   2.885   3.505 -0.5278  0.4265  0.2706
+  108TRP    HE3 1604   3.437   2.790   3.465 -3.6663 -0.2837 -0.7936
+  108TRP    CZ3 1605   3.409   2.930   3.639 -0.7107 -0.1439 -0.6084
+  108TRP    HZ3 1606   3.460   2.869   3.711 -1.0753 -0.9205 -1.0107
+  108TRP    CZ2 1607   3.269   3.123   3.605  0.1316  0.1313 -0.4920
+  108TRP    HZ2 1608   3.221   3.213   3.639 -0.0140 -0.3834  0.6991
+  108TRP    CH2 1609   3.347   3.041   3.691 -0.4126  0.1396 -0.2283
+  108TRP    HH2 1610   3.351   3.072   3.794 -0.3441  1.2444 -0.5500
+  108TRP      C 1611   3.280   2.697   3.024  0.1693  0.3920 -0.5278
+  108TRP      O 1612   3.379   2.619   3.020 -0.6613 -0.4580 -0.1364
+  109VAL      N 1613   3.202   2.705   2.914  0.2862 -0.0020 -0.1789
+  109VAL     HN 1614   3.126   2.769   2.905 -0.7491 -1.3791 -1.4612
+  109VAL     CA 1615   3.223   2.631   2.793 -0.4430  0.1881  0.4678
+  109VAL     HA 1616   3.236   2.528   2.821  1.8754 -0.0487 -1.3724
+  109VAL     CB 1617   3.104   2.644   2.698  0.4304 -0.6625 -0.7495
+  109VAL     HB 1618   3.010   2.631   2.757  1.5665  2.3243  1.8552
+  109VAL    CG1 1619   3.095   2.777   2.623 -0.9367 -0.7348  0.1779
+  109VAL   HG11 1620   3.094   2.863   2.693 -2.2307 -0.0693 -0.6334
+  109VAL   HG12 1621   3.003   2.774   2.560 -1.1841  3.3848  0.1935
+  109VAL   HG13 1622   3.169   2.788   2.540 -1.4679 -3.4756 -0.7060
+  109VAL    CG2 1623   3.102   2.541   2.588  0.0529  0.8017  0.8342
+  109VAL   HG21 1624   3.180   2.554   2.509 -0.5723  2.2665  0.4340
+  109VAL   HG22 1625   3.008   2.529   2.531  0.8191  0.0376 -0.2955
+  109VAL   HG23 1626   3.114   2.438   2.629  0.1692  0.8646  0.9598
+  109VAL      C 1627   3.354   2.668   2.721 -0.5183  0.5086 -0.4888
+  109VAL      O 1628   3.420   2.583   2.663  0.1347  0.0186 -0.0046
+  110ALA      N 1629   3.405   2.791   2.726  0.4205 -0.3882 -0.0790
+  110ALA     HN 1630   3.356   2.860   2.780  1.8511  0.6332 -0.0423
+  110ALA     CA 1631   3.533   2.823   2.674  0.0188 -0.3001  0.5263
+  110ALA     HA 1632   3.539   2.809   2.567 -0.4486  0.0774  0.4467
+  110ALA     CB 1633   3.565   2.972   2.701 -0.8432 -0.4064  0.9458
+  110ALA    HB1 1634   3.495   3.047   2.658 -0.9854 -0.1317  1.6573
+  110ALA    HB2 1635   3.660   2.987   2.645 -1.6812 -1.0161 -0.6863
+  110ALA    HB3 1636   3.582   2.994   2.809  0.8154 -0.4933  0.7225
+  110ALA      C 1637   3.646   2.750   2.749 -0.3896 -0.3964 -0.3278
+  110ALA      O 1638   3.746   2.708   2.687  0.2274  0.4183  0.3025
+  111TRP      N 1639   3.642   2.744   2.881 -0.6207  0.3720  0.0976
+  111TRP     HN 1640   3.557   2.762   2.929  0.0316  1.4808  0.8698
+  111TRP     CA 1641   3.744   2.664   2.949  0.4934  0.4052  0.4834
+  111TRP     HA 1642   3.843   2.693   2.920  0.2543  1.4226  0.6622
+  111TRP     CB 1643   3.732   2.694   3.105  0.1663  0.3654  0.9155
+  111TRP    HB1 1644   3.630   2.671   3.142 -0.6997  0.8626 -1.1058
+  111TRP    HB2 1645   3.743   2.803   3.122 -0.3327  0.5751 -0.1232
+  111TRP     CG 1646   3.834   2.625   3.191  0.4873  0.3720  0.3457
+  111TRP    CD1 1647   3.952   2.685   3.227  0.2687 -0.4102  0.1796
+  111TRP    HD1 1648   3.990   2.783   3.203 -1.0422 -0.1939 -1.0960
+  111TRP    NE1 1649   4.031   2.585   3.285 -0.2929 -0.0950  0.5437
+  111TRP    HE1 1650   4.126   2.590   3.310  0.1686  1.0116 -1.3379
+  111TRP    CE2 1651   3.968   2.475   3.290 -0.0695 -0.6529 -0.1726
+  111TRP    CD2 1652   3.838   2.496   3.243  0.0247  0.1759  0.0382
+  111TRP    CE3 1653   3.748   2.392   3.257 -0.1562 -0.1760  0.0037
+  111TRP    HE3 1654   3.644   2.399   3.228 -0.3888 -1.7254  0.3934
+  111TRP    CZ3 1655   3.790   2.264   3.304 -0.5036 -0.1110  0.3988
+  111TRP    HZ3 1656   3.722   2.180   3.307  2.0158 -2.2270 -0.1039
+  111TRP    CZ2 1657   4.011   2.347   3.339  0.3564 -0.2992 -1.1931
+  111TRP    HZ2 1658   4.115   2.332   3.363  0.4679  2.2792  0.0589
+  111TRP    CH2 1659   3.923   2.246   3.348  0.3243 -0.2243  0.4279
+  111TRP    HH2 1660   3.955   2.147   3.379  0.8071 -0.0704  0.4318
+  111TRP      C 1661   3.762   2.518   2.916 -0.3218  0.0864  0.0395
+  111TRP      O 1662   3.873   2.467   2.903  0.9066 -0.0299 -0.4484
+  112ARG      N 1663   3.649   2.450   2.892 -0.1821  1.0004 -0.0345
+  112ARG     HN 1664   3.566   2.492   2.929 -0.5779  0.1541  0.0500
+  112ARG     CA 1665   3.638   2.317   2.840 -0.4860 -0.2660  0.3819
+  112ARG     HA 1666   3.673   2.250   2.917 -0.0973 -0.8530 -0.3007
+  112ARG     CB 1667   3.488   2.286   2.818  0.6690  0.6258 -0.9705
+  112ARG    HB1 1668   3.482   2.197   2.752  0.6664  0.9605 -1.4206
+  112ARG    HB2 1669   3.434   2.370   2.768 -0.3269 -0.1995 -1.3096
+  112ARG     CG 1670   3.401   2.269   2.946 -0.5386 -0.2013  0.1218
+  112ARG    HG1 1671   3.352   2.360   2.986  0.1446 -0.0703  0.6915
+  112ARG    HG2 1672   3.476   2.244   3.024 -0.4455  2.6296  0.9912
+  112ARG     CD 1673   3.291   2.153   2.950  0.7140  0.2504 -0.0219
+  112ARG    HD1 1674   3.246   2.143   3.051  1.1198  0.0380  0.1354
+  112ARG    HD2 1675   3.328   2.055   2.913 -1.1870 -0.9157  1.0494
+  112ARG     NE 1676   3.194   2.199   2.848  0.0680 -0.0185  0.0809
+  112ARG     HE 1677   3.201   2.171   2.752  2.0338 -0.1411  0.2532
+  112ARG     CZ 1678   3.079   2.258   2.879  0.1825 -0.5898  0.0827
+  112ARG    NH1 1679   3.055   2.315   2.996  0.0111  0.2157  0.1744
+  112ARG   HH11 1680   3.118   2.323   3.073 -0.0229  1.2488  0.1083
+  112ARG   HH12 1681   2.966   2.356   3.015  0.5481  1.1770  0.6595
+  112ARG    NH2 1682   2.976   2.279   2.803 -0.0790 -0.0825 -0.0578
+  112ARG   HH21 1683   2.899   2.333   2.836  0.4998  0.5465  0.2880
+  112ARG   HH22 1684   2.982   2.250   2.708  0.9992 -0.2560  0.0521
+  112ARG      C 1685   3.718   2.296   2.710  0.5024  0.6979 -0.3377
+  112ARG      O 1686   3.811   2.216   2.688  0.9321  0.1955 -0.0506
+  113ASN      N 1687   3.686   2.380   2.614 -0.6314 -0.5567 -0.0593
+  113ASN     HN 1688   3.621   2.453   2.633 -1.1627 -0.8937 -0.5441
+  113ASN     CA 1689   3.725   2.375   2.470  0.6077  0.9007 -0.1457
+  113ASN     HA 1690   3.730   2.272   2.437 -2.3812 -0.3036  2.8919
+  113ASN     CB 1691   3.620   2.470   2.392 -0.1726 -0.0343 -0.2108
+  113ASN    HB1 1692   3.648   2.485   2.285 -3.2609  0.5323 -0.9999
+  113ASN    HB2 1693   3.621   2.567   2.445 -0.9974  0.1054 -0.4430
+  113ASN     CG 1694   3.478   2.415   2.404 -0.5088  0.2918 -0.2751
+  113ASN    OD1 1695   3.443   2.329   2.484 -0.4108 -0.0189  0.3615
+  113ASN    ND2 1696   3.390   2.463   2.308 -0.0818 -0.3599  0.4558
+  113ASN   HD21 1697   3.297   2.428   2.311  1.4389 -4.6076  0.5829
+  113ASN   HD22 1698   3.419   2.535   2.244 -0.9172 -0.7597 -0.3811
+  113ASN      C 1699   3.855   2.428   2.442 -0.8122 -0.2958 -0.0036
+  113ASN      O 1700   3.927   2.386   2.353 -0.3027  0.6264  0.2913
+  114ARG      N 1701   3.899   2.535   2.515 -0.2520 -0.1991  0.2030
+  114ARG     HN 1702   3.841   2.578   2.583 -1.1298 -1.4947  0.2909
+  114ARG     CA 1703   4.022   2.604   2.479  0.7814 -0.2795 -0.2323
+  114ARG     HA 1704   4.059   2.573   2.383  1.0497 -0.7009  0.0069
+  114ARG     CB 1705   3.990   2.753   2.466  0.9976  0.5671 -0.3471
+  114ARG    HB1 1706   4.087   2.808   2.465  1.7648 -0.7058  0.9819
+  114ARG    HB2 1707   3.942   2.789   2.559  2.0002  1.7850 -0.2950
+  114ARG     CG 1708   3.894   2.791   2.346 -0.6198 -0.7449 -0.1697
+  114ARG    HG1 1709   3.869   2.899   2.351 -0.6000 -0.7190 -0.5978
+  114ARG    HG2 1710   3.800   2.736   2.367 -0.8602 -0.2135  0.1677
+  114ARG     CD 1711   3.970   2.779   2.215 -0.8254 -0.4367  0.0890
+  114ARG    HD1 1712   4.018   2.682   2.190  1.4302  0.8784 -0.8776
+  114ARG    HD2 1713   4.057   2.847   2.222 -2.1883  1.1526  2.1806
+  114ARG     NE 1714   3.877   2.819   2.104  0.3080  0.5411 -0.2874
+  114ARG     HE 1715   3.779   2.826   2.119  0.1356 -0.8043 -0.6775
+  114ARG     CZ 1716   3.910   2.823   1.975 -0.6112 -0.5153 -0.5212
+  114ARG    NH1 1717   4.033   2.794   1.944 -0.0087 -0.0601 -0.6973
+  114ARG   HH11 1718   4.072   2.795   1.852 -0.5508  0.4084 -0.9266
+  114ARG   HH12 1719   4.102   2.783   2.015 -0.8763  2.8236  0.6423
+  114ARG    NH2 1720   3.829   2.863   1.879  0.1456  0.4347  0.1627
+  114ARG   HH21 1721   3.740   2.906   1.896  0.0358 -0.0172  0.7778
+  114ARG   HH22 1722   3.875   2.863   1.790  3.5241 -0.0299  1.8192
+  114ARG      C 1723   4.138   2.588   2.574  0.6522  0.2465 -0.4443
+  114ARG      O 1724   4.254   2.605   2.535  0.7155  0.3234  0.3107
+  115CYS      N 1725   4.108   2.547   2.701 -0.6746  0.1816 -0.4146
+  115CYS     HN 1726   4.016   2.513   2.719 -0.6083 -0.0710 -0.5497
+  115CYS     CA 1727   4.204   2.564   2.808  0.0633  0.7358 -0.0771
+  115CYS     HA 1728   4.296   2.601   2.766  1.2688 -2.7137 -0.6055
+  115CYS     CB 1729   4.154   2.676   2.908 -0.7117 -0.9985  0.4105
+  115CYS    HB1 1730   4.231   2.710   2.979  0.1376  0.8814 -1.3454
+  115CYS    HB2 1731   4.070   2.637   2.970  0.1625 -1.0844  1.5439
+  115CYS     SG 1732   4.082   2.824   2.834 -0.1212  0.1255  0.1072
+  115CYS      C 1733   4.244   2.443   2.884 -0.1400 -0.0217 -0.2177
+  115CYS      O 1734   4.355   2.422   2.934  0.1608  0.0410 -0.6223
+  116LYS      N 1735   4.151   2.349   2.896  0.2320 -0.4220  0.0192
+  116LYS     HN 1736   4.065   2.366   2.849  0.8294  0.2850 -0.8249
+  116LYS     CA 1737   4.171   2.222   2.963  0.4058  0.0454  0.1862
+  116LYS     HA 1738   4.197   2.243   3.066 -0.1344 -0.3545  0.4050
+  116LYS     CB 1739   4.044   2.145   2.962  0.5430  0.2367  0.1213
+  116LYS    HB1 1740   4.022   2.105   2.860 -0.4880  1.0686  0.0218
+  116LYS    HB2 1741   3.961   2.213   2.987  0.6483  0.5853 -0.4577
+  116LYS     CG 1742   4.044   2.033   3.060 -0.4184  0.5286  0.0608
+  116LYS    HG1 1743   4.076   2.076   3.158  0.5499 -1.1034  0.4853
+  116LYS    HG2 1744   4.117   1.954   3.031 -0.4870  0.1827  0.8286
+  116LYS     CD 1745   3.899   1.973   3.082  0.2758 -0.4042  0.7402
+  116LYS    HD1 1746   3.863   1.925   2.989 -0.6927  1.4609  0.1337
+  116LYS    HD2 1747   3.835   2.063   3.087 -1.1028 -1.3287 -0.0898
+  116LYS     CE 1748   3.893   1.883   3.202  0.0165 -0.0962 -0.1486
+  116LYS    HE1 1749   3.918   1.950   3.288 -1.9808 -0.1691  0.5142
+  116LYS    HE2 1750   3.960   1.795   3.208  1.7408  1.1793 -0.2566
+  116LYS     NZ 1751   3.752   1.852   3.223 -0.1363 -0.4816  0.3094
+  116LYS    HZ1 1752   3.731   1.809   3.315 -2.2015  1.6473  0.9038
+  116LYS    HZ2 1753   3.733   1.795   3.138  1.1795  1.4873 -1.3724
+  116LYS    HZ3 1754   3.702   1.944   3.220 -1.4041 -1.1768 -0.4019
+  116LYS      C 1755   4.274   2.126   2.899 -0.5112  0.9096  0.4370
+  116LYS      O 1756   4.277   2.112   2.774  0.5406  0.6973 -1.1912
+  117GLY      N 1757   4.370   2.068   2.977  0.2229  0.1481 -0.2187
+  117GLY     HN 1758   4.352   2.077   3.074  0.4314  0.0854 -0.1719
+  117GLY     CA 1759   4.489   1.997   2.929 -0.1704 -0.2134  0.3796
+  117GLY    HA1 1760   4.457   1.915   2.866 -1.6636  1.5400 -1.2323
+  117GLY    HA2 1761   4.533   1.958   3.019 -0.0900  1.6574  1.1564
+  117GLY      C 1762   4.585   2.074   2.849 -0.2883  0.9735 -0.0645
+  117GLY      O 1763   4.647   2.019   2.756  0.2580 -0.3431 -0.2940
+  118THR      N 1764   4.616   2.200   2.884 -0.5542  0.3943 -0.2792
+  118THR     HN 1765   4.583   2.244   2.967 -1.7139 -0.5971 -0.2053
+  118THR     CA 1766   4.703   2.287   2.804  0.6427 -0.0018  0.8460
+  118THR     HA 1767   4.768   2.218   2.753  0.5774 -1.6582  2.8983
+  118THR     CB 1768   4.631   2.375   2.698  0.4110 -0.3543 -1.2374
+  118THR     HB 1769   4.705   2.425   2.632  1.5142  0.2682  0.4506
+  118THR    OG1 1770   4.549   2.476   2.747  0.1221  0.0470 -0.5993
+  118THR    HG1 1771   4.488   2.427   2.803  0.2670  0.3213 -0.1941
+  118THR    CG2 1772   4.538   2.296   2.607  0.6544  0.1504  0.0117
+  118THR   HG21 1773   4.449   2.262   2.663  0.8979 -1.4728 -0.5685
+  118THR   HG22 1774   4.600   2.216   2.560  1.1123 -0.0194  0.9111
+  118THR   HG23 1775   4.509   2.361   2.521 -0.5954 -1.2888 -0.6949
+  118THR      C 1776   4.777   2.385   2.894 -1.0196  0.6550 -1.8065
+  118THR      O 1777   4.722   2.427   2.996 -0.5587  0.2273 -0.3004
+  119ASP      N 1778   4.899   2.420   2.857  0.3354  0.3189  0.3556
+  119ASP     HN 1779   4.948   2.380   2.780 -3.0605  0.2877 -1.8491
+  119ASP     CA 1780   4.970   2.526   2.924  0.2807  0.1694 -0.0480
+  119ASP     HA 1781   4.981   2.503   3.029  0.4765  0.5473  0.0130
+  119ASP     CB 1782   5.119   2.526   2.870  0.5137 -0.5129 -0.4195
+  119ASP    HB1 1783   5.112   2.545   2.760  0.0886  1.8319 -0.0173
+  119ASP    HB2 1784   5.158   2.423   2.887 -0.3247 -0.9046 -0.8085
+  119ASP     CG 1785   5.211   2.631   2.924 -0.2708 -0.2010  1.0203
+  119ASP    OD1 1786   5.202   2.681   3.037  0.4581 -0.7470 -0.1135
+  119ASP    OD2 1787   5.313   2.657   2.855 -0.2483 -0.4881 -0.2367
+  119ASP      C 1788   4.901   2.665   2.926  0.1098 -0.1596 -1.0608
+  119ASP      O 1789   4.911   2.745   2.832  0.0472  0.2918 -0.0969
+  120VAL      N 1790   4.842   2.697   3.039  0.1440 -0.2185  0.3397
+  120VAL     HN 1791   4.820   2.636   3.115  0.4928 -1.4293 -0.5153
+  120VAL     CA 1792   4.773   2.820   3.056  0.2344  0.2753  0.2043
+  120VAL     HA 1793   4.748   2.872   2.965  0.8068  0.1769 -0.0064
+  120VAL     CB 1794   4.639   2.799   3.133 -0.0965 -0.1213  0.1934
+  120VAL     HB 1795   4.588   2.897   3.140  1.9567  1.0964 -1.2250
+  120VAL    CG1 1796   4.533   2.709   3.063  0.4948  0.4797  0.3053
+  120VAL   HG11 1797   4.449   2.711   3.136  1.6467 -1.4778  1.7018
+  120VAL   HG12 1798   4.575   2.607   3.056 -1.5234 -0.3484 -0.0355
+  120VAL   HG13 1799   4.504   2.725   2.957 -0.6099 -0.3079  0.4830
+  120VAL    CG2 1800   4.673   2.741   3.274  0.1075 -0.4084 -0.6258
+  120VAL   HG21 1801   4.753   2.792   3.333 -2.4195  1.5557  1.2069
+  120VAL   HG22 1802   4.696   2.635   3.253  2.4272 -0.4055  1.5605
+  120VAL   HG23 1803   4.589   2.745   3.346  0.6721  0.3470  0.0085
+  120VAL      C 1804   4.857   2.924   3.133  0.2952 -0.0116 -0.1613
+  120VAL      O 1805   4.818   3.043   3.156 -0.2116 -0.1588 -0.8314
+  121GLN      N 1806   4.974   2.877   3.182  0.7387  0.2220  1.0034
+  121GLN     HN 1807   5.006   2.791   3.145  0.4503  0.4417  0.2233
+  121GLN     CA 1808   5.076   2.957   3.246  0.0729 -1.1736 -0.0739
+  121GLN     HA 1809   5.020   3.015   3.318 -0.2147  0.6040 -1.6909
+  121GLN     CB 1810   5.179   2.873   3.325  0.2792 -0.4015  0.9798
+  121GLN    HB1 1811   5.249   2.824   3.255 -0.2877  0.6003 -0.3241
+  121GLN    HB2 1812   5.122   2.791   3.374  0.2515 -0.4982  0.7866
+  121GLN     CG 1813   5.261   2.961   3.430 -0.5457  0.1768 -0.7006
+  121GLN    HG1 1814   5.194   2.992   3.513 -0.5384  2.0817 -1.3949
+  121GLN    HG2 1815   5.297   3.056   3.386  1.0983  0.8138  1.9374
+  121GLN     CD 1816   5.379   2.890   3.494 -0.0080 -0.0894  0.5913
+  121GLN    OE1 1817   5.470   2.836   3.428  0.0895 -0.7081  0.1979
+  121GLN    NE2 1818   5.388   2.882   3.628 -0.0145  0.2769  0.0349
+  121GLN   HE21 1819   5.436   2.800   3.658  0.6578 -0.6303 -3.3244
+  121GLN   HE22 1820   5.308   2.918   3.678  0.8035  0.5665  1.1561
+  121GLN      C 1821   5.145   3.052   3.141 -0.7547 -1.0160 -0.3593
+  121GLN      O 1822   5.202   3.154   3.171 -0.6621 -0.7871 -0.3549
+  122ALA      N 1823   5.135   3.007   3.017  0.0497 -0.5462  0.2277
+  122ALA     HN 1824   5.104   2.914   2.995  2.4311 -1.2226 -0.4053
+  122ALA     CA 1825   5.166   3.094   2.904 -0.3544  0.7716  0.0768
+  122ALA     HA 1826   5.272   3.112   2.903 -0.0798 -0.5926  1.8539
+  122ALA     CB 1827   5.151   3.011   2.776 -0.2966  0.2523 -0.0635
+  122ALA    HB1 1828   5.041   3.001   2.762 -0.4930  0.0590  1.5085
+  122ALA    HB2 1829   5.203   2.915   2.796  0.4199  0.7617  0.5622
+  122ALA    HB3 1830   5.192   3.063   2.687 -0.8365  0.3445 -0.2663
+  122ALA      C 1831   5.090   3.228   2.893  0.5044  0.1421  0.2783
+  122ALA      O 1832   5.151   3.328   2.861  0.2354 -0.3373  0.1892
+  123TRP      N 1833   4.958   3.227   2.920  0.4223  0.2076 -0.4392
+  123TRP     HN 1834   4.909   3.141   2.927  2.1057 -0.8422 -1.4097
+  123TRP     CA 1835   4.876   3.349   2.937  0.2782 -0.0468 -0.8619
+  123TRP     HA 1836   4.881   3.408   2.846 -0.6366  1.4497  0.0471
+  123TRP     CB 1837   4.723   3.310   2.957 -0.6721 -0.6278 -0.4398
+  123TRP    HB1 1838   4.661   3.402   2.970  1.0396  0.5579 -0.5280
+  123TRP    HB2 1839   4.715   3.244   3.046 -0.8506 -1.6012 -1.1730
+  123TRP     CG 1840   4.660   3.237   2.844  0.3279  0.3823  0.1676
+  123TRP    CD1 1841   4.632   3.105   2.849 -0.6204  0.2706 -0.1388
+  123TRP    HD1 1842   4.650   3.043   2.936  1.4880  0.3520 -0.4883
+  123TRP    NE1 1843   4.583   3.062   2.725 -0.1211 -0.0878 -0.4571
+  123TRP    HE1 1844   4.586   2.968   2.700  1.4289  0.1678 -1.3055
+  123TRP    CE2 1845   4.572   3.176   2.645  0.0063 -0.6899 -0.5940
+  123TRP    CD2 1846   4.619   3.289   2.720  0.5979 -0.2280 -0.1580
+  123TRP    CE3 1847   4.621   3.413   2.661  0.3687 -0.4391 -0.3452
+  123TRP    HE3 1848   4.671   3.497   2.709  0.3872 -2.1862  2.8385
+  123TRP    CZ3 1849   4.572   3.425   2.531  0.5902  0.1852 -0.0407
+  123TRP    HZ3 1850   4.558   3.525   2.492  0.9061  0.0093 -0.6097
+  123TRP    CZ2 1851   4.529   3.189   2.514 -0.5410 -0.7375 -0.9307
+  123TRP    HZ2 1852   4.498   3.100   2.461  0.5584 -2.1623  0.7441
+  123TRP    CH2 1853   4.511   3.316   2.468 -0.0399  0.0488 -0.2119
+  123TRP    HH2 1854   4.466   3.338   2.372  0.6947  1.7835 -0.1748
+  123TRP      C 1855   4.925   3.443   3.041 -0.1648  0.9817 -0.3472
+  123TRP      O 1856   4.893   3.563   3.035  0.7908  0.1802  0.1674
+  124ILE      N 1857   4.999   3.400   3.141 -0.3186 -0.5699 -0.3315
+  124ILE     HN 1858   5.010   3.303   3.163  0.4180 -0.3950  0.0701
+  124ILE     CA 1859   5.064   3.489   3.235 -0.5560 -0.0033  0.7297
+  124ILE     HA 1860   5.028   3.591   3.222 -2.5857 -0.7293  0.5079
+  124ILE     CB 1861   5.015   3.465   3.377  0.5298 -0.1857  0.5561
+  124ILE     HB 1862   5.060   3.544   3.441  0.7648 -0.0811  0.2627
+  124ILE    CG2 1863   4.858   3.491   3.374 -0.2071 -1.0094  0.3627
+  124ILE   HG21 1864   4.802   3.406   3.328 -2.0665  0.6759 -0.5729
+  124ILE   HG22 1865   4.828   3.578   3.313 -0.0920 -1.3860 -0.2387
+  124ILE   HG23 1866   4.822   3.515   3.476 -1.7449 -0.8490 -0.1977
+  124ILE    CG1 1867   5.053   3.328   3.441  0.6454 -0.3004  0.0254
+  124ILE   HG11 1868   5.163   3.316   3.445  0.5687 -0.7578  0.8735
+  124ILE   HG12 1869   5.013   3.253   3.369  1.2789  0.1238 -0.7777
+  124ILE     CD 1870   4.993   3.300   3.574 -0.0702  0.8376  0.0089
+  124ILE    HD1 1871   4.882   3.297   3.579 -0.1106 -2.9264 -1.4861
+  124ILE    HD2 1872   5.027   3.376   3.647 -0.9696  2.5681 -1.3295
+  124ILE    HD3 1873   5.041   3.207   3.612  0.1779  0.5796 -0.9160
+  124ILE      C 1874   5.212   3.496   3.224 -0.5141 -1.0022 -0.2265
+  124ILE      O 1875   5.277   3.552   3.314 -0.3183 -0.5309  0.8613
+  125ARG      N 1876   5.276   3.438   3.126 -0.3974 -0.4090  0.4111
+  125ARG     HN 1877   5.230   3.373   3.065 -1.2643 -1.0886  1.7756
+  125ARG     CA 1878   5.420   3.456   3.104 -0.1504  0.0565 -0.2618
+  125ARG     HA 1879   5.477   3.449   3.196  0.2215 -1.1567 -0.5722
+  125ARG     CB 1880   5.474   3.355   3.000  0.7785 -0.2255  0.1189
+  125ARG    HB1 1881   5.550   3.403   2.936 -1.8933  0.8786 -2.3174
+  125ARG    HB2 1882   5.398   3.325   2.925 -1.2239 -0.4891  2.1862
+  125ARG     CG 1883   5.532   3.220   3.063 -0.2813 -0.0097 -0.7218
+  125ARG    HG1 1884   5.451   3.173   3.121  0.7487  2.2805  2.7779
+  125ARG    HG2 1885   5.610   3.242   3.140 -1.4106 -0.6870  0.6359
+  125ARG     CD 1886   5.591   3.130   2.958 -0.7420  0.7176  0.4615
+  125ARG    HD1 1887   5.698   3.143   2.932 -0.4102 -1.8539  0.3433
+  125ARG    HD2 1888   5.530   3.125   2.865  0.5077  0.4602 -0.3619
+  125ARG     NE 1889   5.595   2.992   3.025  0.2277  0.8900  0.4832
+  125ARG     HE 1890   5.605   3.005   3.123  0.1741  1.5926  0.3980
+  125ARG     CZ 1891   5.505   2.897   3.005  0.5704 -0.6209  0.0675
+  125ARG    NH1 1892   5.459   2.882   2.882  0.8644 -0.1646 -0.4533
+  125ARG   HH11 1893   5.528   2.909   2.815  1.1893 -2.8837 -1.2960
+  125ARG   HH12 1894   5.384   2.817   2.864  0.4249  0.1258  0.2825
+  125ARG    NH2 1895   5.450   2.830   3.101  0.9330  0.0274  0.4446
+  125ARG   HH21 1896   5.491   2.838   3.192  0.4000 -1.3414  0.8267
+  125ARG   HH22 1897   5.373   2.768   3.084 -0.1834  2.0157 -2.0120
+  125ARG      C 1898   5.446   3.602   3.060  0.2822  0.9399 -0.5417
+  125ARG      O 1899   5.361   3.668   2.998  0.8353  0.2666  0.5222
+  126GLY      N 1900   5.563   3.657   3.097 -1.0432 -0.3153  0.7157
+  126GLY     HN 1901   5.637   3.607   3.143 -0.7660 -0.1800  0.4212
+  126GLY     CA 1902   5.608   3.794   3.061  0.4287  0.1114 -0.0721
+  126GLY    HA1 1903   5.613   3.792   2.953  0.0407 -1.1352 -0.0812
+  126GLY    HA2 1904   5.704   3.807   3.108 -1.1439  1.1983  2.8959
+  126GLY      C 1905   5.513   3.901   3.111 -0.4551 -0.3199 -0.5842
+  126GLY      O 1906   5.491   4.011   3.063  0.4835  0.4020  0.9084
+  127CYS      N 1907   5.457   3.874   3.227  0.1117  0.6016 -0.2298
+  127CYS     HN 1908   5.455   3.779   3.256 -0.3313  0.5967 -0.2875
+  127CYS     CA 1909   5.387   3.974   3.313 -0.1625  0.2967  0.2796
+  127CYS     HA 1910   5.371   4.064   3.255 -2.4768  0.4596  1.0855
+  127CYS     CB 1911   5.238   3.935   3.350 -0.1589 -0.0084  0.6502
+  127CYS    HB1 1912   5.191   4.012   3.415 -0.7004  0.0717  0.1678
+  127CYS    HB2 1913   5.232   3.836   3.400 -0.3152  0.1447  0.9407
+  127CYS     SG 1914   5.125   3.922   3.207 -0.1108  0.0027  0.3551
+  127CYS      C 1915   5.477   4.004   3.433  0.2604  0.3368  0.4197
+  127CYS      O 1916   5.542   3.916   3.486  0.0228 -0.6162 -0.3654
+  128ARG      N 1917   5.485   4.132   3.483  0.5867  0.3914  0.4491
+  128ARG     HN 1918   5.442   4.205   3.430  0.5319 -0.6883 -1.0322
+  128ARG     CA 1919   5.514   4.154   3.630 -0.3974 -0.5243 -1.3022
+  128ARG     HA 1920   5.574   4.071   3.662 -1.7193 -1.1044 -0.2857
+  128ARG     CB 1921   5.595   4.279   3.662 -0.9815 -0.3112 -0.5825
+  128ARG    HB1 1922   5.604   4.297   3.772  3.9900  1.5434 -1.1624
+  128ARG    HB2 1923   5.546   4.373   3.628 -1.6206 -0.9041 -1.2974
+  128ARG     CG 1924   5.734   4.279   3.597 -0.3855  0.0018 -0.2374
+  128ARG    HG1 1925   5.775   4.383   3.595 -1.1798  0.3137 -0.4686
+  128ARG    HG2 1926   5.710   4.247   3.493 -0.7272  1.6465 -0.6831
+  128ARG     CD 1927   5.835   4.189   3.664 -0.4172  0.0005 -0.4445
+  128ARG    HD1 1928   5.930   4.199   3.607 -0.7611  1.2457 -0.8122
+  128ARG    HD2 1929   5.811   4.081   3.653  2.2386 -0.8283  1.3042
+  128ARG     NE 1930   5.846   4.222   3.805 -0.5352 -0.2344 -0.5839
+  128ARG     HE 1931   5.788   4.181   3.875  1.4446  0.8059  1.7160
+  128ARG     CZ 1932   5.945   4.301   3.853  0.0983  0.6936  0.2644
+  128ARG    NH1 1933   6.023   4.371   3.776  0.0666  0.2927  0.3551
+  128ARG   HH11 1934   6.038   4.347   3.681  1.9597  0.4777  0.5914
+  128ARG   HH12 1935   6.089   4.437   3.811 -0.9928  0.4658  2.0824
+  128ARG    NH2 1936   5.965   4.321   3.979  0.0780  0.0394 -0.6948
+  128ARG   HH21 1937   5.924   4.265   4.052  3.2526 -1.9867 -0.3638
+  128ARG   HH22 1938   6.033   4.388   4.007 -1.1903  0.8608  0.4784
+  128ARG      C 1939   5.390   4.138   3.724 -0.3242  0.9835 -0.3270
+  128ARG      O 1940   5.286   4.194   3.701  0.2718 -0.5787 -0.1926
+  129LEU      N 1941   5.403   4.063   3.829 -0.2148  0.7827 -0.8837
+  129LEU     HN 1942   5.489   4.024   3.862  0.1614 -0.7327 -3.4403
+  129LEU     CA 1943   5.289   4.014   3.906 -0.0747  0.1403  0.0353
+  129LEU     HA 1944   5.217   4.093   3.919  1.3862  1.6530 -0.8664
+  129LEU     CB 1945   5.228   3.883   3.848 -0.0664  0.9137  1.0672
+  129LEU    HB1 1946   5.306   3.804   3.844 -0.1235  0.9151 -3.8014
+  129LEU    HB2 1947   5.195   3.894   3.742 -1.7255  1.3263  1.6043
+  129LEU     CG 1948   5.112   3.828   3.926  0.5537  0.1904  0.2336
+  129LEU     HG 1949   5.100   3.867   4.029 -0.9188 -0.6642  0.4044
+  129LEU    CD1 1950   4.986   3.887   3.866  0.1876  0.2088  0.3998
+  129LEU   HD11 1951   4.903   3.845   3.926  0.0073 -0.6602 -0.4487
+  129LEU   HD12 1952   4.966   3.852   3.763 -3.2693 -0.3941  1.1994
+  129LEU   HD13 1953   4.992   3.998   3.871 -1.2782  0.2812  0.7569
+  129LEU    CD2 1954   5.105   3.678   3.905  0.0698  0.4317 -0.2320
+  129LEU   HD21 1955   5.005   3.633   3.920  0.2139  0.1518 -0.0998
+  129LEU   HD22 1956   5.177   3.616   3.964 -1.1846 -1.4302 -0.6018
+  129LEU   HD23 1957   5.127   3.654   3.798  1.3429  2.7654 -0.5342
+  129LEU      C 1958   5.339   3.974   4.049 -0.2293  0.0547  0.4323
+  129LEU    OT1 1959   5.423   3.876   4.060 -0.0904  0.3250  0.3192
+  129LEU    OT2 1960   5.300   4.029   4.152  0.2055  0.0746 -0.4191
+  130SOD    SOD 1961   1.677   6.254   0.777 -0.1957  0.1853  0.1859
+  131SOD    SOD 1962   1.309   3.004   5.392 -0.0779 -0.1191 -0.2743
+  132SOD    SOD 1963   1.656   4.614   5.298 -0.1810  0.2298  0.7166
+  133SOD    SOD 1964   0.854   5.550   2.776 -0.1159 -0.5064 -0.0885
+  134SOD    SOD 1965   3.503   6.494   3.761 -0.6383  0.5127  0.0186
+  135SOD    SOD 1966   1.714   2.519   1.891  0.0716  0.5478  0.2435
+  136SOD    SOD 1967   5.959   5.036   4.487  0.1929  0.7002  0.2135
+  137SOD    SOD 1968   5.670   6.307   0.870  0.3127  0.1546 -0.0304
+  138SOD    SOD 1969   5.201   5.816   3.120  0.1134  0.0035  0.0968
+  139SOD    SOD 1970   0.734   2.298   6.085  0.2460  0.3414  0.5146
+  140SOD    SOD 1971   1.414   1.025   5.846  0.3850 -0.3234  0.0503
+  141SOD    SOD 1972   0.916   4.241   3.100  0.0853 -0.2078  0.1195
+  142SOD    SOD 1973   5.690   2.310   1.393  0.7418 -0.3396 -0.2566
+  143SOD    SOD 1974   5.337   1.987   1.056  0.1389  0.1908  0.6538
+  144SOD    SOD 1975   1.518   2.148   6.724  0.6345  0.0786  0.3627
+  145SOD    SOD 1976   3.961   0.954   5.154  0.1668 -0.2918 -0.4366
+  146SOD    SOD 1977   5.251   5.378   1.651 -0.2259 -0.7417 -0.4281
+  147SOD    SOD 1978   6.389   1.301   6.363  0.5540  0.0565 -0.3360
+  148SOD    SOD 1979   0.741   4.390   6.522 -0.6974  0.3511 -0.0602
+  149SOD    SOD 1980   3.668   0.199   3.233 -0.0107 -0.3332  0.5264
+  150SOD    SOD 1981   5.175   0.021   4.063  0.1752 -0.0969  0.4751
+  151SOD    SOD 1982   0.870   6.873   4.336 -0.4450  0.4529  0.2648
+  152SOD    SOD 1983   0.097   6.641   1.233  0.1406 -0.0373  0.0441
+  153SOD    SOD 1984   1.275   4.836   3.790 -0.2678 -0.1870  0.3998
+  154SOD    SOD 1985   0.688   2.297   1.643 -0.0911  0.0253  0.1945
+  155SOD    SOD 1986   4.034   4.661   0.434  0.2233  0.6999  0.5115
+  156SOD    SOD 1987   3.587   5.065   5.258  0.5467 -0.2034 -0.1765
+  157CLA    CLA 1988   0.870   5.048   3.876 -0.1309 -0.0981 -0.2075
+  158CLA    CLA 1989   1.990   1.237   2.945  0.0358  0.2301 -0.1387
+  159CLA    CLA 1990   5.224   4.130   5.984 -0.0626  0.5683  0.2653
+  160CLA    CLA 1991   3.630   6.115   4.047 -0.0256 -0.0234 -0.0245
+  161CLA    CLA 1992   0.439   2.586   0.929 -0.0842  0.2021  0.0381
+  162CLA    CLA 1993   6.272   5.986   6.810  0.3272 -0.5319 -0.0728
+  163CLA    CLA 1994   3.775   0.903   2.977 -0.3012  0.1014  0.1920
+  164CLA    CLA 1995   4.391   2.753   1.195  0.0074 -0.1730 -0.1613
+  165CLA    CLA 1996   2.274   3.691   0.533 -0.3986  0.0741 -0.0005
+  166CLA    CLA 1997   0.814   6.810   1.298 -0.1295  0.1059 -0.4650
+  167CLA    CLA 1998   0.875   6.522   0.778 -0.2699 -0.3470  0.4691
+  168CLA    CLA 1999   0.982   2.066   1.223 -0.1899 -0.0425 -0.3725
+  169CLA    CLA 2000   1.298   4.758   4.952 -0.0990  0.1740  0.6237
+  170CLA    CLA 2001   6.355   4.401   1.583 -0.1711 -0.0463 -0.1103
+  171CLA    CLA 2002   2.181   1.583   4.044 -0.1342  0.3507  0.0264
+  172CLA    CLA 2003   6.093   1.596   2.875 -0.4788 -0.0127  0.6336
+  173CLA    CLA 2004   6.488   4.972   4.830 -0.0115  0.2212 -0.3310
+  174CLA    CLA 2005   1.894   6.466   6.804  0.1163 -0.0901  0.1559
+  175CLA    CLA 2006   6.058   1.510   5.779 -0.0037 -0.3273 -0.0722
+  176CLA    CLA 2007   6.483   1.088   5.956 -0.5644 -0.0740 -0.2564
+  177CLA    CLA 2008   5.010   6.012   3.045  0.2060 -0.2227 -0.2262
+  178CLA    CLA 2009   5.096   5.644   6.243  0.2310  0.1695  0.2258
+  179CLA    CLA 2010   2.097   2.184   3.012  0.2840  0.2334 -0.3876
+  180CLA    CLA 2011   0.721   4.057   1.751 -0.4842  0.4585 -0.0599
+  181CLA    CLA 2012   0.304   3.229   5.765 -0.1084 -0.1471  0.3441
+  182CLA    CLA 2013   5.471   0.050   4.465  0.0734 -0.0032  0.2912
+  183CLA    CLA 2014   1.340   1.256   5.016 -0.1700  0.1579  0.5446
+  184CLA    CLA 2015   4.103   5.575   2.788  0.0137 -0.1191  0.3496
+  185CLA    CLA 2016   0.699   1.644   1.922 -0.3420 -0.3229 -0.0617
+  186CLA    CLA 2017   5.152   4.084   2.703  0.4812 -0.2807  0.1918
+  187CLA    CLA 2018   6.400   2.551   1.481  0.0631 -0.1229 -0.0022
+  188CLA    CLA 2019   2.798   5.336   5.166  0.3465  0.0508 -0.3017
+  189CLA    CLA 2020   6.155   1.846   0.886 -0.0449 -0.1414 -0.3486
+  190CLA    CLA 2021   4.603   5.270   4.320  0.0135  0.7350  0.4471
+  191CLA    CLA 2022   3.141   0.647   6.626 -0.0399 -0.0440  0.0678
+  192TIP3   OH2 2023   6.570   5.233   1.244 -0.0803  0.2410  0.3279
+  192TIP3    H1 2024   6.628   5.187   1.304  0.9514  1.1472  0.0513
+  192TIP3    H2 2025   6.483   5.198   1.262  0.4011 -0.3759  1.4833
+  193TIP3   OH2 2026   0.451   1.069   0.676 -0.1874  0.3546  0.1608
+  193TIP3    H1 2027   0.403   1.149   0.695  0.2114 -0.2828  4.4698
+  193TIP3    H2 2028   0.537   1.099   0.646 -0.3326  1.5359  0.9115
+  194TIP3   OH2 2029   1.101   0.592   2.901  0.4822  0.2758  0.0905
+  194TIP3    H1 2030   1.156   0.520   2.871 -0.5387  0.1885 -1.6816
+  194TIP3    H2 2031   1.142   0.670   2.865  0.4521  0.3825  0.2874
+  195TIP3   OH2 2032   2.104   1.519   6.620 -0.3741  0.5521 -0.1384
+  195TIP3    H1 2033   2.100   1.516   6.524 -1.1422  0.6942 -0.1079
+  195TIP3    H2 2034   2.022   1.560   6.647 -0.5540 -0.2927  0.6282
+  196TIP3   OH2 2035   6.575   1.405   1.327 -0.0971  0.0918  0.3307
+  196TIP3    H1 2036   6.649   1.364   1.371 -0.0135  0.3901  0.4636
+  196TIP3    H2 2037   6.519   1.436   1.397 -0.3642 -0.1571  0.2308
+  197TIP3   OH2 2038   2.708   0.231   6.195 -0.2866 -0.4302  0.1653
+  197TIP3    H1 2039   2.645   0.290   6.238  1.4780 -0.0303  2.2887
+  197TIP3    H2 2040   2.663   0.202   6.115 -2.1913  1.7703  0.3866
+  198TIP3   OH2 2041   1.953   6.637   1.216  0.6474 -0.0883 -0.4090
+  198TIP3    H1 2042   1.858   6.627   1.213  0.7967 -1.2647 -1.5945
+  198TIP3    H2 2043   1.974   6.696   1.145  0.8852 -0.5508 -0.7272
+  199TIP3   OH2 2044   2.930   2.373   0.788  0.7840  0.2005  0.0869
+  199TIP3    H1 2045   2.887   2.394   0.871  1.3153  1.2402  0.1034
+  199TIP3    H2 2046   2.998   2.439   0.779  0.9064 -0.0725 -1.0512
+  200TIP3   OH2 2047   0.646   3.237   1.617  0.0690 -0.4960  0.3256
+  200TIP3    H1 2048   0.679   3.151   1.589 -0.5346 -0.2979 -1.0183
+  200TIP3    H2 2049   0.695   3.300   1.564 -1.3210 -0.1264 -0.5340
+  201TIP3   OH2 2050   1.499   0.423   0.148 -0.0592  0.0782  0.1265
+  201TIP3    H1 2051   1.465   0.510   0.126 -0.6213 -0.2264 -0.2244
+  201TIP3    H2 2052   1.423   0.366   0.144  0.4767 -0.6035 -0.6106
+  202TIP3   OH2 2053   0.108   1.011   2.700  0.5271 -0.2576 -0.0712
+  202TIP3    H1 2054   0.021   0.976   2.683  0.6219 -0.4977 -0.0678
+  202TIP3    H2 2055   0.122   0.994   2.793 -0.3922  1.9325  0.5143
+  203TIP3   OH2 2056   5.994   4.659   3.205 -0.5102 -0.4550 -0.2078
+  203TIP3    H1 2057   5.972   4.704   3.287 -0.5600  0.0914 -0.5219
+  203TIP3    H2 2058   5.909   4.628   3.171 -0.6409  0.4536 -0.7167
+  204TIP3   OH2 2059   1.542   0.391   1.326  0.2650  0.1417  0.2318
+  204TIP3    H1 2060   1.467   0.335   1.306  0.2909  0.9687 -2.4087
+  204TIP3    H2 2061   1.503   0.472   1.359  0.1781 -0.8298  2.6202
+  205TIP3   OH2 2062   1.647   2.144   1.101 -0.2276 -0.4630 -0.9235
+  205TIP3    H1 2063   1.733   2.108   1.079  0.5956 -0.6779  2.2639
+  205TIP3    H2 2064   1.667   2.227   1.144 -1.6971  0.2257 -1.5697
+  206TIP3   OH2 2065   1.914   1.804   0.699 -0.3410 -0.5561 -0.0577
+  206TIP3    H1 2066   1.939   1.775   0.786  0.6906  0.5227  0.0171
+  206TIP3    H2 2067   1.914   1.724   0.646  1.9768 -0.7912  0.2425
+  207TIP3   OH2 2068   3.738   1.495   2.325 -0.2158 -0.3875 -0.6382
+  207TIP3    H1 2069   3.657   1.541   2.305 -0.7769 -0.8324  0.5611
+  207TIP3    H2 2070   3.801   1.564   2.346 -0.6168 -0.0922 -0.3963
+  208TIP3   OH2 2071   0.399   6.909   0.287 -0.2015  0.5592 -0.8436
+  208TIP3    H1 2072   0.472   6.847   0.282 -0.0543  0.6549  0.0359
+  208TIP3    H2 2073   0.381   6.933   0.196  1.1748  0.8956 -1.0357
+  209TIP3   OH2 2074   1.231   6.105   6.859 -0.5502  0.6737  0.2246
+  209TIP3    H1 2075   1.170   6.042   6.898  0.2350 -0.0004  0.3862
+  209TIP3    H2 2076   1.187   6.189   6.866 -1.0948  0.3180  1.1386
+  210TIP3   OH2 2077   1.168   6.685   1.971  0.5778  0.4724 -0.3365
+  210TIP3    H1 2078   1.138   6.630   2.043  3.9542 -0.5481  0.3903
+  210TIP3    H2 2079   1.153   6.775   2.002 -1.5529  0.0072  0.0177
+  211TIP3   OH2 2080   0.150   0.455   1.560 -0.1182  0.1224  0.4699
+  211TIP3    H1 2081   0.188   0.420   1.479  0.7941 -0.8659  1.3284
+  211TIP3    H2 2082   0.150   0.550   1.546  1.6211  0.0659 -0.0053
+  212TIP3   OH2 2083   2.420   1.481   1.344  0.0077  0.3783 -0.8457
+  212TIP3    H1 2084   2.353   1.424   1.307  0.0805  0.1463 -0.6263
+  212TIP3    H2 2085   2.443   1.541   1.273 -1.4560  1.3934 -0.4655
+  213TIP3   OH2 2086   2.128   0.019   2.228  0.8183 -0.1538  0.2797
+  213TIP3    H1 2087   2.108   0.098   2.278  0.1237  0.0023 -0.2471
+  213TIP3    H2 2088   2.194  -0.026   2.281  0.2337  0.1093  1.2411
+  214TIP3   OH2 2089   0.935   5.140   2.747 -0.5724 -0.2841  0.0642
+  214TIP3    H1 2090   1.016   5.167   2.704  0.6220 -2.5903  0.8095
+  214TIP3    H2 2091   0.900   5.221   2.785  0.9567  0.8724 -0.9217
+  215TIP3   OH2 2092   0.644   3.187   5.396  0.2683 -0.6377 -0.8312
+  215TIP3    H1 2093   0.706   3.114   5.405  1.4678  0.1923 -2.2072
+  215TIP3    H2 2094   0.649   3.232   5.481 -0.5092 -2.1489  0.0416
+  216TIP3   OH2 2095   1.310   0.125   1.891  0.1973  0.2903  0.9362
+  216TIP3    H1 2096   1.234   0.135   1.833 -1.3503  1.4739  3.0901
+  216TIP3    H2 2097   1.383   0.107   1.832 -1.8247 -1.2908 -1.1475
+  217TIP3   OH2 2098   6.627   5.466   0.713 -0.7229  0.1849 -0.4553
+  217TIP3    H1 2099   6.543   5.512   0.720 -0.7248  0.2731 -1.0495
+  217TIP3    H2 2100   6.613   5.400   0.645 -0.6973 -0.6628  0.3414
+  218TIP3   OH2 2101   2.156   1.441   0.204  0.1902  0.3490  0.1987
+  218TIP3    H1 2102   2.213   1.446   0.282  0.8841 -0.7373 -0.2262
+  218TIP3    H2 2103   2.071   1.416   0.239  0.9582 -2.1129  0.4467
+  219TIP3   OH2 2104   1.413   1.941   0.622  0.1305  0.0613  0.2897
+  219TIP3    H1 2105   1.376   1.875   0.680 -3.4375  1.2234 -0.5656
+  219TIP3    H2 2106   1.433   1.893   0.542  1.2617 -0.7252  1.0189
+  220TIP3   OH2 2107   2.798   3.764   1.363  0.2589 -0.0788 -0.0657
+  220TIP3    H1 2108   2.796   3.859   1.372  1.7197 -0.0609  0.1557
+  220TIP3    H2 2109   2.886   3.739   1.390 -1.1828 -1.8636  3.3983
+  221TIP3   OH2 2110   0.483   6.693   6.197  0.0254 -0.1623  0.1069
+  221TIP3    H1 2111   0.396   6.683   6.158 -1.0301  0.7295  2.1565
+  221TIP3    H2 2112   0.519   6.604   6.198 -0.7783 -0.5059 -0.9361
+  222TIP3   OH2 2113   1.395   2.466   6.069 -0.6114  0.2157  0.7196
+  222TIP3    H1 2114   1.355   2.408   6.005 -0.1961 -1.2216  1.7104
+  222TIP3    H2 2115   1.482   2.485   6.033 -0.0881 -1.2005  1.1793
+  223TIP3   OH2 2116   6.789   0.715   1.209  0.2493  0.4342 -0.6420
+  223TIP3    H1 2117   6.729   0.642   1.223 -1.5638  1.9745 -0.2097
+  223TIP3    H2 2118   6.874   0.673   1.192 -0.9601 -1.7844 -1.4586
+  224TIP3   OH2 2119   6.104   2.171   6.086  0.0162 -0.2025 -0.1677
+  224TIP3    H1 2120   6.119   2.100   6.149 -1.9939  0.8721  1.6154
+  224TIP3    H2 2121   6.008   2.176   6.079  0.1507  1.9441 -0.7262
+  225TIP3   OH2 2122   1.058   1.310   1.218  0.1526 -0.2856  1.1141
+  225TIP3    H1 2123   1.138   1.259   1.205  0.2654 -0.0558  0.8990
+  225TIP3    H2 2124   1.086   1.387   1.268 -0.1719 -0.8600  2.1979
+  226TIP3   OH2 2125   0.980   3.691   2.212 -0.9130  0.2426  0.2291
+  226TIP3    H1 2126   0.925   3.634   2.159 -0.3760 -0.1742  0.1139
+  226TIP3    H2 2127   0.933   3.775   2.214 -0.8198  0.3373 -1.1206
+  227TIP3   OH2 2128   0.696   1.823   1.687  0.3351 -0.2916  0.0390
+  227TIP3    H1 2129   0.693   1.764   1.763 -2.0828 -0.9513 -0.5157
+  227TIP3    H2 2130   0.772   1.794   1.637  0.1739 -1.8319  0.6667
+  228TIP3   OH2 2131   0.554   2.755   6.549  0.2070  0.0342  0.7889
+  228TIP3    H1 2132   0.549   2.832   6.492  0.0559 -0.0194  0.7293
+  228TIP3    H2 2133   0.575   2.792   6.635 -0.3429  0.1878  0.8588
+  229TIP3   OH2 2134   2.150   0.628   0.293  0.4611  0.2295  0.2932
+  229TIP3    H1 2135   2.219   0.681   0.251  0.0815 -1.1878 -2.1910
+  229TIP3    H2 2136   2.183   0.538   0.287 -1.9829 -0.5799 -1.7890
+  230TIP3   OH2 2137   0.368   1.375   0.384 -0.4359  0.1637  0.3972
+  230TIP3    H1 2138   0.334   1.327   0.308  0.1731  0.3052  0.0352
+  230TIP3    H2 2139   0.457   1.342   0.396 -0.6372 -0.0792  1.2411
+  231TIP3   OH2 2140   5.811   6.001   1.816  0.9685  0.4437  0.0823
+  231TIP3    H1 2141   5.728   5.995   1.862  2.0363 -0.7179  1.9268
+  231TIP3    H2 2142   5.844   6.088   1.839  0.8833  0.3756  0.4803
+  232TIP3   OH2 2143   4.148   1.879   0.182 -0.1510 -0.2592  0.0210
+  232TIP3    H1 2144   4.053   1.867   0.177 -0.1452 -0.8266  1.1668
+  232TIP3    H2 2145   4.159   1.952   0.242  0.0177  2.2614 -2.9501
+  233TIP3   OH2 2146   4.151   4.572   1.421 -0.1096 -0.2556 -0.4326
+  233TIP3    H1 2147   4.211   4.541   1.488 -1.0882 -0.9710  0.1158
+  233TIP3    H2 2148   4.200   4.640   1.375  0.8707 -0.3564  0.4478
+  234TIP3   OH2 2149   1.676   6.214   2.138  0.7649  0.7455  0.3386
+  234TIP3    H1 2150   1.713   6.265   2.066  1.9038  0.7211  0.8933
+  234TIP3    H2 2151   1.588   6.190   2.108  0.9799  1.2971 -0.7617
+  235TIP3   OH2 2152   0.698   0.018   1.729 -0.0255 -0.2824  0.0045
+  235TIP3    H1 2153   0.791   0.017   1.704 -0.7084 -0.1825 -2.6560
+  235TIP3    H2 2154   0.655   0.064   1.657 -1.9976  0.7776  1.8195
+  236TIP3   OH2 2155   1.426   2.668   1.051 -0.6692  0.1540  0.4427
+  236TIP3    H1 2156   1.452   2.597   1.109 -1.0153 -0.2129  0.1550
+  236TIP3    H2 2157   1.403   2.624   0.968 -2.4996  0.4303  0.7781
+  237TIP3   OH2 2158   5.377   1.437   0.810 -0.1620  0.5975  0.1504
+  237TIP3    H1 2159   5.414   1.502   0.751  1.0869  0.1222  0.4022
+  237TIP3    H2 2160   5.452   1.405   0.861 -0.8395 -0.6912  0.3583
+  238TIP3   OH2 2161   1.728   0.896   6.193  0.0766  0.2361  0.1819
+  238TIP3    H1 2162   1.643   0.914   6.233 -1.0889 -1.6637 -1.3379
+  238TIP3    H2 2163   1.780   0.975   6.210 -2.0219  1.4789  1.0302
+  239TIP3   OH2 2164   6.845   0.869   3.621 -0.4866  0.0680 -0.0921
+  239TIP3    H1 2165   6.803   0.836   3.541  0.3474 -1.2938  0.0126
+  239TIP3    H2 2166   6.902   0.940   3.592 -0.2983 -0.3274 -0.6921
+  240TIP3   OH2 2167   6.875   3.420   1.294  0.2128 -0.3704 -0.0309
+  240TIP3    H1 2168   6.934   3.432   1.368 -0.2154  0.4752  0.1789
+  240TIP3    H2 2169   6.825   3.342   1.315  0.9710 -0.8511 -0.0155
+  241TIP3   OH2 2170   2.543   3.509   0.478 -0.0025  0.0633  0.5301
+  241TIP3    H1 2171   2.491   3.582   0.512  0.8871  1.5538 -1.2162
+  241TIP3    H2 2172   2.481   3.456   0.429 -0.9760 -1.2524  3.1050
+  242TIP3   OH2 2173   0.861   3.716   6.059 -0.1175  0.4274  0.1120
+  242TIP3    H1 2174   0.945   3.731   6.017 -0.5663  2.7435 -0.0438
+  242TIP3    H2 2175   0.882   3.678   6.145  0.8592 -3.0482 -1.5869
+  243TIP3   OH2 2176   2.733   1.610   0.180 -0.6150  0.0174 -0.1203
+  243TIP3    H1 2177   2.673   1.535   0.180  0.6754 -1.0302  0.4618
+  243TIP3    H2 2178   2.804   1.583   0.122  0.0789  0.6138  0.4499
+  244TIP3   OH2 2179   2.972   2.601   4.783  0.0288  0.1913 -0.5846
+  244TIP3    H1 2180   2.982   2.506   4.778  2.2767  0.3675 -0.0635
+  244TIP3    H2 2181   2.955   2.628   4.694  0.0663 -0.6455 -0.8540
+  245TIP3   OH2 2182   4.751   6.801   5.903  0.1455  0.1237 -0.1021
+  245TIP3    H1 2183   4.807   6.727   5.878  1.8589  0.7747  1.6088
+  245TIP3    H2 2184   4.679   6.761   5.952 -0.3295 -0.6429 -1.4314
+  246TIP3   OH2 2185   1.867   1.940   1.532 -0.3145 -0.6173  0.1820
+  246TIP3    H1 2186   1.925   1.945   1.608 -0.2071  0.2184  0.0505
+  246TIP3    H2 2187   1.920   1.898   1.464 -0.3751 -1.2635  0.5372
+  247TIP3   OH2 2188   2.880   1.034   0.970  0.4676 -0.4328 -0.1106
+  247TIP3    H1 2189   2.800   1.078   0.941  0.2809 -2.2073 -2.4148
+  247TIP3    H2 2190   2.951   1.094   0.947 -0.0276  0.1426 -0.1412
+  248TIP3   OH2 2191   1.040   5.812   3.728 -0.9498 -0.4682  0.0486
+  248TIP3    H1 2192   1.125   5.779   3.759  0.0378  1.9971  0.1165
+  248TIP3    H2 2193   1.032   5.778   3.639  0.2206 -0.5930 -0.0149
+  249TIP3   OH2 2194   0.486   6.160   0.976  0.5492  0.0304  0.2981
+  249TIP3    H1 2195   0.442   6.206   1.047  0.2476  1.1367 -0.5988
+  249TIP3    H2 2196   0.556   6.219   0.948  2.3042 -1.4893  1.3699
+  250TIP3   OH2 2197   0.372   1.813   2.524 -0.0592  0.0610 -0.1146
+  250TIP3    H1 2198   0.394   1.763   2.446  2.2022 -1.4142  1.3959
+  250TIP3    H2 2199   0.343   1.747   2.587 -0.3455  1.0494  0.8017
+  251TIP3   OH2 2200   0.294   1.788   6.200 -0.3727 -0.0078  0.0369
+  251TIP3    H1 2201   0.204   1.756   6.207  0.0653 -1.3089 -0.0970
+  251TIP3    H2 2202   0.328   1.782   6.289 -0.2480 -0.0555 -0.0134
+  252TIP3   OH2 2203   0.537   0.921   1.307 -0.0420 -0.1351  0.3063
+  252TIP3    H1 2204   0.625   0.887   1.290  0.5456  1.1992  0.5370
+  252TIP3    H2 2205   0.540   1.011   1.274 -1.6816 -0.4359 -0.7292
+  253TIP3   OH2 2206   2.090   1.397   1.724 -0.0194  0.5317  0.0805
+  253TIP3    H1 2207   2.046   1.365   1.803  0.3092 -1.0626 -0.3630
+  253TIP3    H2 2208   2.171   1.346   1.719  0.9591  2.0721 -0.1753
+  254TIP3   OH2 2209   0.545   6.458   0.726  0.3060  0.2263  0.3521
+  254TIP3    H1 2210   0.541   6.369   0.692  0.2726  0.4812 -0.3321
+  254TIP3    H2 2211   0.636   6.485   0.712 -0.4038  1.4197 -2.4191
+  255TIP3   OH2 2212   0.271   5.357   0.992 -0.0533 -0.2689 -0.1673
+  255TIP3    H1 2213   0.227   5.432   0.953  0.3098  0.2115  0.3485
+  255TIP3    H2 2214   0.223   5.339   1.072 -0.5800 -1.0384 -0.6393
+  256TIP3   OH2 2215   0.756   0.914   1.933  0.5228 -0.6312 -0.4334
+  256TIP3    H1 2216   0.811   0.951   1.864  0.2837  2.7791  1.1116
+  256TIP3    H2 2217   0.814   0.854   1.980  1.7068 -0.3225 -1.4735
+  257TIP3   OH2 2218   0.112   5.685   6.860  0.3608  0.3511  0.7739
+  257TIP3    H1 2219   0.044   5.618   6.865 -0.6682  1.3194  0.0124
+  257TIP3    H2 2220   0.121   5.703   6.767  1.7093  0.1990  0.8638
+  258TIP3   OH2 2221   0.334   0.707   0.130  0.6450 -0.0089 -0.1335
+  258TIP3    H1 2222   0.339   0.660   0.046  0.2856  1.2184 -0.8501
+  258TIP3    H2 2223   0.424   0.705   0.164  0.7076 -0.8837 -0.3353
+  259TIP3   OH2 2224   1.214   4.782   0.259  0.8510  0.0810 -0.5087
+  259TIP3    H1 2225   1.199   4.691   0.234  0.1994 -0.2778  1.1569
+  259TIP3    H2 2226   1.309   4.793   0.256  0.8900 -0.4838 -1.2886
+  260TIP3   OH2 2227   1.073   2.779   0.374 -0.1413 -0.4554  0.2517
+  260TIP3    H1 2228   1.130   2.733   0.435  0.3417 -0.7547 -0.4183
+  260TIP3    H2 2229   1.084   2.872   0.395  0.4085 -0.5299  0.2910
+  261TIP3   OH2 2230   5.158   6.431   6.508 -0.4807 -0.2633  0.2041
+  261TIP3    H1 2231   5.211   6.359   6.542 -0.5327 -0.7055 -0.6376
+  261TIP3    H2 2232   5.165   6.423   6.413 -1.5696  0.0469  0.0901
+  262TIP3   OH2 2233   0.894   2.298   0.087  0.1011 -0.1015 -0.6503
+  262TIP3    H1 2234   0.825   2.245   0.127 -0.3733  1.0754  0.1113
+  262TIP3    H2 2235   0.858   2.386   0.083  0.7905  0.1337 -2.1468
+  263TIP3   OH2 2236   3.138   1.487   5.234 -0.3746 -0.1465 -0.1573
+  263TIP3    H1 2237   3.113   1.565   5.184  0.6080 -1.0169 -2.0499
+  263TIP3    H2 2238   3.060   1.431   5.232 -0.2263 -0.3360 -1.0647
+  264TIP3   OH2 2239   1.955   1.672   2.028 -0.1239  0.0387  0.0718
+  264TIP3    H1 2240   1.934   1.685   1.936 -0.3232  0.0067  0.1110
+  264TIP3    H2 2241   1.878   1.626   2.064 -0.3057  0.5868  0.3871
+  265TIP3   OH2 2242   0.864   1.598   0.507 -0.0388 -0.5231 -0.0401
+  265TIP3    H1 2243   0.912   1.643   0.577  0.8875  0.0909 -1.0639
+  265TIP3    H2 2244   0.779   1.643   0.505 -0.1170 -0.6217  0.7682
+  266TIP3   OH2 2245   0.351   1.910   0.408 -0.2352  0.4857 -0.2700
+  266TIP3    H1 2246   0.290   1.888   0.337 -0.8124 -2.0428  0.9797
+  266TIP3    H2 2247   0.318   1.863   0.484  1.9079  1.0576  1.0488
+  267TIP3   OH2 2248   0.240   6.689   0.439 -0.6766  0.1164 -0.0900
+  267TIP3    H1 2249   0.234   6.654   0.351  0.6445  0.5744 -0.3754
+  267TIP3    H2 2250   0.245   6.783   0.428 -0.5987  0.1833  0.4705
+  268TIP3   OH2 2251   0.965   1.114   0.822 -0.1594 -0.2257 -0.3203
+  268TIP3    H1 2252   1.014   1.048   0.772  0.8190  1.0222 -1.0510
+  268TIP3    H2 2253   1.012   1.196   0.805 -2.2053  0.9133 -0.6135
+  269TIP3   OH2 2254   2.602   1.795   5.762  0.5289 -0.4939  0.1073
+  269TIP3    H1 2255   2.652   1.759   5.835  0.8581  1.6592  0.9988
+  269TIP3    H2 2256   2.590   1.722   5.702  1.1545 -2.0501  1.8350
+  270TIP3   OH2 2257   1.897   2.746   1.523  0.4827  0.4476  0.7874
+  270TIP3    H1 2258   1.978   2.785   1.492 -1.6670  2.8243 -2.1582
+  270TIP3    H2 2259   1.831   2.772   1.459 -2.1858 -3.4786  1.6981
+  271TIP3   OH2 2260   2.336   5.752   2.229  0.4088 -0.3061 -0.2843
+  271TIP3    H1 2261   2.340   5.692   2.154  1.3109  1.0254 -1.3047
+  271TIP3    H2 2262   2.252   5.796   2.220 -0.2172 -1.3192  0.4183
+  272TIP3   OH2 2263   1.380   1.824   2.837  0.2396 -0.2087  0.0909
+  272TIP3    H1 2264   1.293   1.784   2.838  1.0595 -2.0411  1.4819
+  272TIP3    H2 2265   1.426   1.780   2.767  0.5559 -0.3938  0.4127
+  273TIP3   OH2 2266   0.137   2.634   0.228  0.8082 -0.6440  0.2891
+  273TIP3    H1 2267   0.185   2.599   0.153 -1.7319  1.4083 -2.4442
+  273TIP3    H2 2268   0.054   2.588   0.228 -0.2440  1.1807  0.2046
+  274TIP3   OH2 2269   1.675   1.040   6.683  0.1881  0.3306  0.0795
+  274TIP3    H1 2270   1.602   1.102   6.683 -0.1379 -0.0469  0.3553
+  274TIP3    H2 2271   1.655   0.980   6.611 -0.4530 -0.5498  0.9722
+  275TIP3   OH2 2272   6.799   1.027   0.747  0.4627 -0.2930 -0.0889
+  275TIP3    H1 2273   6.765   1.035   0.836  1.9005  1.1109  0.3526
+  275TIP3    H2 2274   6.875   0.970   0.756 -0.2191 -1.3258 -0.6739
+  276TIP3   OH2 2275   0.160   0.406   0.450 -0.2368  0.4660 -0.1880
+  276TIP3    H1 2276   0.194   0.469   0.512 -2.2858  2.0623 -0.6280
+  276TIP3    H2 2277   0.086   0.364   0.495 -1.8333  1.7411 -1.5444
+  277TIP3   OH2 2278   1.546   1.756   1.973  0.7525  0.1330 -0.7072
+  277TIP3    H1 2279   1.473   1.818   1.980 -0.0823 -0.7012 -1.8090
+  277TIP3    H2 2280   1.579   1.768   1.884  1.7587  0.2757 -0.3215
+  278TIP3   OH2 2281   2.143   2.064   1.395 -0.0035 -0.4582  0.0798
+  278TIP3    H1 2282   2.219   2.070   1.453  1.5115 -1.1462 -1.7840
+  278TIP3    H2 2283   2.120   1.971   1.393 -0.7126 -0.2942  0.4018
+  279TIP3   OH2 2284   3.029   3.153   1.077 -0.3611  0.5482 -0.0706
+  279TIP3    H1 2285   2.998   3.204   1.153  0.2345  1.9012 -0.7135
+  279TIP3    H2 2286   3.060   3.219   1.015 -0.4645 -0.5697 -1.3380
+  280TIP3   OH2 2287   1.597   0.464   1.070 -0.4902  0.3680  0.2778
+  280TIP3    H1 2288   1.570   0.423   1.153  0.1972 -0.0524  0.3004
+  280TIP3    H2 2289   1.566   0.554   1.076 -0.6956  0.2577  0.8764
+  281TIP3   OH2 2290   1.924   1.416   6.151 -0.7462  0.1265  0.0835
+  281TIP3    H1 2291   1.993   1.462   6.104 -1.3982  1.8397  0.7932
+  281TIP3    H2 2292   1.971   1.351   6.205  0.3279  1.4974  0.8243
+  282TIP3   OH2 2293   6.784   1.597   2.025  0.1306  0.7875 -0.0797
+  282TIP3    H1 2294   6.847   1.524   2.020 -1.3000 -0.4777 -0.1295
+  282TIP3    H2 2295   6.838   1.675   2.027  1.7312 -0.3046  0.5159
+  283TIP3   OH2 2296   1.535   6.395   0.251  0.1419  0.4340 -0.4414
+  283TIP3    H1 2297   1.615   6.428   0.212 -0.2830  1.1931 -0.6883
+  283TIP3    H2 2298   1.503   6.329   0.190  1.1511 -0.6817  0.1975
+  284TIP3   OH2 2299   0.770   0.596   2.285 -0.0284  0.1073  0.0579
+  284TIP3    H1 2300   0.767   0.519   2.342 -1.9171 -0.1499 -0.3477
+  284TIP3    H2 2301   0.687   0.594   2.237  0.0646  2.1678 -0.2638
+  285TIP3   OH2 2302   6.268   2.534   2.747  0.1247  0.5556  0.2216
+  285TIP3    H1 2303   6.338   2.592   2.775  2.2695 -2.1769  0.6676
+  285TIP3    H2 2304   6.243   2.486   2.826  0.0720 -0.8594 -0.6362
+  286TIP3   OH2 2305   2.350   3.792   5.381 -0.0694  1.0475  0.5297
+  286TIP3    H1 2306   2.310   3.713   5.418 -2.3169  0.9790 -1.8781
+  286TIP3    H2 2307   2.374   3.845   5.457  0.1820 -1.3095  2.1458
+  287TIP3   OH2 2308   0.416   1.597   1.762  0.4392  0.3003 -0.1393
+  287TIP3    H1 2309   0.405   1.507   1.791 -0.7586  1.5814  3.6993
+  287TIP3    H2 2310   0.502   1.623   1.796  0.2598  0.9851 -0.2025
+  288TIP3   OH2 2311   1.167   3.352   0.790 -0.3334 -0.2307 -0.0301
+  288TIP3    H1 2312   1.164   3.397   0.706  0.6911 -0.9761 -0.4773
+  288TIP3    H2 2313   1.096   3.287   0.786 -0.9301  0.4073  0.0843
+  289TIP3   OH2 2314   0.568   1.247   2.355 -0.3900 -0.1945 -0.0222
+  289TIP3    H1 2315   0.519   1.182   2.304  0.2515 -0.8959  0.2519
+  289TIP3    H2 2316   0.513   1.264   2.431 -0.0343 -1.2815  0.4862
+  290TIP3   OH2 2317   0.766   3.976   6.165  0.4054 -0.1030 -0.7809
+  290TIP3    H1 2318   0.764   3.899   6.108 -1.4240 -0.3974 -0.3354
+  290TIP3    H2 2319   0.859   3.994   6.176  0.8200 -0.7183 -2.9555
+  291TIP3   OH2 2320   5.174   5.643   6.684  0.0898 -0.0948  0.0120
+  291TIP3    H1 2321   5.205   5.726   6.647  1.0000  0.0296  1.0461
+  291TIP3    H2 2322   5.252   5.588   6.689 -0.3901 -0.7846 -0.0442
+  292TIP3   OH2 2323   4.057   1.293   2.224 -0.3621  0.2001 -0.0887
+  292TIP3    H1 2324   4.020   1.330   2.144  1.3884  1.7329 -0.2421
+  292TIP3    H2 2325   3.982   1.272   2.279 -1.6225 -1.6668 -2.4596
+  293TIP3   OH2 2326   0.680   1.174   0.536  0.0640  0.8003  0.0336
+  293TIP3    H1 2327   0.635   1.175   0.452  0.7667 -0.4123 -0.3755
+  293TIP3    H2 2328   0.755   1.232   0.524 -0.4963  1.5769  0.2188
+  294TIP3   OH2 2329   6.413   6.172   1.852  0.5788  0.6527 -0.3201
+  294TIP3    H1 2330   6.362   6.112   1.798 -0.7039  0.1963  1.3549
+  294TIP3    H2 2331   6.425   6.126   1.935  0.7964  2.1246  0.4884
+  295TIP3   OH2 2332   4.320   1.175   0.105  0.0626  0.2141  0.3734
+  295TIP3    H1 2333   4.256   1.127   0.052  0.5692  0.7264 -0.7398
+  295TIP3    H2 2334   4.378   1.108   0.139 -0.1930 -0.1126  0.1689
+  296TIP3   OH2 2335   0.851   2.099   5.918 -0.3559 -0.2503 -0.1056
+  296TIP3    H1 2336   0.813   2.014   5.936 -2.8060  0.5272 -1.3452
+  296TIP3    H2 2337   0.898   2.087   5.835 -0.5451 -0.4515 -0.1851
+  297TIP3   OH2 2338   6.044   6.281   2.457  0.0371  0.5850  0.2498
+  297TIP3    H1 2339   6.072   6.352   2.515  0.8148  1.6638 -1.3972
+  297TIP3    H2 2340   6.060   6.315   2.369 -1.0359 -1.0527 -0.6008
+  298TIP3   OH2 2341   0.172   6.519   1.034  0.1222  0.2156 -0.3948
+  298TIP3    H1 2342   0.255   6.542   0.994 -1.3307  1.9521 -2.5531
+  298TIP3    H2 2343   0.149   6.435   0.995  2.6596 -2.2679  3.1509
+  299TIP3   OH2 2344   6.254   6.551   0.843  0.8223 -0.2965  0.2851
+  299TIP3    H1 2345   6.193   6.526   0.913  1.0643 -2.1043 -0.1148
+  299TIP3    H2 2346   6.282   6.467   0.806  3.5291  0.5255  0.4247
+  300TIP3   OH2 2347   6.603   6.714   1.459  0.1301  0.6082  0.4593
+  300TIP3    H1 2348   6.518   6.695   1.420  0.6261  0.1588 -0.4324
+  300TIP3    H2 2349   6.600   6.674   1.546 -0.5562  0.5664  0.4157
+  301TIP3   OH2 2350   0.813   6.349   1.212  0.4915  0.2312  0.5982
+  301TIP3    H1 2351   0.739   6.405   1.237  1.0456  1.3459 -0.2048
+  301TIP3    H2 2352   0.831   6.297   1.290 -0.6185  0.5327  1.0683
+  302TIP3   OH2 2353   2.452   1.089   1.101  0.5164 -0.0887  0.5663
+  302TIP3    H1 2354   2.485   1.106   1.013  0.0678  1.8943  0.7556
+  302TIP3    H2 2355   2.514   1.134   1.159  0.4590 -0.8578  1.2460
+  303TIP3   OH2 2356   6.668   1.832   0.368  0.1682 -0.6779 -0.1318
+  303TIP3    H1 2357   6.629   1.820   0.454 -1.6415 -2.1748 -1.1466
+  303TIP3    H2 2358   6.761   1.847   0.386 -0.4357  0.4599  2.1450
+  304TIP3   OH2 2359   1.640   5.256   2.106  0.0927  0.3138 -0.3059
+  304TIP3    H1 2360   1.562   5.245   2.051 -0.1940  0.0189  0.1479
+  304TIP3    H2 2361   1.713   5.236   2.048 -0.2316 -0.4667 -0.4632
+  305TIP3   OH2 2362   2.210   0.355   0.332  0.1073  0.0833 -0.0060
+  305TIP3    H1 2363   2.148   0.309   0.388  0.1255  0.8769  0.6795
+  305TIP3    H2 2364   2.227   0.295   0.260 -1.6085 -0.0645 -0.3028
+  306TIP3   OH2 2365   1.397   3.301   5.765  0.8200 -0.3331  0.0490
+  306TIP3    H1 2366   1.408   3.220   5.814  1.8279  0.7657  1.7029
+  306TIP3    H2 2367   1.410   3.370   5.830 -0.2777  1.1541 -1.2759
+  307TIP3   OH2 2368   1.497   0.169   1.696 -0.2647 -0.0632 -0.2464
+  307TIP3    H1 2369   1.439   0.239   1.670 -0.3240 -0.5388 -1.4222
+  307TIP3    H2 2370   1.584   0.209   1.697 -0.4969  0.4337  0.6972
+  308TIP3   OH2 2371   3.622   2.365   6.696 -0.1519  0.2028 -0.7176
+  308TIP3    H1 2372   3.575   2.447   6.710 -0.6781 -0.6340  2.8815
+  308TIP3    H2 2373   3.615   2.318   6.779  1.2062 -2.9669 -2.2843
+  309TIP3   OH2 2374   2.394   1.547   0.814 -0.0838  0.2095  0.1591
+  309TIP3    H1 2375   2.487   1.522   0.810  0.2691  1.5211  0.0360
+  309TIP3    H2 2376   2.349   1.476   0.768  0.9334 -0.0868 -0.4127
+  310TIP3   OH2 2377   0.514   2.262   6.014  0.6310 -0.4575  0.7954
+  310TIP3    H1 2378   0.463   2.343   6.002  1.9596  0.1947 -0.6137
+  310TIP3    H2 2379   0.448   2.194   6.025 -0.5202  0.7250  1.3514
+  311TIP3   OH2 2380   6.181   1.998   6.301 -0.0201 -0.3206 -0.6220
+  311TIP3    H1 2381   6.154   1.906   6.302 -0.5510 -0.1853 -1.9665
+  311TIP3    H2 2382   6.145   2.034   6.383 -0.9170 -0.9938 -0.7127
+  312TIP3   OH2 2383   0.087   2.291   3.523 -0.7947  0.2148 -0.3267
+  312TIP3    H1 2384   0.167   2.272   3.473 -0.8835 -0.5715 -0.1888
+  312TIP3    H2 2385   0.026   2.327   3.459 -0.3220  0.8398 -0.4278
+  313TIP3   OH2 2386   1.485   1.641   6.423 -0.3746  0.7146 -0.1100
+  313TIP3    H1 2387   1.541   1.612   6.350  0.8109  2.8276 -0.0815
+  313TIP3    H2 2388   1.409   1.682   6.380 -0.5940  0.2591 -0.1551
+  314TIP3   OH2 2389   1.014   1.515   1.983  0.1647  0.0101 -0.0161
+  314TIP3    H1 2390   1.081   1.513   1.915  0.8268 -0.3246  0.6421
+  314TIP3    H2 2391   0.946   1.572   1.948  0.0096 -0.9984 -1.4177
+  315TIP3   OH2 2392   2.781   2.130   6.096  0.4625  0.2284  0.6817
+  315TIP3    H1 2393   2.801   2.172   6.012  0.2819  0.5991  0.8245
+  315TIP3    H2 2394   2.863   2.085   6.120 -0.2105 -1.8591 -0.8393
+  316TIP3   OH2 2395   0.555   2.553   2.586 -0.1257 -0.3053 -0.2571
+  316TIP3    H1 2396   0.643   2.538   2.620  0.5026  1.0139 -1.2229
+  316TIP3    H2 2397   0.502   2.572   2.663  0.8722  0.8042  0.1786
+  317TIP3   OH2 2398   1.111   6.159   0.560  0.1771  0.7476  0.7726
+  317TIP3    H1 2399   1.143   6.246   0.583  0.1330  0.7132  0.9616
+  317TIP3    H2 2400   1.016   6.167   0.556  0.2904  1.2970 -1.5843
+  318TIP3   OH2 2401   0.454   2.417   3.006  0.1191  0.1452 -0.1895
+  318TIP3    H1 2402   0.547   2.393   3.016  0.6017  0.5358 -3.0957
+  318TIP3    H2 2403   0.455   2.492   2.946 -2.0248  0.8459  0.6105
+  319TIP3   OH2 2404   1.133   0.671  -0.010 -0.2545 -0.1774 -0.1859
+  319TIP3    H1 2405   1.048   0.649   0.028  0.5488  0.2928  1.9307
+  319TIP3    H2 2406   1.156   0.755   0.029  1.4938 -0.6117 -0.2579
+  320TIP3   OH2 2407   0.661   2.468   1.469  0.4860  0.0601  0.1683
+  320TIP3    H1 2408   0.681   2.444   1.379 -0.6168 -0.4910  0.0660
+  320TIP3    H2 2409   0.663   2.564   1.469 -0.8913  0.0967 -0.7698
+  321TIP3   OH2 2410   0.533   1.288   6.171 -0.4708  0.7810  0.0358
+  321TIP3    H1 2411   0.536   1.207   6.222 -1.2150 -0.0692 -1.2393
+  321TIP3    H2 2412   0.453   1.332   6.200 -1.7037 -0.4303 -1.4563
+  322TIP3   OH2 2413   6.585   0.601   6.014 -0.2203  0.1694 -0.3413
+  322TIP3    H1 2414   6.499   0.632   6.043  0.5628  0.2812  1.9540
+  322TIP3    H2 2415   6.568   0.512   5.982 -1.2669  0.3784 -0.4061
+  323TIP3   OH2 2416   0.617   5.940   0.872  0.5114 -0.4109 -0.2005
+  323TIP3    H1 2417   0.561   6.018   0.875  0.1350 -0.6768 -0.3012
+  323TIP3    H2 2418   0.605   5.905   0.784 -0.4326 -1.3913  0.3164
+  324TIP3   OH2 2419   6.854   5.150   0.544 -0.1601  0.1628 -0.0686
+  324TIP3    H1 2420   6.869   5.076   0.603  0.8082  0.1840 -0.2879
+  324TIP3    H2 2421   6.906   5.130   0.466 -0.8292  0.5051 -0.6097
+  325TIP3   OH2 2422   0.352   0.246   2.010  0.5290  0.4536 -0.2775
+  325TIP3    H1 2423   0.429   0.275   1.963  0.4988  1.9319  0.5623
+  325TIP3    H2 2424   0.280   0.296   1.973  0.0532 -0.4944 -0.6542
+  326TIP3   OH2 2425   3.297   3.400   1.141  0.4502 -0.3260  0.3750
+  326TIP3    H1 2426   3.334   3.471   1.194  0.6570 -0.3781  0.3028
+  326TIP3    H2 2427   3.330   3.320   1.182 -0.2767 -0.4029  0.8208
+  327TIP3   OH2 2428   1.842   1.630   6.688 -0.0322  0.0685  0.3218
+  327TIP3    H1 2429   1.809   1.706   6.640 -2.0112 -0.5270  0.7008
+  327TIP3    H2 2430   1.846   1.658   6.779  1.6558  0.5043  0.1319
+  328TIP3   OH2 2431   6.596   6.833   2.714  0.0563  0.0360 -0.1396
+  328TIP3    H1 2432   6.573   6.761   2.772 -0.0217  1.6338  1.8654
+  328TIP3    H2 2433   6.691   6.827   2.704 -0.1665 -1.5346 -1.6555
+  329TIP3   OH2 2434   0.981   0.763   2.098  0.0327  0.3815 -0.2608
+  329TIP3    H1 2435   1.026   0.833   2.145 -0.2679  1.3246 -1.3514
+  329TIP3    H2 2436   0.961   0.698   2.165  1.8826  0.5296  0.4661
+  330TIP3   OH2 2437   3.206   2.850   0.906 -0.0645  0.2157 -0.0026
+  330TIP3    H1 2438   3.259   2.864   0.985 -0.3710  0.9786  0.0743
+  330TIP3    H2 2439   3.196   2.938   0.868 -0.3245 -0.0822 -0.6249
+  331TIP3   OH2 2440   3.756   2.002   2.266 -0.2735 -0.0736  0.2999
+  331TIP3    H1 2441   3.793   2.089   2.249 -2.0048  0.5260 -0.5339
+  331TIP3    H2 2442   3.828   1.941   2.251  0.8924  1.2002  0.6469
+  332TIP3   OH2 2443   1.911   6.115   1.915 -0.0947  0.8824 -0.5213
+  332TIP3    H1 2444   1.846   6.045   1.925  1.9399 -0.8713  1.2212
+  332TIP3    H2 2445   1.981   6.076   1.863  0.8078  1.8132 -0.0314
+  333TIP3   OH2 2446   1.596   0.380   2.863  0.0241 -0.1533  0.0164
+  333TIP3    H1 2447   1.599   0.305   2.922  0.0545 -1.2530 -1.3682
+  333TIP3    H2 2448   1.628   0.346   2.779  0.7584  1.5866 -0.4257
+  334TIP3   OH2 2449   6.887   0.284   6.062 -0.4467  0.5241  0.1877
+  334TIP3    H1 2450   6.856   0.352   6.121  1.2694  1.3362  0.2018
+  334TIP3    H2 2451   6.956   0.327   6.010  0.2654 -1.0345 -0.2052
+  335TIP3   OH2 2452   2.768   1.893   0.044  0.1813  0.2203 -0.1469
+  335TIP3    H1 2453   2.785   1.985   0.063  2.3877 -0.0356 -0.7627
+  335TIP3    H2 2454   2.712   1.895  -0.034 -0.6735  1.0474  0.4751
+  336TIP3   OH2 2455   5.695   0.075   2.213 -0.0783 -0.4772 -0.2190
+  336TIP3    H1 2456   5.742   0.103   2.134 -0.3272 -0.7441 -0.4645
+  336TIP3    H2 2457   5.762   0.075   2.282  0.1122 -0.1225 -0.4025
+  337TIP3   OH2 2458   0.110   6.843   1.117  0.1970 -0.6080 -0.1175
+  337TIP3    H1 2459   0.185   6.889   1.079 -1.1268  0.5760 -1.4115
+  337TIP3    H2 2460   0.057   6.912   1.157  0.8330 -1.6845  2.6417
+  338TIP3   OH2 2461   0.653   2.290   6.804 -0.1685  0.4669 -0.1318
+  338TIP3    H1 2462   0.626   2.339   6.882 -0.7575  0.3261 -0.2461
+  338TIP3    H2 2463   0.595   2.214   6.802  0.1490  0.2300 -0.4549
+  339TIP3   OH2 2464   6.422   3.661   5.587  0.4117  0.6353 -0.0421
+  339TIP3    H1 2465   6.430   3.705   5.502  1.1960 -2.8041 -1.8558
+  339TIP3    H2 2466   6.512   3.636   5.610 -0.0052  0.0310  0.9694
+  340TIP3   OH2 2467   0.529   1.081   6.648  0.0215 -0.1528  0.3256
+  340TIP3    H1 2468   0.520   1.031   6.567  1.4941 -1.3588  0.8936
+  340TIP3    H2 2469   0.612   1.127   6.638 -0.1247  0.2307  0.8653
+  341TIP3   OH2 2470   1.068   2.004   1.879 -0.0734 -0.1834  0.1374
+  341TIP3    H1 2471   1.089   2.048   1.797 -0.5351  0.2210  0.2319
+  341TIP3    H2 2472   1.073   2.074   1.945 -0.9086 -0.2480  0.2741
+  342TIP3   OH2 2473   1.383   2.393   1.138  0.1157 -0.0957  0.2724
+  342TIP3    H1 2474   1.432   2.346   1.205  0.6496 -1.2971 -0.9222
+  342TIP3    H2 2475   1.320   2.329   1.105  0.6900  0.0733 -1.2117
+  343TIP3   OH2 2476   2.315   2.850   0.630  0.3338 -0.2250 -0.0839
+  343TIP3    H1 2477   2.347   2.939   0.645 -0.7440  0.2610 -0.5785
+  343TIP3    H2 2478   2.392   2.800   0.602  0.9828  0.5019  0.3999
+  344TIP3   OH2 2479   2.560   2.123   6.770 -0.4254  0.2507  0.5649
+  344TIP3    H1 2480   2.518   2.165   6.696 -0.5224 -0.9288 -0.0614
+  344TIP3    H2 2481   2.645   2.167   6.778 -0.1564 -0.0427 -0.6421
+  345TIP3   OH2 2482   1.744   1.806   1.221  0.6345 -0.4090  0.1320
+  345TIP3    H1 2483   1.717   1.898   1.214  0.4552 -0.4562  0.2088
+  345TIP3    H2 2484   1.817   1.807   1.282  0.2730 -0.3881  0.5695
+  346TIP3   OH2 2485   2.555   1.131   6.733  0.5780  0.0879  0.7009
+  346TIP3    H1 2486   2.472   1.178   6.742  0.8662  0.6947  0.2038
+  346TIP3    H2 2487   2.547   1.056   6.793 -0.4525 -0.0304  0.4185
+  347TIP3   OH2 2488   5.229   1.232   0.130  0.3554  0.5616  0.1364
+  347TIP3    H1 2489   5.134   1.227   0.138  0.4110 -1.2933 -0.0562
+  347TIP3    H2 2490   5.247   1.323   0.109 -1.5018  0.6223 -1.3145
+  348TIP3   OH2 2491   0.623   1.364   2.946 -0.1331  0.1687 -0.1306
+  348TIP3    H1 2492   0.655   1.450   2.972 -0.3333  0.5910 -1.2453
+  348TIP3    H2 2493   0.573   1.333   3.021  0.4288  0.7713  0.4999
+  349TIP3   OH2 2494   2.421   0.819   0.233  0.1660  0.2755  0.4651
+  349TIP3    H1 2495   2.381   0.826   0.319  0.8501  0.7429  0.7473
+  349TIP3    H2 2496   2.506   0.862   0.242 -0.5683  2.0694 -0.9438
+  350TIP3   OH2 2497   0.837   6.831   6.688 -0.2957 -0.0361  0.2320
+  350TIP3    H1 2498   0.883   6.762   6.641 -0.4010 -0.3573  0.6022
+  350TIP3    H2 2499   0.750   6.835   6.646 -1.0328 -1.5543  1.5785
+  351TIP3   OH2 2500   6.401   0.842   0.446  0.0754  0.2617 -0.1163
+  351TIP3    H1 2501   6.474   0.785   0.469  0.6616  0.9253 -0.3323
+  351TIP3    H2 2502   6.404   0.912   0.512 -0.4803  0.1946 -0.0141
+  352TIP3   OH2 2503   2.059   0.599   1.357 -0.0070  0.0731  0.1440
+  352TIP3    H1 2504   2.152   0.579   1.361 -0.1297 -0.8991 -1.4104
+  352TIP3    H2 2505   2.021   0.527   1.306 -1.3846  1.1966 -0.4474
+  353TIP3   OH2 2506   3.818   6.236   0.879 -0.2868 -0.1230  0.0367
+  353TIP3    H1 2507   3.853   6.270   0.961  0.0274  1.8716 -0.8936
+  353TIP3    H2 2508   3.892   6.192   0.837 -0.7152 -2.1172  1.2804
+  354TIP3   OH2 2509   3.227   6.421   1.358  0.4565 -0.6092 -0.1171
+  354TIP3    H1 2510   3.175   6.479   1.414 -0.2440 -1.0023 -0.3624
+  354TIP3    H2 2511   3.181   6.420   1.275  1.5083 -0.0069 -0.7294
+  355TIP3   OH2 2512   2.613   6.340   6.056  0.2916  0.2210  0.8443
+  355TIP3    H1 2513   2.637   6.358   6.147  0.8007  1.1645  0.5343
+  355TIP3    H2 2514   2.569   6.420   6.026 -0.3667 -0.2933  0.4256
+  356TIP3   OH2 2515   1.140   6.413   0.611  0.0732 -0.0332  0.1985
+  356TIP3    H1 2516   1.094   6.485   0.654 -1.5713 -0.1957 -1.2334
+  356TIP3    H2 2517   1.209   6.456   0.560 -1.9672  0.7725 -2.0367
+  357TIP3   OH2 2518   2.912   6.737   2.833  0.7014  0.3904  0.7006
+  357TIP3    H1 2519   2.995   6.765   2.871  0.0896  1.7621  1.0892
+  357TIP3    H2 2520   2.882   6.812   2.782  1.0649 -1.1109 -1.7869
+  358TIP3   OH2 2521   1.357   1.939   2.056  0.1588 -0.1372 -0.0014
+  358TIP3    H1 2522   1.300   1.931   2.133  0.8139 -2.1081  0.3032
+  358TIP3    H2 2523   1.298   1.967   1.986 -0.9945 -1.0662  0.5757
+  359TIP3   OH2 2524   5.841   1.670   1.513 -0.4274 -0.2436  0.1075
+  359TIP3    H1 2525   5.754   1.648   1.480 -0.5887  0.0111  0.3547
+  359TIP3    H2 2526   5.868   1.593   1.562 -1.7653  0.7686  2.5323
+  360TIP3   OH2 2527   3.253   6.488   6.528  0.1210 -0.2856 -0.6007
+  360TIP3    H1 2528   3.182   6.530   6.576  1.3455 -0.0259  1.0336
+  360TIP3    H2 2529   3.302   6.439   6.595  1.7821 -0.0307 -1.6004
+  361TIP3   OH2 2530   1.075   5.306   1.107 -0.4406 -0.1564  0.1021
+  361TIP3    H1 2531   1.078   5.401   1.120 -2.1223  0.0398 -0.8568
+  361TIP3    H2 2532   1.021   5.274   1.179  0.4471 -0.4356  0.6477
+  362TIP3   OH2 2533   0.303   1.500   6.877  0.3398  0.3582  0.0233
+  362TIP3    H1 2534   0.344   1.420   6.847 -2.1158 -1.4573  1.3289
+  362TIP3    H2 2535   0.326   1.506   6.970 -1.2135  0.0179  0.4457
+  363TIP3   OH2 2536   5.632   1.024   3.766  0.4405 -0.1420  0.1990
+  363TIP3    H1 2537   5.559   0.968   3.792  1.3748 -0.6220  1.9048
+  363TIP3    H2 2538   5.710   0.977   3.798  1.3525  1.3135  0.1615
+  364TIP3   OH2 2539   2.571   6.429   4.204 -0.3213  0.2045 -0.2056
+  364TIP3    H1 2540   2.661   6.424   4.171 -1.1128  0.3889 -2.4758
+  364TIP3    H2 2541   2.581   6.433   4.299  2.0948  0.7059 -0.4320
+  365TIP3   OH2 2542   0.234   0.438   6.319 -0.2026 -0.3161 -0.3618
+  365TIP3    H1 2543   0.147   0.398   6.315 -0.5898  0.2797  1.5708
+  365TIP3    H2 2544   0.238   0.478   6.406  1.9697 -0.2237 -0.4839
+  366TIP3   OH2 2545   1.214   1.942   1.399 -0.3488  0.7411 -0.5792
+  366TIP3    H1 2546   1.297   1.963   1.356 -0.3823 -0.3354 -1.1884
+  366TIP3    H2 2547   1.147   1.972   1.338 -0.3980  0.5295 -0.6310
+  367TIP3   OH2 2548   1.259   1.137   1.258  0.0661 -0.4224  0.2792
+  367TIP3    H1 2549   1.338   1.085   1.275  1.2598  1.4240  0.4747
+  367TIP3    H2 2550   1.218   1.147   1.344  0.8920  0.6227  0.5588
+  368TIP3   OH2 2551   1.097   3.302   6.864 -0.5802  0.2201 -0.7609
+  368TIP3    H1 2552   1.170   3.344   6.819  0.6742 -1.4451 -0.2782
+  368TIP3    H2 2553   1.094   3.213   6.829 -1.8742  0.0156 -0.1747
+  369TIP3   OH2 2554   1.046   2.084   0.655  0.4021 -0.6374 -0.3192
+  369TIP3    H1 2555   1.006   2.033   0.726  0.3962 -1.0050 -0.5885
+  369TIP3    H2 2556   1.066   2.169   0.695 -2.5749  0.3169 -0.7084
+  370TIP3   OH2 2557   6.510   1.353   0.635 -1.0662  0.1480 -0.2365
+  370TIP3    H1 2558   6.556   1.382   0.714 -2.0486  0.2432  0.3077
+  370TIP3    H2 2559   6.566   1.381   0.563  0.2243 -0.6077  0.4422
+  371TIP3   OH2 2560   6.679   2.283   6.741 -0.0312  0.2949  0.1824
+  371TIP3    H1 2561   6.736   2.208   6.756 -1.2294 -0.7619 -0.5599
+  371TIP3    H2 2562   6.632   2.295   6.823  1.2094  1.1600  0.7953
+  372TIP3   OH2 2563   3.851   4.201   1.740  0.0822  0.4709  0.9198
+  372TIP3    H1 2564   3.930   4.204   1.795  0.7012  1.8687 -0.0217
+  372TIP3    H2 2565   3.864   4.271   1.676 -2.7568  1.9298  1.8698
+  373TIP3   OH2 2566   1.366   1.042   0.826  0.2075 -0.5900  0.4437
+  373TIP3    H1 2567   1.285   1.022   0.780  0.4081  0.6234 -0.4659
+  373TIP3    H2 2568   1.403   0.956   0.848 -0.4551 -1.1736 -0.6780
+  374TIP3   OH2 2569   0.577   1.863   4.259 -0.1259 -0.2569  0.3927
+  374TIP3    H1 2570   0.575   1.959   4.252 -0.6194 -0.1064  2.1914
+  374TIP3    H2 2571   0.589   1.832   4.170 -1.0278  1.4609 -0.3495
+  375TIP3   OH2 2572   6.570   0.925   2.394 -0.4924 -0.3349 -0.2312
+  375TIP3    H1 2573   6.481   0.910   2.426 -0.1211  0.7042  1.3399
+  375TIP3    H2 2574   6.558   0.975   2.313 -1.3924 -1.6505 -0.9258
+  376TIP3   OH2 2575   3.008   5.597   6.594 -0.6773  0.3831 -0.1019
+  376TIP3    H1 2576   2.955   5.556   6.525 -0.0353  1.4470 -1.2541
+  376TIP3    H2 2577   2.950   5.601   6.670 -1.3998 -0.8069 -0.5846
+  377TIP3   OH2 2578   0.194   3.078   1.559  0.3100 -0.0781  0.8789
+  377TIP3    H1 2579   0.172   3.119   1.642  0.5966 -1.3243  1.5904
+  377TIP3    H2 2580   0.115   3.029   1.535  0.0363  0.7122  0.1386
+  378TIP3   OH2 2581   2.619   2.072   0.448 -0.6115  0.2354  0.4533
+  378TIP3    H1 2582   2.616   2.116   0.363 -2.3846  2.0333  1.4146
+  378TIP3    H2 2583   2.686   2.004   0.437 -0.8439  0.4032 -2.3844
+  379TIP3   OH2 2584   0.864   5.048   0.408  0.1857 -0.0062  0.3836
+  379TIP3    H1 2585   0.856   5.005   0.323 -0.0054 -1.4223  1.1183
+  379TIP3    H2 2586   0.842   5.140   0.390  1.5515  0.0048 -1.3643
+  380TIP3   OH2 2587   6.003   1.549   1.744  0.2155  0.2056 -0.0972
+  380TIP3    H1 2588   6.080   1.523   1.794  1.2817  1.4770 -1.0128
+  380TIP3    H2 2589   6.014   1.505   1.659 -0.8235 -0.7703  0.2663
+  381TIP3   OH2 2590   1.896   5.115   1.679  0.0048 -0.1721 -0.2796
+  381TIP3    H1 2591   1.907   5.150   1.591  3.1796 -1.7518 -0.5842
+  381TIP3    H2 2592   1.821   5.056   1.673 -0.2493  0.2878 -1.7320
+  382TIP3   OH2 2593   3.690   6.808   6.705  0.2423 -0.0795  0.1509
+  382TIP3    H1 2594   3.675   6.717   6.682  1.1705 -0.0484 -0.6219
+  382TIP3    H2 2595   3.609   6.853   6.683  0.2252 -0.5016 -0.6616
+  383TIP3   OH2 2596   6.329   5.907   1.559  0.2466  0.0269 -0.0160
+  383TIP3    H1 2597   6.388   5.967   1.514  2.2857 -1.9616 -0.0642
+  383TIP3    H2 2598   6.295   5.850   1.490 -1.3289  0.8016  0.0937
+  384TIP3   OH2 2599   0.880   6.155   0.196 -0.1358  0.7000 -0.2498
+  384TIP3    H1 2600   0.802   6.173   0.144  0.0358  0.1389 -0.7114
+  384TIP3    H2 2601   0.892   6.234   0.250 -0.7238  0.9933 -0.5423
+  385TIP3   OH2 2602   2.091   0.198   0.549 -0.2460 -0.1847 -0.5893
+  385TIP3    H1 2603   2.023   0.146   0.592 -1.2674  2.0566  0.5687
+  385TIP3    H2 2604   2.123   0.257   0.617  0.3136  1.2690 -2.0900
+  386TIP3   OH2 2605   1.873   6.609   0.452  0.5735  0.4709  0.1072
+  386TIP3    H1 2606   1.888   6.554   0.376 -0.2080 -0.0063  0.2831
+  386TIP3    H2 2607   1.934   6.577   0.518 -1.3318 -1.6660  0.9333
+  387TIP3   OH2 2608   2.093   1.553   1.156 -0.5964  0.0975 -0.1957
+  387TIP3    H1 2609   2.149   1.497   1.210 -0.6717  1.9435  1.8602
+  387TIP3    H2 2610   2.151   1.588   1.089  0.2248  0.2986  0.6203
+  388TIP3   OH2 2611   1.423   2.863   1.291  0.1177  0.4116  0.3168
+  388TIP3    H1 2612   1.413   2.852   1.197 -0.6798  1.6899  0.2413
+  388TIP3    H2 2613   1.391   2.780   1.328 -2.6146  1.0765 -0.3914
+  389TIP3   OH2 2614   1.426   1.031   6.881  0.0724 -0.3747  0.7299
+  389TIP3    H1 2615   1.501   1.029   6.940  0.5682  0.2774  0.1298
+  389TIP3    H2 2616   1.454   1.087   6.809 -0.9151 -0.3003  0.3992
+  390TIP3   OH2 2617   2.113   0.370   0.805 -0.5028  0.1584 -0.4509
+  390TIP3    H1 2618   2.099   0.451   0.756 -2.5426 -0.2232 -0.5615
+  390TIP3    H2 2619   2.050   0.375   0.877  1.8373  0.3040  1.6646
+  391TIP3   OH2 2620   1.838   2.202   3.734 -0.2726  0.3728 -0.2963
+  391TIP3    H1 2621   1.782   2.260   3.683  0.6968 -0.1057 -1.9460
+  391TIP3    H2 2622   1.777   2.150   3.786 -1.3660 -0.0352 -1.9527
+  392TIP3   OH2 2623   2.318   2.439   2.964 -0.3521  0.5367  0.0507
+  392TIP3    H1 2624   2.244   2.379   2.977 -1.5697  2.0849  0.3956
+  392TIP3    H2 2625   2.329   2.442   2.869 -0.9550  0.5614 -0.0231
+  393TIP3   OH2 2626   1.114   0.829   1.845 -0.1856  0.1093  0.4097
+  393TIP3    H1 2627   1.065   0.788   1.917  1.5752 -1.7278  0.6063
+  393TIP3    H2 2628   1.206   0.810   1.864  0.3324 -0.1935 -2.2109
+  394TIP3   OH2 2629   6.158   4.963   3.575  0.2801 -0.2513 -0.5950
+  394TIP3    H1 2630   6.253   4.974   3.568  0.6295 -0.5671  2.8547
+  394TIP3    H2 2631   6.137   4.991   3.664 -2.7794 -0.9459 -1.0362
+  395TIP3   OH2 2632   6.916   1.899   5.972  0.9982  0.1973 -0.3527
+  395TIP3    H1 2633   6.894   1.816   6.013 -0.0956  1.0754  0.8790
+  395TIP3    H2 2634   6.880   1.966   6.030  0.0123  1.4998 -2.3853
+  396TIP3   OH2 2635   3.539   1.993   0.315 -0.1495  0.4639  0.2926
+  396TIP3    H1 2636   3.492   2.066   0.356  0.6942  0.8111  0.6571
+  396TIP3    H2 2637   3.560   1.935   0.388  0.4885  0.5921  0.2103
+  397TIP3   OH2 2638   3.509   0.586   0.162  0.1588 -0.5359  0.3326
+  397TIP3    H1 2639   3.447   0.564   0.092 -1.3839  1.7297  0.9044
+  397TIP3    H2 2640   3.535   0.502   0.199 -2.2635 -1.5751 -0.2130
+  398TIP3   OH2 2641   4.178   2.175   0.192 -0.0971 -0.6363 -0.5876
+  398TIP3    H1 2642   4.108   2.126   0.149  0.1662 -1.6519  0.1323
+  398TIP3    H2 2643   4.239   2.196   0.121  0.7744 -3.0664 -0.5867
+  399TIP3   OH2 2644   4.069   3.078   6.430 -0.0024 -0.5026 -0.3818
+  399TIP3    H1 2645   4.072   3.089   6.525 -0.9135 -1.4000 -0.2456
+  399TIP3    H2 2646   4.085   3.166   6.396  0.1104 -0.1308  0.6032
+  400TIP3   OH2 2647   2.254   1.487   6.848 -0.1926  0.4348 -0.1251
+  400TIP3    H1 2648   2.194   1.504   6.775 -0.4389  0.5931  0.1122
+  400TIP3    H2 2649   2.199   1.450   6.916  0.2685 -0.9906 -0.4925
+  401TIP3   OH2 2650   3.733   0.619   6.774  0.0064 -0.2223  0.1799
+  401TIP3    H1 2651   3.759   0.706   6.804  1.9836 -1.3194  1.7577
+  401TIP3    H2 2652   3.642   0.611   6.802  0.1473  0.8981  0.9990
+  402TIP3   OH2 2653   1.350   2.820   6.126 -0.6898  0.5128  0.1270
+  402TIP3    H1 2654   1.393   2.736   6.108  0.6791  0.9606  1.2717
+  402TIP3    H2 2655   1.308   2.842   6.043 -0.7161 -1.1016 -0.3165
+  403TIP3   OH2 2656   2.927   1.786   1.637 -0.7290 -0.3901  0.2406
+  403TIP3    H1 2657   2.907   1.725   1.566 -3.0171 -0.1948  0.6599
+  403TIP3    H2 2658   2.997   1.744   1.686  0.4130 -0.8506 -1.7092
+  404TIP3   OH2 2659   1.536   1.226   2.337  0.2483  0.2488 -0.7537
+  404TIP3    H1 2660   1.494   1.166   2.398  1.2027  1.3649  1.0120
+  404TIP3    H2 2661   1.472   1.296   2.325  0.4605  0.5309 -0.2505
+  405TIP3   OH2 2662   2.183   0.082   1.596  0.0041  0.2292  0.0318
+  405TIP3    H1 2663   2.136   0.160   1.628  0.0402  0.4606 -0.4677
+  405TIP3    H2 2664   2.251   0.117   1.538 -0.8974 -0.2402 -1.3434
+  406TIP3   OH2 2665   4.233   6.354   1.045 -0.4114  0.0835 -0.4310
+  406TIP3    H1 2666   4.265   6.391   1.128 -0.3420  1.4367 -1.0497
+  406TIP3    H2 2667   4.288   6.277   1.031  1.8280  1.7266 -0.8834
+  407TIP3   OH2 2668   3.923   1.148   4.632  0.2989 -0.1555  0.1094
+  407TIP3    H1 2669   3.914   1.063   4.588  0.5012 -0.2190  0.1868
+  407TIP3    H2 2670   3.978   1.129   4.708 -0.8425 -0.2424  0.9190
+  408TIP3   OH2 2671   1.541   0.402   6.750  0.0169 -0.1481  0.7407
+  408TIP3    H1 2672   1.614   0.351   6.785  1.3305  1.0453 -0.1945
+  408TIP3    H2 2673   1.465   0.370   6.798  1.1192 -1.5191  1.6408
+  409TIP3   OH2 2674   2.716   1.463   6.185 -0.1361  0.0597  0.4306
+  409TIP3    H1 2675   2.712   1.453   6.281 -1.2630  0.4862  0.4293
+  409TIP3    H2 2676   2.799   1.423   6.161 -0.6615 -1.6527  1.3851
+  410TIP3   OH2 2677   5.115   0.941   1.424 -0.1895 -0.0167 -0.0393
+  410TIP3    H1 2678   5.083   1.018   1.376 -0.5246 -0.1854 -0.0951
+  410TIP3    H2 2679   5.210   0.952   1.427 -0.1055 -0.2727 -1.2369
+  411TIP3   OH2 2680   2.955   6.461   6.281 -0.1821  0.0378  0.1110
+  411TIP3    H1 2681   3.027   6.510   6.321 -0.3568 -1.0784  1.8590
+  411TIP3    H2 2682   2.995   6.412   6.210  0.5030  0.5919  0.1153
+  412TIP3   OH2 2683   4.859   0.534   4.712  0.0276  0.0945 -0.4770
+  412TIP3    H1 2684   4.857   0.544   4.616  0.1855  1.5106 -0.3381
+  412TIP3    H2 2685   4.878   0.441   4.725 -1.4528 -0.4274 -1.8206
+  413TIP3   OH2 2686   2.838   2.522   6.170 -0.2296 -0.5052 -0.4456
+  413TIP3    H1 2687   2.895   2.447   6.155 -0.1642 -0.6540  0.5273
+  413TIP3    H2 2688   2.755   2.497   6.131  1.0458  0.7420 -4.2660
+  414TIP3   OH2 2689   3.126   0.375   6.780 -0.1744 -0.4772 -0.5552
+  414TIP3    H1 2690   3.133   0.460   6.736 -1.2959 -0.5302 -0.8463
+  414TIP3    H2 2691   3.032   0.360   6.789  0.0187 -1.5873 -0.2995
+  415TIP3   OH2 2692   2.242   6.024   5.841  0.0605 -0.2981  0.2123
+  415TIP3    H1 2693   2.247   6.101   5.898  0.6008 -0.7203  0.7463
+  415TIP3    H2 2694   2.305   5.962   5.879 -1.9278 -1.8496  1.0806
+  416TIP3   OH2 2695   4.440   5.550   4.937 -0.2939  0.1749 -0.6667
+  416TIP3    H1 2696   4.388   5.470   4.947  0.2187 -0.3065 -1.7564
+  416TIP3    H2 2697   4.530   5.519   4.924  0.0293  0.9535 -0.3104
+  417TIP3   OH2 2698   0.682   0.620   0.903 -0.3935 -0.1032  0.6017
+  417TIP3    H1 2699   0.641   0.705   0.887 -0.4997 -0.3945 -0.7937
+  417TIP3    H2 2700   0.655   0.566   0.828  0.4080 -1.0837  1.0054
+  418TIP3   OH2 2701   0.315   2.534   2.274 -0.7029 -0.1968  0.5884
+  418TIP3    H1 2702   0.304   2.444   2.305  1.4768 -0.9100 -0.6359
+  418TIP3    H2 2703   0.384   2.529   2.208 -0.2341  2.4460  0.8165
+  419TIP3   OH2 2704   5.217   0.589   1.083 -0.1610  0.6513  0.1589
+  419TIP3    H1 2705   5.272   0.599   1.162 -0.1794  0.6313  0.1743
+  419TIP3    H2 2706   5.202   0.495   1.077 -0.0826  0.6437  0.0787
+  420TIP3   OH2 2707   2.494   6.280   3.746  0.5103  0.1029 -0.4923
+  420TIP3    H1 2708   2.587   6.289   3.728  1.0797 -1.0299  1.7297
+  420TIP3    H2 2709   2.481   6.321   3.831 -1.1030  0.6444 -0.9800
+  421TIP3   OH2 2710   4.695   0.670   1.281  0.4875  0.7023 -0.2409
+  421TIP3    H1 2711   4.669   0.684   1.372  0.1878  0.3513 -0.2703
+  421TIP3    H2 2712   4.746   0.748   1.258  1.2874  0.4052  0.4895
+  422TIP3   OH2 2713   1.166   2.344   5.269 -0.5252 -0.3214  0.2605
+  422TIP3    H1 2714   1.145   2.258   5.306 -0.0119  0.1831  1.7521
+  422TIP3    H2 2715   1.243   2.329   5.215 -1.0911 -1.0069 -0.3644
+  423TIP3   OH2 2716   5.257   2.050   0.848  0.3604  0.0616 -0.2420
+  423TIP3    H1 2717   5.167   2.028   0.869  0.4717 -0.5327 -0.3871
+  423TIP3    H2 2718   5.272   2.011   0.761  0.2575  1.5111 -0.9229
+  424TIP3   OH2 2719   4.596   4.380   6.769  0.6466  0.3807  0.1084
+  424TIP3    H1 2720   4.525   4.416   6.822  0.1544  0.0487 -0.3148
+  424TIP3    H2 2721   4.555   4.310   6.719  1.1815  0.4598 -0.4518
+  425TIP3   OH2 2722   3.035   6.199   0.110 -0.9694 -0.2973  0.7241
+  425TIP3    H1 2723   3.025   6.112   0.071  0.6510 -0.1698 -0.0044
+  425TIP3    H2 2724   2.968   6.202   0.179 -0.6093 -2.3794  1.2058
+  426TIP3   OH2 2725   1.698   1.420   5.493 -0.4394  0.3595 -0.8432
+  426TIP3    H1 2726   1.645   1.343   5.516 -0.5358  1.1166  1.5384
+  426TIP3    H2 2727   1.781   1.384   5.462 -0.2321 -0.6899  0.9020
+  427TIP3   OH2 2728   1.033   0.133   1.776 -0.2047 -0.0357  0.5143
+  427TIP3    H1 2729   1.009   0.071   1.707  2.7678  1.0894 -1.6248
+  427TIP3    H2 2730   1.025   0.219   1.735  0.7922  0.6972  1.8208
+  428TIP3   OH2 2731   3.102   5.785   2.056  0.1372 -0.5609 -0.1072
+  428TIP3    H1 2732   3.122   5.861   2.111  0.1507 -1.9442  1.8518
+  428TIP3    H2 2733   3.011   5.798   2.029 -0.4522 -0.7149  1.7156
+  429TIP3   OH2 2734   4.634   0.421   0.087  0.4320 -0.0828  0.4030
+  429TIP3    H1 2735   4.601   0.342   0.131 -0.3298 -0.3519 -0.6357
+  429TIP3    H2 2736   4.725   0.426   0.114  0.0523 -0.3755  1.8265
+  430TIP3   OH2 2737   2.789   0.540   0.773 -0.3528 -0.1343  0.1801
+  430TIP3    H1 2738   2.829   0.627   0.776  0.2207 -0.3735 -0.4070
+  430TIP3    H2 2739   2.806   0.509   0.684  0.1732 -1.1862  0.6471
+  431TIP3   OH2 2740   0.583   1.172   0.287  0.0916  0.2199  0.1075
+  431TIP3    H1 2741   0.507   1.168   0.229 -0.3379 -1.1804  0.7493
+  431TIP3    H2 2742   0.658   1.165   0.228 -0.3652 -2.8863 -0.1832
+  432TIP3   OH2 2743   3.203   1.669   0.887 -0.2876 -0.7667  0.2703
+  432TIP3    H1 2744   3.150   1.611   0.832  1.0546 -0.5804 -1.2458
+  432TIP3    H2 2745   3.275   1.697   0.830  0.5875  0.2069  1.8328
+  433TIP3   OH2 2746   3.396   1.630   6.266 -0.5856 -0.0170  0.1502
+  433TIP3    H1 2747   3.405   1.577   6.187  0.4733 -0.1403  0.3505
+  433TIP3    H2 2748   3.405   1.568   6.338 -2.1800 -0.0111  0.3856
+  434TIP3   OH2 2749   1.924   1.016   2.473  0.2471  0.4121 -0.8980
+  434TIP3    H1 2750   1.882   1.097   2.444 -1.6696 -0.7158 -1.3785
+  434TIP3    H2 2751   1.915   1.017   2.568 -3.4936 -1.1192 -1.1426
+  435TIP3   OH2 2752   6.134   5.843   6.419 -0.1843  0.2749  0.0421
+  435TIP3    H1 2753   6.218   5.805   6.390  0.5794  0.3386  2.0745
+  435TIP3    H2 2754   6.128   5.927   6.374  0.0397 -0.4747 -1.4059
+  436TIP3   OH2 2755   3.328   1.072   0.642 -0.2498 -0.7069 -0.3395
+  436TIP3    H1 2756   3.418   1.081   0.674  0.7205 -0.1421 -3.1138
+  436TIP3    H2 2757   3.325   0.985   0.602 -1.2588 -1.1512  0.6872
+  437TIP3   OH2 2758   3.614   1.314   0.369  0.1003 -0.6508 -0.2613
+  437TIP3    H1 2759   3.557   1.264   0.311 -0.7910 -0.5725  0.5309
+  437TIP3    H2 2760   3.618   1.401   0.330 -0.2591 -0.6782 -0.3620
+  438TIP3   OH2 2761   4.607   0.416   0.413 -0.1514 -0.0189 -0.0338
+  438TIP3    H1 2762   4.523   0.394   0.374 -0.4957 -1.3379  1.3721
+  438TIP3    H2 2763   4.649   0.331   0.429  0.4849  0.5236  1.2817
+  439TIP3   OH2 2764   2.479   6.698   4.999 -0.4232 -0.0296  0.4294
+  439TIP3    H1 2765   2.485   6.762   5.069 -0.0232 -0.2699  0.6185
+  439TIP3    H2 2766   2.392   6.658   5.010  0.1454 -0.9833  1.6002
+  440TIP3   OH2 2767   3.564   3.404   0.000 -0.3324 -0.1851 -0.8173
+  440TIP3    H1 2768   3.574   3.471   0.068  2.8898 -1.1777 -0.2472
+  440TIP3    H2 2769   3.640   3.415  -0.056  0.0743 -3.1124 -0.9191
+  441TIP3   OH2 2770   2.349   2.129   0.027 -0.5613  0.1697  0.0333
+  441TIP3    H1 2771   2.369   2.119   0.120 -1.1828  1.3755  0.3028
+  441TIP3    H2 2772   2.432   2.113  -0.017 -0.1002  0.2821  0.8407
+  442TIP3   OH2 2773   2.160   3.034   0.087  0.2269 -0.4432  0.0626
+  442TIP3    H1 2774   2.248   3.071   0.094  0.1112 -0.5067  2.1439
+  442TIP3    H2 2775   2.108   3.103   0.046  0.9851  0.0012 -0.1687
+  443TIP3   OH2 2776   3.640   2.151   0.939  0.5682 -0.0199  0.1251
+  443TIP3    H1 2777   3.704   2.081   0.934  1.5821  0.8878  0.2241
+  443TIP3    H2 2778   3.557   2.111   0.912  0.9992 -1.4178  0.8741
+  444TIP3   OH2 2779   4.910   2.400   0.688  0.4536 -0.4705 -0.1462
+  444TIP3    H1 2780   4.844   2.410   0.620  0.4293 -1.6323 -0.3107
+  444TIP3    H2 2781   4.986   2.364   0.642 -0.3428 -3.5670  0.7809
+  445TIP3   OH2 2782   5.604   0.037   6.800  0.0145  0.5725 -0.0333
+  445TIP3    H1 2783   5.662  -0.030   6.835  0.2470 -0.7590 -2.8038
+  445TIP3    H2 2784   5.526   0.033   6.855  0.4949 -1.2042  0.5463
+  446TIP3   OH2 2785   0.686   2.928   2.020 -0.4117  0.7396 -0.1149
+  446TIP3    H1 2786   0.624   2.860   1.996 -0.4115  0.1219  1.5298
+  446TIP3    H2 2787   0.673   2.940   2.114  0.9887  1.5876 -0.0125
+  447TIP3   OH2 2788   2.791   1.233   6.592  0.2453  0.0622 -0.1396
+  447TIP3    H1 2789   2.701   1.203   6.589 -0.4554  1.8941  1.4529
+  447TIP3    H2 2790   2.794   1.295   6.665  2.6632  0.4445 -0.4957
+  448TIP3   OH2 2791   2.543   1.443   0.041  0.0947 -0.6938  0.1935
+  448TIP3    H1 2792   2.514   1.366   0.089  0.4239 -0.0922  1.3768
+  448TIP3    H2 2793   2.462   1.485   0.012 -0.1163 -0.8848  0.5028
+  449TIP3   OH2 2794   1.986   1.313   1.338  0.1806 -0.0449  0.5321
+  449TIP3    H1 2795   2.001   1.249   1.407 -4.4227 -1.6261  0.2411
+  449TIP3    H2 2796   1.959   1.393   1.384 -0.3814 -0.3252  0.7010
+  450TIP3   OH2 2797   2.978   0.719   0.022  0.6465 -0.8409  0.3090
+  450TIP3    H1 2798   3.003   0.638   0.066 -0.7744 -2.0933 -1.0976
+  450TIP3    H2 2799   3.001   0.705  -0.069 -1.0561 -0.3026 -0.2295
+  451TIP3   OH2 2800   2.190   2.390   1.080  0.1090 -0.0415  0.4923
+  451TIP3    H1 2801   2.250   2.325   1.117 -0.9072 -1.8958 -1.0509
+  451TIP3    H2 2802   2.103   2.359   1.103 -0.4412  0.0228 -1.4123
+  452TIP3   OH2 2803   1.575   6.868   3.277 -0.5716 -0.1453  0.6628
+  452TIP3    H1 2804   1.636   6.811   3.230  0.1372  0.9860  0.1979
+  452TIP3    H2 2805   1.536   6.811   3.343 -0.1261 -1.2634 -0.0102
+  453TIP3   OH2 2806   2.700   6.518   2.115  0.3872  0.5755  0.1344
+  453TIP3    H1 2807   2.707   6.609   2.087  1.7981 -0.0319 -1.6155
+  453TIP3    H2 2808   2.629   6.481   2.061 -0.4246  0.7263  1.0946
+  454TIP3   OH2 2809   4.593   1.309   2.963  0.3575  0.6872  0.5090
+  454TIP3    H1 2810   4.529   1.241   2.941  1.2743 -0.2643  0.7560
+  454TIP3    H2 2811   4.541   1.378   3.005 -1.1535  1.6905 -2.8152
+  455TIP3   OH2 2812   4.152   2.710   0.666  0.1098 -0.1462  0.3750
+  455TIP3    H1 2813   4.224   2.651   0.645  0.4612  0.4141 -0.0126
+  455TIP3    H2 2814   4.195   2.789   0.701 -0.4043 -0.5992  2.0897
+  456TIP3   OH2 2815   2.650   0.583   6.358  0.0795  0.5166 -0.1625
+  456TIP3    H1 2816   2.659   0.671   6.320 -0.9100  1.0994  0.9361
+  456TIP3    H2 2817   2.726   0.575   6.416 -0.2625  0.9637  0.3509
+  457TIP3   OH2 2818   3.443   0.009   6.283  0.1221  0.2796  0.6192
+  457TIP3    H1 2819   3.450  -0.065   6.344 -2.0017 -0.5784 -0.1539
+  457TIP3    H2 2820   3.372   0.062   6.319 -0.0662  0.6049 -0.2344
+  458TIP3   OH2 2821   2.260   1.309   0.702 -0.2908 -0.1830  0.2021
+  458TIP3    H1 2822   2.302   1.247   0.642  0.2337  0.3373  0.0233
+  458TIP3    H2 2823   2.177   1.267   0.726 -1.2300  0.3125 -2.1208
+  459TIP3   OH2 2824   3.004   3.025   1.472 -0.4894  0.3056 -0.6426
+  459TIP3    H1 2825   2.979   3.117   1.460 -0.5358  0.2776 -0.7660
+  459TIP3    H2 2826   2.941   2.977   1.419 -0.3772  0.2114 -0.6894
+  460TIP3   OH2 2827   4.265   0.577   2.863  0.6918 -0.1734 -0.4496
+  460TIP3    H1 2828   4.197   0.638   2.833  1.2037  0.9093  0.5746
+  460TIP3    H2 2829   4.281   0.520   2.787 -0.3815  0.4302 -1.1403
+  461TIP3   OH2 2830   1.910   0.203   1.539  0.5294 -0.8301  0.3473
+  461TIP3    H1 2831   1.849   0.206   1.613  0.7465 -3.4683  0.7006
+  461TIP3    H2 2832   1.944   0.113   1.540  1.6750 -0.4637 -2.0454
+  462TIP3   OH2 2833   4.298   6.903   0.889 -0.4358 -0.0335  0.0619
+  462TIP3    H1 2834   4.288   6.882   0.982  0.1480 -1.7016 -0.2339
+  462TIP3    H2 2835   4.219   6.868   0.848  0.5009 -1.6517 -0.4239
+  463TIP3   OH2 2836   4.902   4.860   5.851 -0.0018 -0.0608 -0.3889
+  463TIP3    H1 2837   4.986   4.887   5.813 -0.1606  1.4858  0.3393
+  463TIP3    H2 2838   4.921   4.847   5.944 -0.3192 -0.8238 -0.4261
+  464TIP3   OH2 2839   3.040   6.542   2.013  0.2993 -0.3031  0.1897
+  464TIP3    H1 2840   2.965   6.503   2.057 -0.6266  0.3355 -0.8010
+  464TIP3    H2 2841   3.115   6.517   2.067 -0.6956 -0.3725  1.5641
+  465TIP3   OH2 2842   2.375   3.131   0.645  0.4578  0.2339  0.4412
+  465TIP3    H1 2843   2.430   3.207   0.668 -0.9981  1.0371  1.3196
+  465TIP3    H2 2844   2.293   3.146   0.691 -0.3125 -1.2519 -0.4188
+  466TIP3   OH2 2845   5.519   1.587   1.455  0.0732  0.0686 -0.0331
+  466TIP3    H1 2846   5.489   1.677   1.467  2.3022  0.8456 -0.0615
+  466TIP3    H2 2847   5.470   1.536   1.519  0.2343  1.6200  1.3516
+  467TIP3   OH2 2848   2.129   6.466   6.099  0.4392 -0.3438  0.1690
+  467TIP3    H1 2849   2.206   6.514   6.130 -0.8309  0.9586  1.3749
+  467TIP3    H2 2850   2.094   6.518   6.027  1.0582 -1.2927 -0.8402
+  468TIP3   OH2 2851   3.870   2.439   1.244 -0.3075 -0.1241 -0.3124
+  468TIP3    H1 2852   3.868   2.345   1.225 -0.4121 -0.2660  0.3883
+  468TIP3    H2 2853   3.831   2.447   1.331  0.5916  0.4629  0.0510
+  469TIP3   OH2 2854   0.420   1.394   6.386  0.6851 -0.4263  0.4096
+  469TIP3    H1 2855   0.501   1.372   6.432 -0.4535 -2.2572  1.6345
+  469TIP3    H2 2856   0.362   1.427   6.454  0.7676  2.0674 -0.6604
+  470TIP3   OH2 2857   2.442   2.653   6.113 -0.2657  0.0124  0.2226
+  470TIP3    H1 2858   2.419   2.746   6.117 -0.1415  0.1561 -2.0923
+  470TIP3    H2 2859   2.486   2.643   6.029 -2.2212 -2.6010 -0.5167
+  471TIP3   OH2 2860   2.830   2.675   5.847  0.6694  0.8703  0.4913
+  471TIP3    H1 2861   2.821   2.582   5.825 -0.5514  0.3445  3.0315
+  471TIP3    H2 2862   2.921   2.695   5.825  1.5050 -1.4295  1.6004
+  472TIP3   OH2 2863   3.936   1.827   2.689 -0.1929 -0.4249  0.0623
+  472TIP3    H1 2864   3.852   1.872   2.693 -0.4821 -1.1119  2.1086
+  472TIP3    H2 2865   3.929   1.769   2.613 -1.4028 -0.1531 -0.0382
+  473TIP3   OH2 2866   1.838   0.251   2.801  0.0111 -0.2217 -0.3136
+  473TIP3    H1 2867   1.922   0.204   2.796 -0.2708 -0.6180 -1.5364
+  473TIP3    H2 2868   1.847   0.308   2.877  1.1041 -0.8263  0.0274
+  474TIP3   OH2 2869   1.067   5.865   5.263  0.2979  0.1124 -0.2506
+  474TIP3    H1 2870   1.009   5.842   5.336  0.3755  1.2593  0.1889
+  474TIP3    H2 2871   1.029   5.946   5.227  1.3768  0.6351 -0.2301
+  475TIP3   OH2 2872   2.220   0.937   0.887 -0.2487 -0.1875  0.1700
+  475TIP3    H1 2873   2.265   0.942   0.972  0.6562  0.5226 -0.3362
+  475TIP3    H2 2874   2.175   1.021   0.879 -0.5071 -0.3397  0.0471
+  476TIP3   OH2 2875   4.957   1.242   2.378 -0.3286  0.2886 -0.0582
+  476TIP3    H1 2876   4.879   1.216   2.426  0.1687 -1.2223 -0.0452
+  476TIP3    H2 2877   4.996   1.160   2.348  0.7423  1.0712 -0.8745
+  477TIP3   OH2 2878   4.088   0.655   6.817  0.3384 -0.4504  0.0520
+  477TIP3    H1 2879   4.047   0.678   6.901  0.4806 -1.0946  0.3060
+  477TIP3    H2 2880   4.155   0.722   6.803 -0.4423  0.2941 -0.0967
+  478TIP3   OH2 2881   2.661   6.822   2.445  0.0850  0.6613  0.1253
+  478TIP3    H1 2882   2.654   6.909   2.405  1.9377  0.6936 -0.1618
+  478TIP3    H2 2883   2.608   6.765   2.389 -1.2394  1.6177  0.3896
+  479TIP3   OH2 2884   3.113   6.675   1.019 -0.0813  0.0990  0.0274
+  479TIP3    H1 2885   3.105   6.581   1.033  2.0833 -0.0264  0.7228
+  479TIP3    H2 2886   3.114   6.712   1.107 -1.1541  0.8054 -0.2499
+  480TIP3   OH2 2887   3.498   2.174   2.147 -0.4190  0.2058  0.6076
+  480TIP3    H1 2888   3.424   2.203   2.200 -1.1257  0.5407 -0.5418
+  480TIP3    H2 2889   3.465   2.175   2.057  0.5202 -1.1215  0.2404
+  481TIP3   OH2 2890   3.040   6.892   6.329  0.3793  0.2596  0.6182
+  481TIP3    H1 2891   3.115   6.846   6.366  0.2886 -0.9678 -0.6768
+  481TIP3    H2 2892   3.036   6.861   6.238 -0.5018  1.8106  0.1101
+  482TIP3   OH2 2893   0.352   1.075   2.340 -0.3797 -0.1562 -0.3754
+  482TIP3    H1 2894   0.359   1.065   2.435  0.0063 -0.1718 -0.4051
+  482TIP3    H2 2895   0.268   1.034   2.318 -0.4523 -0.1863 -0.0459
+  483TIP3   OH2 2896   1.057   0.744   6.363 -0.9431  0.6548 -0.2083
+  483TIP3    H1 2897   1.088   0.660   6.329  2.6449  1.7923 -0.0136
+  483TIP3    H2 2898   1.065   0.735   6.458  1.9755  2.0552 -0.2811
+  484TIP3   OH2 2899   3.407   0.993   6.866 -0.4946 -0.0254 -0.1149
+  484TIP3    H1 2900   3.456   0.912   6.853  0.0263  0.2109  0.3671
+  484TIP3    H2 2901   3.338   0.989   6.800  1.2064  0.4450 -1.9799
+  485TIP3   OH2 2902   3.248   6.852   3.295 -0.5282  0.1650 -0.4516
+  485TIP3    H1 2903   3.200   6.879   3.373 -0.8998 -1.8715  0.0381
+  485TIP3    H2 2904   3.339   6.844   3.324 -0.5870 -0.1399 -0.3604
+  486TIP3   OH2 2905   4.240   0.037   0.202  0.6516  0.3587 -0.0438
+  486TIP3    H1 2906   4.198   0.041   0.116  0.1928  0.3243  0.1776
+  486TIP3    H2 2907   4.246  -0.056   0.222  1.7894  0.3115 -0.5359
+  487TIP3   OH2 2908   2.205   6.650   5.042 -0.3556 -0.6387  0.1582
+  487TIP3    H1 2909   2.142   6.633   5.112 -1.0516 -2.4868 -0.8701
+  487TIP3    H2 2910   2.155   6.695   4.975 -0.2018 -0.7040 -0.0012
+  488TIP3   OH2 2911   4.793   2.410   2.307  0.5661 -0.5993  0.2000
+  488TIP3    H1 2912   4.736   2.482   2.335  0.7524 -0.1635 -0.5271
+  488TIP3    H2 2913   4.881   2.437   2.333  0.8578  0.2360 -1.6494
+  489TIP3   OH2 2914   3.034   1.838  -0.005  0.0787 -0.2276  0.2985
+  489TIP3    H1 2915   2.940   1.849   0.013 -0.0640 -1.3572  0.2774
+  489TIP3    H2 2916   3.077   1.902   0.052 -0.6769 -0.0397  0.6629
+  490TIP3   OH2 2917   5.717   0.852   6.875 -0.1621  0.2456  0.5467
+  490TIP3    H1 2918   5.638   0.804   6.848  0.5755  0.6452 -2.5329
+  490TIP3    H2 2919   5.715   0.932   6.823  2.0416  0.4755  0.7821
+  491TIP3   OH2 2920   2.145   2.841   0.851  0.0571  0.1303  0.1963
+  491TIP3    H1 2921   2.174   2.755   0.881  1.6343  1.2722  2.0458
+  491TIP3    H2 2922   2.217   2.874   0.797  0.5036  1.2735  1.4649
+  492TIP3   OH2 2923   1.171   3.486   0.546 -0.0970  0.7574 -0.6283
+  492TIP3    H1 2924   1.082   3.508   0.515 -0.6058  2.1232  1.6893
+  492TIP3    H2 2925   1.226   3.556   0.511 -0.0154  0.2127 -1.6046
+  493TIP3   OH2 2926   2.686   6.788   6.662  0.3333 -0.3139 -0.4837
+  493TIP3    H1 2927   2.608   6.773   6.610 -0.2220  0.0985  0.2166
+  493TIP3    H2 2928   2.732   6.859   6.617 -0.0699 -0.0582 -0.4993
+  494TIP3   OH2 2929   3.284   2.924   1.422 -0.3182  0.1589  0.2191
+  494TIP3    H1 2930   3.301   3.010   1.461 -0.9103  0.0957  0.6142
+  494TIP3    H2 2931   3.192   2.926   1.396 -0.1991 -0.1709 -0.2496
+  495TIP3   OH2 2932   4.314   1.079   1.854 -0.0781 -0.1439  0.2680
+  495TIP3    H1 2933   4.337   1.014   1.787  2.5144  0.2203  0.7607
+  495TIP3    H2 2934   4.325   1.163   1.811  0.0203  0.0545  0.6764
+  496TIP3   OH2 2935   2.584   0.814   2.644  0.6622  0.4829  0.0038
+  496TIP3    H1 2936   2.537   0.829   2.562 -0.2408  0.7667  0.5660
+  496TIP3    H2 2937   2.656   0.877   2.642  0.8365  0.2766 -0.7041
+  497TIP3   OH2 2938   4.724   6.703   6.864  0.3853  0.0609 -0.1794
+  497TIP3    H1 2939   4.777   6.773   6.827  1.0704 -1.0834 -1.4174
+  497TIP3    H2 2940   4.684   6.661   6.788 -0.1092 -0.8042  0.5516
+  498TIP3   OH2 2941   2.719   1.868   0.998 -0.1601 -1.0141 -0.0010
+  498TIP3    H1 2942   2.791   1.868   1.061  0.3388 -2.3325 -0.5710
+  498TIP3    H2 2943   2.739   1.941   0.939  0.3978 -1.0199  0.1802
+  499TIP3   OH2 2944   3.673   6.553   6.573 -0.7474 -0.3470 -0.2862
+  499TIP3    H1 2945   3.711   6.473   6.611 -0.6565 -0.5438 -0.7903
+  499TIP3    H2 2946   3.699   6.550   6.481 -0.6488  0.3282 -0.2767
+  500TIP3   OH2 2947   2.400   0.853   1.539  0.1570  0.5561 -0.0241
+  500TIP3    H1 2948   2.314   0.864   1.499 -0.7250 -0.9492  1.3654
+  500TIP3    H2 2949   2.429   0.942   1.560 -1.2852  1.0459 -0.0552
+  501TIP3   OH2 2950   2.791   1.776   2.143 -0.4137 -0.2402  0.5500
+  501TIP3    H1 2951   2.744   1.714   2.088 -3.8710  1.1536  1.8368
+  501TIP3    H2 2952   2.841   1.830   2.081 -0.0880 -2.0586 -0.8022
+  502TIP3   OH2 2953   3.691   2.640   6.806  0.7191  0.4145  0.1176
+  502TIP3    H1 2954   3.785   2.639   6.791  0.3399 -0.4177 -2.4081
+  502TIP3    H2 2955   3.676   2.571   6.871  2.0343  1.8144  1.9652
+  503TIP3   OH2 2956   0.820   2.606   5.359 -0.3395  0.0469  0.0958
+  503TIP3    H1 2957   0.804   2.699   5.375 -0.0703  0.0387  0.4037
+  503TIP3    H2 2958   0.903   2.587   5.402 -0.6088 -0.4403  0.4187
+  504TIP3   OH2 2959   1.970   0.397   0.095  0.6779  0.0126 -0.7801
+  504TIP3    H1 2960   2.065   0.390   0.105  0.5142  0.2199  1.2202
+  504TIP3    H2 2961   1.954   0.492   0.096  0.3721 -0.0423 -0.0886
+  505TIP3   OH2 2962   4.269   6.584   6.616 -0.2978  0.6268  0.0852
+  505TIP3    H1 2963   4.195   6.644   6.605  0.3349  1.2163 -1.1038
+  505TIP3    H2 2964   4.326   6.603   6.541  0.5328 -0.5702  0.4032
+  506TIP3   OH2 2965   2.601   6.551   3.392 -0.3146  0.4048 -0.1546
+  506TIP3    H1 2966   2.599   6.613   3.319  0.4590 -1.9457 -2.1878
+  506TIP3    H2 2967   2.650   6.597   3.461  0.6102  1.8892 -1.7727
+  507TIP3   OH2 2968   2.169   2.629   6.063  0.4193 -0.6022  0.2800
+  507TIP3    H1 2969   2.259   2.619   6.097  0.4426 -1.5802 -0.0311
+  507TIP3    H2 2970   2.120   2.559   6.106  0.4090 -1.7709 -1.5563
+  508TIP3   OH2 2971   2.745   1.565   6.736  0.2825 -0.0548  0.2130
+  508TIP3    H1 2972   2.657   1.568   6.772  0.6839 -0.0786  1.2316
+  508TIP3    H2 2973   2.802   1.581   6.812  1.2652 -2.9343  0.1520
+  509TIP3   OH2 2974   1.724   0.915   0.414 -0.0008 -0.5999  0.2847
+  509TIP3    H1 2975   1.810   0.889   0.382 -0.5389 -0.1442 -1.6351
+  509TIP3    H2 2976   1.670   0.836   0.407 -0.2094 -0.4124 -0.3320
+  510TIP3   OH2 2977   3.481   6.717   2.494  0.2796  0.7017  0.4244
+  510TIP3    H1 2978   3.499   6.626   2.519  0.3102  0.8017  0.7702
+  510TIP3    H2 2979   3.568   6.755   2.480  0.2605  0.6217  0.0681
+  511TIP3   OH2 2980   2.057   4.296   6.036 -0.2976 -0.8780 -0.1181
+  511TIP3    H1 2981   2.092   4.332   6.118 -0.7188 -1.7508  0.4585
+  511TIP3    H2 2982   1.966   4.324   6.035 -0.2707 -0.7971 -0.3370
+  512TIP3   OH2 2983   2.912   1.795   6.139  0.6379  0.2512  0.7251
+  512TIP3    H1 2984   2.970   1.871   6.149  0.8606  0.0938  0.6327
+  512TIP3    H2 2985   2.883   1.775   6.228  1.7016 -0.4310  0.9387
+  513TIP3   OH2 2986   1.221   2.208   1.038 -0.4774  0.2652 -0.5212
+  513TIP3    H1 2987   1.237   2.125   0.993 -0.7170  0.2541 -0.5872
+  513TIP3    H2 2988   1.132   2.201   1.071  0.3003 -0.4177  1.4589
+  514TIP3   OH2 2989   4.374   1.285   0.432  0.2077  0.2667  0.0691
+  514TIP3    H1 2990   4.362   1.232   0.511  1.0100  0.4855  0.3407
+  514TIP3    H2 2991   4.446   1.242   0.386 -0.5217 -0.0999 -0.7526
+  515TIP3   OH2 2992   1.106   2.859  -0.027  0.1719  0.6854 -0.0357
+  515TIP3    H1 2993   1.042   2.848   0.043 -1.0608  0.9801 -1.0996
+  515TIP3    H2 2994   1.175   2.913   0.011  1.1495 -1.8982  1.9851
+  516TIP3   OH2 2995   2.901   2.276   6.325 -0.2156 -0.5593  0.6643
+  516TIP3    H1 2996   2.852   2.195   6.310 -1.0616  0.5340 -2.9062
+  516TIP3    H2 2997   2.991   2.247   6.339 -0.8588 -2.2405  1.4614
+  517TIP3   OH2 2998   6.831   6.755   0.881 -0.2531  0.0446 -0.1071
+  517TIP3    H1 2999   6.765   6.790   0.942  1.2523 -0.5716  1.8946
+  517TIP3    H2 3000   6.915   6.772   0.924  0.7840 -1.1979 -1.6135
+  518TIP3   OH2 3001   5.322   1.936   0.618  0.1390 -0.2510  0.4303
+  518TIP3    H1 3002   5.236   1.953   0.579  0.2234  1.5156  0.9540
+  518TIP3    H2 3003   5.354   1.859   0.571  0.1117  1.5904 -2.8228
+  519TIP3   OH2 3004   1.457   3.199   0.254  0.2955 -0.2708 -0.0204
+  519TIP3    H1 3005   1.483   3.116   0.295  0.7234 -0.0877  0.0844
+  519TIP3    H2 3006   1.509   3.265   0.299  0.0657  0.0391 -0.2102
+  520TIP3   OH2 3007   2.152   3.088   1.609 -0.1530  0.1294  0.6738
+  520TIP3    H1 3008   2.124   3.179   1.603  0.6679  0.4337  1.3401
+  520TIP3    H2 3009   2.161   3.072   1.703 -1.9722 -1.1609  0.6471
+  521TIP3   OH2 3010   5.300   0.908   1.088  0.0603 -0.0647 -0.0004
+  521TIP3    H1 3011   5.372   0.884   1.147  2.0220  1.8826 -1.5383
+  521TIP3    H2 3012   5.270   0.825   1.052  1.5686 -0.9011  0.6305
+  522TIP3   OH2 3013   4.074   0.167   0.609 -0.0501 -0.5058 -0.3699
+  522TIP3    H1 3014   4.104   0.234   0.547 -1.9069 -0.1504 -0.9172
+  522TIP3    H2 3015   4.120   0.087   0.582  0.3844  0.0082 -1.1793
+  523TIP3   OH2 3016   2.073   1.099   2.208  0.3402 -0.3341  0.0583
+  523TIP3    H1 3017   2.079   1.152   2.287 -0.1438 -2.1705  1.3551
+  523TIP3    H2 3018   1.982   1.107   2.180  0.2722 -0.4735  0.2407
+  524TIP3   OH2 3019   4.770   1.857   6.825  0.0029 -0.0947  0.5506
+  524TIP3    H1 3020   4.718   1.925   6.781  0.6112  1.6640  2.4415
+  524TIP3    H2 3021   4.708   1.814   6.884  0.0483  0.1495  0.7802
+  525TIP3   OH2 3022   3.626   6.095   2.007  0.6660 -1.6054  0.2046
+  525TIP3    H1 3023   3.677   6.134   2.078 -0.9271 -0.0815  0.5257
+  525TIP3    H2 3024   3.538   6.128   2.019 -0.0740 -2.9467 -1.3089
+  526TIP3   OH2 3025   1.302   2.491   5.795  0.6561  0.0724 -0.3318
+  526TIP3    H1 3026   1.366   2.454   5.733  0.7289  3.0691 -2.1459
+  526TIP3    H2 3027   1.247   2.417   5.818  2.6438 -1.8410 -1.4578
+  527TIP3   OH2 3028   3.694   1.137   3.550 -0.3803 -0.0664 -0.7514
+  527TIP3    H1 3029   3.608   1.095   3.558  0.0782 -0.9326 -0.2845
+  527TIP3    H2 3030   3.734   1.096   3.474 -0.6671  0.8720 -1.4178
+  528TIP3   OH2 3031   3.413   2.361   0.980  0.7714 -0.6380  0.3916
+  528TIP3    H1 3032   3.453   2.381   0.895 -2.4845  0.8914 -0.8480
+  528TIP3    H2 3033   3.475   2.397   1.044  1.8819  0.7573 -1.4173
+  529TIP3   OH2 3034   4.380   0.185   0.703  1.0657 -0.3883 -0.2779
+  529TIP3    H1 3035   4.326   0.129   0.759  0.0270  1.2610  0.3856
+  529TIP3    H2 3036   4.443   0.125   0.663  0.2158 -1.9709  0.7232
+  530TIP3   OH2 3037   3.595   3.115   0.655 -0.0621  0.1043 -0.0293
+  530TIP3    H1 3038   3.569   3.206   0.640 -0.5574 -0.0222  0.0298
+  530TIP3    H2 3039   3.561   3.095   0.743  1.2160  0.2776  0.5124
+  531TIP3   OH2 3040   1.933   0.134   6.538 -0.0235 -0.2189  0.4482
+  531TIP3    H1 3041   1.910   0.171   6.623 -1.6888 -0.3122  0.0641
+  531TIP3    H2 3042   1.970   0.206   6.488  1.3471 -0.2601  1.3818
+  532TIP3   OH2 3043   2.451   2.609   2.160  0.2958  0.0376 -0.2990
+  532TIP3    H1 3044   2.457   2.523   2.200 -0.6912  0.3402  0.5047
+  532TIP3    H2 3045   2.540   2.644   2.165  1.4757 -2.2815 -3.7256
+  533TIP3   OH2 3046   1.981   2.227   5.570  0.5085 -0.0048 -0.0718
+  533TIP3    H1 3047   1.919   2.159   5.544  0.5305  0.1452 -0.5206
+  533TIP3    H2 3048   1.963   2.300   5.512  1.2766 -0.0499 -0.3762
+  534TIP3   OH2 3049   2.994   2.859   1.987 -0.2947  0.2145 -0.3024
+  534TIP3    H1 3050   3.071   2.915   2.002 -0.2336 -0.1037  0.5873
+  534TIP3    H2 3051   2.920   2.916   2.006 -0.2912  0.6304 -1.5199
+  535TIP3   OH2 3052   3.546   0.509   6.080 -0.2258 -0.2975  0.1391
+  535TIP3    H1 3053   3.580   0.420   6.083  1.4546  0.2998 -0.7040
+  535TIP3    H2 3054   3.556   0.542   6.170  0.5387 -0.4631  0.1176
+  536TIP3   OH2 3055   3.174   0.464   1.510  0.2813  0.1118 -0.2141
+  536TIP3    H1 3056   3.227   0.475   1.589  2.1614  2.7274 -1.7806
+  536TIP3    H2 3057   3.221   0.397   1.460  0.5271  0.3640 -0.3192
+  537TIP3   OH2 3058   3.917   1.777   6.495 -0.1714 -0.2014 -0.3010
+  537TIP3    H1 3059   3.891   1.812   6.410 -0.0215 -1.5944 -0.9349
+  537TIP3    H2 3060   3.840   1.729   6.526  0.2939 -0.9881 -0.3558
+  538TIP3   OH2 3061   2.651   1.145   0.860 -0.5641  0.0984 -0.3272
+  538TIP3    H1 3062   2.679   1.235   0.842 -1.0758  0.3825  0.2652
+  538TIP3    H2 3063   2.648   1.103   0.774  2.5567 -0.2204 -0.3340
+  539TIP3   OH2 3064   4.368   0.800   1.075 -0.5991  0.1180  0.4962
+  539TIP3    H1 3065   4.301   0.762   1.018 -0.6245  2.1673 -0.8977
+  539TIP3    H2 3066   4.389   0.884   1.034  2.2278 -0.1090  1.3632
+  540TIP3   OH2 3067   4.565   1.388   2.241 -0.1848 -0.3493 -0.2810
+  540TIP3    H1 3068   4.473   1.396   2.266 -0.0271 -1.4960  0.7415
+  540TIP3    H2 3069   4.566   1.316   2.178  0.0203 -0.4176 -0.1996
+  541TIP3   OH2 3070   2.062   1.903   1.723  0.3780  0.7273  0.2303
+  541TIP3    H1 3071   2.155   1.909   1.701  0.2591  1.3041 -0.1089
+  541TIP3    H2 3072   2.059   1.920   1.817  0.7822 -0.8202  0.5362
+  542TIP3   OH2 3073   2.270   6.537   2.180 -0.0183 -0.2053 -0.3927
+  542TIP3    H1 3074   2.360   6.556   2.208  0.1986  0.2641 -1.3946
+  542TIP3    H2 3075   2.216   6.588   2.240  0.3485 -1.0458  0.6737
+  543TIP3   OH2 3076   4.283   6.743   1.139  0.6332 -0.1793  0.2672
+  543TIP3    H1 3077   4.221   6.813   1.159  1.6118  1.1516 -1.2673
+  543TIP3    H2 3078   4.259   6.672   1.199 -3.3353 -0.2938 -1.3311
+  544TIP3   OH2 3079   2.505   6.466   1.941  0.0612 -0.2700  0.2934
+  544TIP3    H1 3080   2.454   6.385   1.938  1.5688 -1.3198  2.1250
+  544TIP3    H2 3081   2.518   6.488   1.849 -2.2710 -0.8593 -0.2289
+  545TIP3   OH2 3082   2.502   5.201   0.249  0.4109  0.0102 -0.2231
+  545TIP3    H1 3083   2.479   5.108   0.244 -0.5806  0.3152 -1.7919
+  545TIP3    H2 3084   2.592   5.202   0.282  0.2425 -1.4815  0.3057
+  546TIP3   OH2 3085   2.859   6.680   3.260  0.1377 -0.1522  0.5917
+  546TIP3    H1 3086   2.811   6.752   3.300 -1.1669 -2.0823  2.5832
+  546TIP3    H2 3087   2.945   6.681   3.304  0.5995  0.9567 -0.3056
+  547TIP3   OH2 3088   2.449   0.054   3.041 -0.2654  0.0612  0.1803
+  547TIP3    H1 3089   2.383   0.018   2.982 -0.3340  1.3133 -0.5199
+  547TIP3    H2 3090   2.477   0.136   3.000 -1.1058  1.5239  2.4173
+  548TIP3   OH2 3091   3.087   0.710   0.451 -0.3587  0.5548  0.0908
+  548TIP3    H1 3092   3.070   0.653   0.376  0.9518  0.5241 -0.2038
+  548TIP3    H2 3093   3.124   0.652   0.518 -1.2090  0.6430  0.6462
+  549TIP3   OH2 3094   1.675   2.946   1.365  0.2073 -0.2300 -0.0959
+  549TIP3    H1 3095   1.586   2.916   1.352  0.4914 -0.4464 -1.6245
+  549TIP3    H2 3096   1.669   3.011   1.436 -0.6967 -2.4152  1.9101
+  550TIP3   OH2 3097   1.936   1.988   0.391 -0.1599  0.3314  0.4529
+  550TIP3    H1 3098   1.990   2.002   0.469 -0.0428  2.4364  0.0090
+  550TIP3    H2 3099   1.997   1.997   0.318 -0.7269  0.7019  0.0241
+  551TIP3   OH2 3100   2.945   0.400   6.122 -0.5228  0.0377  0.4692
+  551TIP3    H1 3101   2.916   0.357   6.042  0.4487  1.3734 -0.6206
+  551TIP3    H2 3102   2.903   0.351   6.192 -2.5978 -0.2088 -0.9118
+  552TIP3   OH2 3103   3.509   0.961   2.160 -0.3933 -0.0456 -0.0188
+  552TIP3    H1 3104   3.486   1.054   2.164 -2.5506 -0.6095  1.7145
+  552TIP3    H2 3105   3.592   0.956   2.208 -0.1924  0.9991 -0.2267
+  553TIP3   OH2 3106   5.707   0.973   5.986  0.2584 -0.1885  0.7472
+  553TIP3    H1 3107   5.790   0.967   5.939  0.2035  0.2822  0.5819
+  553TIP3    H2 3108   5.651   0.908   5.945  0.1873  0.2690  0.1031
+  554TIP3   OH2 3109   4.349   2.907   6.742  0.2315  0.0563  0.0485
+  554TIP3    H1 3110   4.275   2.847   6.746  0.0322  0.3607  1.2585
+  554TIP3    H2 3111   4.381   2.912   6.832 -0.3038  2.4082  0.1438
+  555TIP3   OH2 3112   1.367   0.599   1.424  0.2915  0.4572  0.2343
+  555TIP3    H1 3113   1.343   0.691   1.416 -1.0802 -0.0894 -2.3543
+  555TIP3    H2 3114   1.352   0.562   1.337 -0.2096 -2.4372  1.4799
+  556TIP3   OH2 3115   5.668   1.186   6.396  0.4049  0.5309  0.4649
+  556TIP3    H1 3116   5.725   1.253   6.433  0.3140  1.0600 -0.3250
+  556TIP3    H2 3117   5.582   1.204   6.433  0.4618  0.6165  0.5559
+  557TIP3   OH2 3118   0.705   6.465   0.126 -0.1158 -0.3939 -0.5824
+  557TIP3    H1 3119   0.786   6.458   0.075  1.6558 -0.6942  2.2101
+  557TIP3    H2 3120   0.723   6.420   0.208 -1.9983  2.3793  1.4623
+  558TIP3   OH2 3121   4.701   2.008   2.459  0.5006  0.0770 -0.2799
+  558TIP3    H1 3122   4.660   1.998   2.544  0.2377 -0.1794 -0.4379
+  558TIP3    H2 3123   4.789   2.041   2.479  1.4285 -2.6183  0.2659
+  559TIP3   OH2 3124   3.896   5.231   6.479 -0.2705  0.7282  0.5690
+  559TIP3    H1 3125   3.879   5.325   6.476 -0.7278  0.6429  0.4257
+  559TIP3    H2 3126   3.949   5.214   6.401 -2.0868  0.5002 -0.6558
+  560TIP3   OH2 3127   3.800   2.165   1.171 -0.1397 -0.4334 -0.0122
+  560TIP3    H1 3128   3.751   2.206   1.100 -1.1227 -2.0031 -0.2528
+  560TIP3    H2 3129   3.738   2.104   1.211  1.2002 -1.4511  0.5475
+  561TIP3   OH2 3130   0.859   2.158   6.649  0.3114 -0.2590 -0.3360
+  561TIP3    H1 3131   0.782   2.203   6.684 -1.5412 -2.6652 -1.1619
+  561TIP3    H2 3132   0.924   2.164   6.719 -0.7989  1.2955  0.6060
+  562TIP3   OH2 3133   5.175   2.325   0.589  0.1750 -0.2019  0.2253
+  562TIP3    H1 3134   5.225   2.370   0.521 -0.1442  1.4389  1.0581
+  562TIP3    H2 3135   5.210   2.360   0.671 -2.1214  0.7678  0.8266
+  563TIP3   OH2 3136   3.442   5.436   5.910  0.3551  0.0069 -0.4629
+  563TIP3    H1 3137   3.377   5.476   5.967  0.4723 -0.1066 -0.2479
+  563TIP3    H2 3138   3.392   5.404   5.834  0.1245 -0.3228 -0.1723
+  564TIP3   OH2 3139   1.400   6.656   5.619  0.5005 -0.0524 -0.2939
+  564TIP3    H1 3140   1.483   6.700   5.638  0.6526 -0.6750  0.5248
+  564TIP3    H2 3141   1.395   6.586   5.684 -1.4872  1.0743  0.8440
+  565TIP3   OH2 3142   2.182   6.618   6.733  0.2953 -0.2119  0.1997
+  565TIP3    H1 3143   2.219   6.619   6.821  0.4858  0.2766  0.1152
+  565TIP3    H2 3144   2.113   6.552   6.737  0.2850 -0.1721  0.7218
+  566TIP3   OH2 3145   2.979   1.256   0.326 -0.3105  0.4310  0.3171
+  566TIP3    H1 3146   3.008   1.167   0.343 -0.7550  0.4256  1.1201
+  566TIP3    H2 3147   3.057   1.303   0.297  0.2766  0.1845  1.4910
+  567TIP3   OH2 3148   0.219   6.015   0.929 -0.7291  0.0876 -0.8042
+  567TIP3    H1 3149   0.235   5.944   0.991  0.8093  1.2763  0.2034
+  567TIP3    H2 3150   0.287   6.005   0.863  0.7090  1.7257  0.3731
+  568TIP3   OH2 3151   2.657   1.440   5.319  0.2417 -0.3133 -0.0222
+  568TIP3    H1 3152   2.630   1.478   5.235  0.2671 -1.6136 -0.6183
+  568TIP3    H2 3153   2.644   1.346   5.309  3.7255 -0.8839  0.1135
+  569TIP3   OH2 3154   4.560   6.293   1.593  0.3532 -0.8338 -0.3653
+  569TIP3    H1 3155   4.560   6.287   1.498  0.2510 -1.1412 -0.3452
+  569TIP3    H2 3156   4.651   6.316   1.615  0.0067  0.8532 -0.6333
+  570TIP3   OH2 3157   2.706   2.451   0.447  0.0339 -0.0424  0.4282
+  570TIP3    H1 3158   2.754   2.489   0.373  0.5074 -0.4535  0.5208
+  570TIP3    H2 3159   2.672   2.526   0.495  0.1133  0.2392  0.0454
+  571TIP3   OH2 3160   2.317   6.837   0.976  0.2258 -0.3476 -0.2756
+  571TIP3    H1 3161   2.314   6.920   1.025  0.4927 -0.3363 -0.2830
+  571TIP3    H2 3162   2.330   6.770   1.044 -0.3576 -0.4194 -0.2286
+  572TIP3   OH2 3163   1.174   2.335   0.194  0.1548  0.4032  0.2827
+  572TIP3    H1 3164   1.087   2.340   0.157 -0.3007  0.7570  1.3734
+  572TIP3    H2 3165   1.201   2.427   0.205  0.2744  0.3093  0.8110
+  573TIP3   OH2 3166   4.089   5.453   6.282 -0.1661  0.1903  0.1103
+  573TIP3    H1 3167   4.101   5.532   6.333 -0.7838 -1.1081  2.3117
+  573TIP3    H2 3168   3.996   5.451   6.261 -0.0566  0.3150 -0.3975
+  574TIP3   OH2 3169   1.393   1.435   0.571 -0.0514 -0.1545 -0.2989
+  574TIP3    H1 3170   1.448   1.504   0.608 -0.8677 -0.4527  1.5213
+  574TIP3    H2 3171   1.312   1.440   0.621 -0.6217 -1.5521 -1.0715
+  575TIP3   OH2 3172   1.361   0.422   1.649 -0.4843 -0.2832  0.0760
+  575TIP3    H1 3173   1.436   0.448   1.702  0.0995 -1.7577  0.0078
+  575TIP3    H2 3174   1.358   0.487   1.579  0.5516 -0.0325  0.2527
+  576TIP3   OH2 3175   2.943   5.566   6.096  0.1566 -0.0966 -0.1077
+  576TIP3    H1 3176   2.866   5.564   6.039 -0.7898 -1.6459  1.1566
+  576TIP3    H2 3177   2.907   5.567   6.184  1.6061  1.6663  0.4807
+  577TIP3   OH2 3178   1.123   4.337   2.971  0.3915  0.0746 -0.5863
+  577TIP3    H1 3179   1.169   4.321   3.054 -0.5497  0.2369 -0.0280
+  577TIP3    H2 3180   1.133   4.432   2.957 -1.0283  0.3757  0.3045
+  578TIP3   OH2 3181   1.623   6.256   1.006  0.4203  0.4668  0.4365
+  578TIP3    H1 3182   1.538   6.296   0.986 -0.1594 -0.6203  0.6677
+  578TIP3    H2 3183   1.626   6.253   1.101 -0.1289 -1.2279  0.4210
+  579TIP3   OH2 3184   0.265   1.103   1.514  0.3194 -0.6142 -0.0072
+  579TIP3    H1 3185   0.249   1.190   1.550  0.0088 -0.3403 -0.8129
+  579TIP3    H2 3186   0.356   1.084   1.538  0.5004  0.0756 -0.1472
+  580TIP3   OH2 3187   3.114   1.098   1.746  0.2710  0.2137  0.0791
+  580TIP3    H1 3188   3.075   1.185   1.753 -0.3840 -0.0323 -0.4123
+  580TIP3    H2 3189   3.097   1.072   1.655 -0.5940 -0.9282  0.5713
+  581TIP3   OH2 3190   4.381   1.419   1.312  0.0402  0.1122  0.4707
+  581TIP3    H1 3191   4.441   1.451   1.379  0.1472  0.1801  0.3411
+  581TIP3    H2 3192   4.325   1.495   1.292 -0.6306 -0.1914  1.1977
+  582TIP3   OH2 3193   2.339   6.114   6.641 -0.2397 -0.6216 -0.3202
+  582TIP3    H1 3194   2.293   6.090   6.722 -1.4429 -0.2997 -0.8902
+  582TIP3    H2 3195   2.289   6.188   6.607  0.8360 -0.1466 -0.8621
+  583TIP3   OH2 3196   1.906   1.697   0.050  0.4655 -0.0270 -0.6850
+  583TIP3    H1 3197   1.992   1.719   0.088  0.4990  0.4044 -1.0037
+  583TIP3    H2 3198   1.876   1.622   0.101  0.6446  0.3605  0.0054
+  584TIP3   OH2 3199   2.191   1.886   2.863 -0.5700  0.2565  0.7789
+  584TIP3    H1 3200   2.162   1.953   2.924  0.7898  1.0527  0.5777
+  584TIP3    H2 3201   2.162   1.917   2.777 -0.1496  0.4788  0.7144
+  585TIP3   OH2 3202   1.954   0.862   0.296 -0.1734 -0.0567 -0.2733
+  585TIP3    H1 3203   2.011   0.787   0.315 -0.9964 -0.7965 -0.7244
+  585TIP3    H2 3204   2.014   0.930   0.266  0.6847 -0.2335  0.9790
+  586TIP3   OH2 3205   5.175   0.202   0.333  0.1943 -0.5765 -0.6828
+  586TIP3    H1 3206   5.253   0.205   0.388 -0.1700  0.6488 -0.1904
+  586TIP3    H2 3207   5.113   0.149   0.383  1.0055 -2.3031 -1.4916
+  587TIP3   OH2 3208   4.113   0.674   6.158 -0.5042 -0.2477 -0.0677
+  587TIP3    H1 3209   4.065   0.748   6.121  0.7895  0.5812 -0.1529
+  587TIP3    H2 3210   4.186   0.661   6.098 -1.7354 -2.8172 -1.0787
+  588TIP3   OH2 3211   3.275   0.908   5.423  0.4515  0.1360  0.3746
+  588TIP3    H1 3212   3.253   1.000   5.406 -0.3220 -0.3107 -1.1709
+  588TIP3    H2 3213   3.316   0.909   5.509 -0.6184  1.7717  0.8984
+  589TIP3   OH2 3214   3.184   1.585   2.153 -0.1094  0.3148  0.2687
+  589TIP3    H1 3215   3.123   1.658   2.143  1.6052  2.1507  2.7373
+  589TIP3    H2 3216   3.153   1.537   2.230 -0.0652 -0.4015 -0.1519
+  590TIP3   OH2 3217   3.056   2.567   5.473  0.6253  0.6717 -0.3707
+  590TIP3    H1 3218   3.097   2.632   5.531  1.6468  1.5994 -2.0667
+  590TIP3    H2 3219   3.124   2.547   5.409 -0.8499  0.5576 -1.9378
+  591TIP3   OH2 3220   2.431   0.256   6.629 -0.2920 -0.4545  0.1375
+  591TIP3    H1 3221   2.499   0.295   6.575 -0.0345 -0.2007  0.6420
+  591TIP3    H2 3222   2.364   0.324   6.636 -0.7362 -0.8091 -0.6025
+  592TIP3   OH2 3223   3.169   0.285   0.320  0.5495  0.2152 -0.2925
+  592TIP3    H1 3224   3.251   0.278   0.370 -0.5342  0.0752  1.4900
+  592TIP3    H2 3225   3.151   0.196   0.291 -0.3517 -0.2065  1.5516
+  593TIP3   OH2 3226   3.536   6.320   5.585 -0.1139 -0.1910  0.3256
+  593TIP3    H1 3227   3.481   6.380   5.635 -1.2301 -0.6244 -0.3561
+  593TIP3    H2 3228   3.481   6.242   5.572  0.0746 -0.0046 -1.7460
+  594TIP3   OH2 3229   0.932   5.022   2.000 -0.0443 -0.2210  0.5279
+  594TIP3    H1 3230   1.022   4.991   1.996  0.0899  0.3414 -0.9899
+  594TIP3    H2 3231   0.898   5.012   1.911 -0.3331  2.9248  0.2157
+  595TIP3   OH2 3232   1.137   0.092   6.651 -0.0328  0.2542 -0.0639
+  595TIP3    H1 3233   1.049   0.130   6.644 -0.0744  0.3278  0.8461
+  595TIP3    H2 3234   1.126   0.019   6.712  0.7723  0.9986  0.9912
+  596TIP3   OH2 3235   0.716   5.306   0.601  0.4965 -0.0302 -0.1162
+  596TIP3    H1 3236   0.644   5.244   0.607  1.4819 -1.1152  0.5617
+  596TIP3    H2 3237   0.738   5.309   0.508  0.6951 -0.9636 -0.0968
+  597TIP3   OH2 3238   2.648   0.773  -0.005 -0.1231  0.2166 -0.0194
+  597TIP3    H1 3239   2.584   0.771   0.067 -0.0573 -0.0551  0.0288
+  597TIP3    H2 3240   2.725   0.816   0.033 -1.6506  4.2592 -1.1632
+  598TIP3   OH2 3241   5.171   5.847   0.566 -0.5572  0.2898 -0.7239
+  598TIP3    H1 3242   5.179   5.783   0.496  1.1404  0.8859 -1.1132
+  598TIP3    H2 3243   5.253   5.838   0.616 -1.2708  0.6158  0.5469
+  599TIP3   OH2 3244   2.187   2.054   5.845 -0.3232  0.7846 -0.1044
+  599TIP3    H1 3245   2.139   2.137   5.846  1.3197  1.7602 -0.1484
+  599TIP3    H2 3246   2.129   1.993   5.800 -1.2247  2.1210 -0.7688
+  600TIP3   OH2 3247   5.701   6.275   6.755  0.1948 -0.3038 -0.0573
+  600TIP3    H1 3248   5.716   6.194   6.707 -0.0597 -0.5958  0.3533
+  600TIP3    H2 3249   5.616   6.306   6.724 -0.1846 -0.7360  0.5414
+  601TIP3   OH2 3250   4.539   3.224   0.981 -0.5353  0.2640 -0.7011
+  601TIP3    H1 3251   4.596   3.170   1.036  1.2438  1.4634 -1.3069
+  601TIP3    H2 3252   4.507   3.164   0.913 -1.2353 -0.7800  0.5337
+  602TIP3   OH2 3253   1.918   2.579   5.901 -1.1612 -0.1510  0.3618
+  602TIP3    H1 3254   1.964   2.605   5.821 -2.1783 -0.2649 -0.2721
+  602TIP3    H2 3255   1.949   2.640   5.967  0.6176 -0.8174  0.1833
+  603TIP3   OH2 3256   2.253   3.356   1.700  0.5801  0.8118  0.7668
+  603TIP3    H1 3257   2.161   3.341   1.721  0.3323  1.4093  0.1147
+  603TIP3    H2 3258   2.262   3.452   1.701  0.9686  0.7857 -0.1361
+  604TIP3   OH2 3259   2.470   0.196   0.193  0.4232  0.0593 -0.0536
+  604TIP3    H1 3260   2.466   0.260   0.122 -0.4975  1.3052  1.0889
+  604TIP3    H2 3261   2.487   0.249   0.271  1.2940 -1.2779  0.6680
+  605TIP3   OH2 3262   3.002   6.210   2.339 -0.5006  0.2005 -0.5171
+  605TIP3    H1 3263   2.999   6.305   2.327 -1.1572  0.3793  0.8538
+  605TIP3    H2 3264   2.929   6.192   2.398  0.6993 -0.9219  0.6556
+  606TIP3   OH2 3265   1.784   3.439   5.614  0.5583 -0.1599  0.4519
+  606TIP3    H1 3266   1.723   3.385   5.564 -2.1082  0.2457  3.1962
+  606TIP3    H2 3267   1.843   3.376   5.656 -2.1735 -1.0083  3.1708
+  607TIP3   OH2 3268   4.055   1.845   1.639  0.3064 -0.0761  0.0097
+  607TIP3    H1 3269   4.106   1.923   1.622  0.5875 -0.2465  0.0741
+  607TIP3    H2 3270   3.977   1.855   1.584  0.6503 -0.0632 -0.4783
+  608TIP3   OH2 3271   5.640   6.287   6.095 -0.4849  0.4223  0.3422
+  608TIP3    H1 3272   5.636   6.197   6.129 -0.4210  0.5275  0.6364
+  608TIP3    H2 3273   5.573   6.291   6.027 -0.7010  0.2398  0.5425
+  609TIP3   OH2 3274   5.299   6.558   1.149 -0.2696  0.0426  0.1301
+  609TIP3    H1 3275   5.383   6.603   1.161  0.7289 -1.3728 -1.4035
+  609TIP3    H2 3276   5.275   6.529   1.237  0.3222  1.3395  0.7459
+  610TIP3   OH2 3277   2.510   3.585   5.931 -0.1352 -0.2767  0.0166
+  610TIP3    H1 3278   2.593   3.584   5.884 -1.1565  0.0196 -1.7997
+  610TIP3    H2 3279   2.517   3.512   5.992  0.4536 -1.8453 -1.8890
+  611TIP3   OH2 3280   4.866   1.873   0.201  0.4667  0.5171  0.2325
+  611TIP3    H1 3281   4.904   1.902   0.118  1.1107  0.4533  0.5024
+  611TIP3    H2 3282   4.867   1.778   0.197 -2.4816  0.4876 -1.0305
+  612TIP3   OH2 3283   6.593   4.969   0.226 -0.2240  0.5918 -0.4946
+  612TIP3    H1 3284   6.513   4.934   0.186 -1.0771  0.6126  1.1688
+  612TIP3    H2 3285   6.606   5.053   0.183 -1.9983  1.3179  0.3145
+  613TIP3   OH2 3286   3.186   1.932   1.655  0.5199 -0.7630  0.1707
+  613TIP3    H1 3287   3.123   1.860   1.658 -1.7832  1.2050  0.4356
+  613TIP3    H2 3288   3.193   1.961   1.746  0.8617 -0.1522 -0.0481
+  614TIP3   OH2 3289   2.736   0.442   0.258  0.2925 -0.0849  0.2624
+  614TIP3    H1 3290   2.785   0.518   0.289 -0.0055 -0.2562  1.1953
+  614TIP3    H2 3291   2.653   0.446   0.306  0.1208 -0.7778  0.0334
+  615TIP3   OH2 3292   5.127   2.585   2.118 -0.0066 -0.0334  0.2956
+  615TIP3    H1 3293   5.058   2.600   2.053  1.7801  0.3996 -1.5548
+  615TIP3    H2 3294   5.085   2.601   2.202 -2.5818 -1.2885 -0.6791
+  616TIP3   OH2 3295   5.715   1.905   3.340 -0.4703 -0.1384  0.1941
+  616TIP3    H1 3296   5.786   1.850   3.305 -1.0613 -0.3336 -0.6969
+  616TIP3    H2 3297   5.660   1.843   3.389 -1.0750 -0.3233 -0.7164
+  617TIP3   OH2 3298   0.173   1.653   6.489  1.3706 -0.1323 -0.0395
+  617TIP3    H1 3299   0.151   1.569   6.529  1.3279  0.3366  0.9366
+  617TIP3    H2 3300   0.098   1.673   6.432 -0.0446  0.7135  2.0725
+  618TIP3   OH2 3301   5.564   1.898   4.232 -0.5618 -1.0361  0.0290
+  618TIP3    H1 3302   5.490   1.840   4.251 -0.5705 -1.0640 -0.0886
+  618TIP3    H2 3303   5.636   1.861   4.283  0.0388 -2.5390 -1.8374
+  619TIP3   OH2 3304   3.398   6.520   5.729  0.1992 -0.1194  0.5096
+  619TIP3    H1 3305   3.306   6.525   5.756  0.5613 -0.3609  1.8093
+  619TIP3    H2 3306   3.399   6.562   5.642 -1.2742 -0.8687  0.1051
+  620TIP3   OH2 3307   5.598   6.773   2.886  0.1013  0.2264 -0.2245
+  620TIP3    H1 3308   5.649   6.816   2.954  2.9900 -1.1211 -1.4470
+  620TIP3    H2 3309   5.529   6.725   2.933  0.2047  1.7336  1.4783
+  621TIP3   OH2 3310   2.420   2.477   0.097 -0.2673  0.1441  0.4927
+  621TIP3    H1 3311   2.338   2.455   0.054  0.3416 -0.2637 -0.4691
+  621TIP3    H2 3312   2.454   2.394   0.130 -0.0326  0.2499  0.5229
+  622TIP3   OH2 3313   2.915   0.798   1.160 -0.3918 -0.7751  0.3305
+  622TIP3    H1 3314   2.885   0.866   1.099  0.3519 -0.4852  0.2831
+  622TIP3    H2 3315   2.835   0.766   1.201 -0.6879  0.7311  0.9756
+  623TIP3   OH2 3316   4.854   1.631   3.526 -0.7508 -0.9033  0.4623
+  623TIP3    H1 3317   4.766   1.658   3.501 -0.6650  1.2502  2.3258
+  623TIP3    H2 3318   4.899   1.614   3.443 -2.2156  0.2267 -0.5741
+  624TIP3   OH2 3319   5.810   0.858   1.435 -0.1415 -0.9039 -0.0242
+  624TIP3    H1 3320   5.832   0.890   1.347  2.5080  1.8510  1.5491
+  624TIP3    H2 3321   5.867   0.782   1.447  0.7607 -0.2471 -0.0647
+  625TIP3   OH2 3322   6.228   3.015   0.390 -0.2574  0.4857  0.3281
+  625TIP3    H1 3323   6.272   3.093   0.356  1.3325 -0.1852  0.7691
+  625TIP3    H2 3324   6.137   3.041   0.400 -0.3843  1.3643 -2.4403
+  626TIP3   OH2 3325   5.443   0.271   0.033  0.4043  0.5457  0.1540
+  626TIP3    H1 3326   5.445   0.180   0.061  1.7865 -0.0558 -1.8221
+  626TIP3    H2 3327   5.351   0.288   0.013  0.3584 -0.8721 -0.9074
+  627TIP3   OH2 3328   5.915   6.352   6.032  0.1071  0.2007  0.5886
+  627TIP3    H1 3329   5.825   6.327   6.051 -0.4465  2.3727  0.8931
+  627TIP3    H2 3330   5.922   6.348   5.937  0.5438 -2.7351  0.6937
+  628TIP3   OH2 3331   4.594   5.506   0.304  0.9724  0.4779 -0.0202
+  628TIP3    H1 3332   4.646   5.507   0.223 -0.0592  0.3489 -0.6954
+  628TIP3    H2 3333   4.505   5.522   0.275  0.4244 -0.6948  0.9932
+  629TIP3   OH2 3334   3.524   2.168   6.002  0.1936 -0.4369 -0.3913
+  629TIP3    H1 3335   3.495   2.228   6.071  2.2945  0.6810 -0.4604
+  629TIP3    H2 3336   3.601   2.125   6.038 -0.8880 -2.6226 -0.6193
+  630TIP3   OH2 3337   4.902   1.617   0.103 -0.3439 -0.3476  0.0570
+  630TIP3    H1 3338   4.959   1.566   0.045 -0.2405 -1.3159  0.9985
+  630TIP3    H2 3339   4.878   1.556   0.173  1.6082  1.5388  2.4472
+  631TIP3   OH2 3340   6.440   1.505   6.772 -0.0245  0.4609 -0.0014
+  631TIP3    H1 3341   6.442   1.486   6.865 -1.7949  0.7988  0.1160
+  631TIP3    H2 3342   6.517   1.460   6.737 -0.5501 -1.5223  1.2729
+  632TIP3   OH2 3343   4.178   6.450   3.024  0.0002 -0.6025  0.1396
+  632TIP3    H1 3344   4.206   6.389   2.956 -0.8865 -0.8127 -0.0412
+  632TIP3    H2 3345   4.092   6.419   3.051 -1.6544  2.0224 -1.7763
+  633TIP3   OH2 3346   5.964   6.439   1.719  0.1219 -0.0268  0.1579
+  633TIP3    H1 3347   5.881   6.427   1.672  0.7053 -0.7819 -0.6856
+  633TIP3    H2 3348   5.983   6.532   1.711 -0.3052  0.0280 -0.2291
+  634TIP3   OH2 3349   1.510   2.243   0.070 -0.0241 -0.1731  0.3750
+  634TIP3    H1 3350   1.470   2.325   0.098 -1.8238 -1.2184  0.9205
+  634TIP3    H2 3351   1.528   2.196   0.151  1.4915 -0.1125  0.0894
+  635TIP3   OH2 3352   6.096   2.324   0.460  0.5765 -0.3028 -0.1891
+  635TIP3    H1 3353   6.147   2.386   0.513 -0.4931 -0.8258  1.4984
+  635TIP3    H2 3354   6.054   2.378   0.393 -1.1189  0.9868  1.8521
+  636TIP3   OH2 3355   5.483   1.428   2.189 -0.0415 -0.0297  0.9535
+  636TIP3    H1 3356   5.555   1.438   2.128  0.0648 -0.0347  1.0778
+  636TIP3    H2 3357   5.525   1.408   2.273 -0.1629  0.6118  1.1659
+  637TIP3   OH2 3358   5.991   1.086   1.336  0.1147  0.0712 -0.0616
+  637TIP3    H1 3359   5.918   1.068   1.277 -0.9188  2.6386  0.3478
+  637TIP3    H2 3360   6.029   1.168   1.303  1.5890 -0.1962  0.9019
+  638TIP3   OH2 3361   6.283   5.941   0.206 -0.1898 -0.1459 -0.0153
+  638TIP3    H1 3362   6.276   5.976   0.117 -1.1192 -0.9474 -0.2735
+  638TIP3    H2 3363   6.376   5.946   0.227 -0.0099  0.3832 -0.8943
+  639TIP3   OH2 3364   6.499   2.524   6.128  0.5690  0.3303  0.1985
+  639TIP3    H1 3365   6.441   2.449   6.141 -1.6987  2.0145  0.1743
+  639TIP3    H2 3366   6.489   2.576   6.208 -0.0002  1.9515 -0.8928
+  640TIP3   OH2 3367   4.947   0.552   5.964  0.3706 -0.8580  0.1359
+  640TIP3    H1 3368   4.990   0.520   6.043  2.4434  1.3494 -0.0353
+  640TIP3    H2 3369   4.889   0.621   5.996  0.6911 -0.4367 -0.1955
+  641TIP3   OH2 3370   5.773   6.490   0.731 -0.5172 -0.1111 -0.2338
+  641TIP3    H1 3371   5.684   6.486   0.697 -0.4214  1.8704 -0.7823
+  641TIP3    H2 3372   5.829   6.484   0.654 -0.1755 -1.1283  0.0886
+  642TIP3   OH2 3373   3.181   6.009   5.963  0.0955 -0.3578 -0.5125
+  642TIP3    H1 3374   3.232   6.008   5.883 -1.6750 -1.8896 -1.6566
+  642TIP3    H2 3375   3.173   5.917   5.989 -1.5116 -0.1077 -0.0178
+  643TIP3   OH2 3376   5.767   0.992   1.192  0.0765 -0.5747  0.0872
+  643TIP3    H1 3377   5.752   0.937   1.114  0.4091 -0.3787 -0.1157
+  643TIP3    H2 3378   5.700   1.061   1.185  1.2588  0.4892 -0.9943
+  644TIP3   OH2 3379   6.359   5.589   0.722 -0.1682  0.1486  0.1149
+  644TIP3    H1 3380   6.330   5.499   0.710  0.6243 -0.3913  2.0064
+  644TIP3    H2 3381   6.344   5.607   0.815  1.5650  1.2633  0.2133
+  645TIP3   OH2 3382   5.781   1.675   1.893  0.0460  0.2056 -0.2598
+  645TIP3    H1 3383   5.846   1.648   1.827 -0.3602 -0.2646 -0.4745
+  645TIP3    H2 3384   5.811   1.761   1.922  1.4439 -0.5224  0.5287
+  646TIP3   OH2 3385   5.601   1.238   0.605  0.1584  0.0932  0.5758
+  646TIP3    H1 3386   5.618   1.173   0.673  0.2991  1.9728  2.4048
+  646TIP3    H2 3387   5.673   1.301   0.614  1.4643 -0.8165 -2.8760
+  647TIP3   OH2 3388   4.774   6.436   1.017  0.2768 -0.0867 -0.0254
+  647TIP3    H1 3389   4.792   6.456   0.925 -0.8372 -2.6632 -0.8649
+  647TIP3    H2 3390   4.679   6.442   1.024  0.2047 -1.6644  0.4932
+  648TIP3   OH2 3391   5.270   6.594   6.760  0.3417 -0.3473 -0.2185
+  648TIP3    H1 3392   5.177   6.610   6.745  0.3894 -2.2214 -2.8528
+  648TIP3    H2 3393   5.315   6.657   6.703  0.7371  0.8767  1.3988
+  649TIP3   OH2 3394   6.375   1.873   5.971 -0.3605 -0.3906  0.2727
+  649TIP3    H1 3395   6.319   1.825   6.031 -2.0664  1.2855  0.0555
+  649TIP3    H2 3396   6.328   1.872   5.888  0.3600  0.2389 -0.1497
+  650TIP3   OH2 3397   4.478   5.540   5.577 -0.4436  0.8847  0.4071
+  650TIP3    H1 3398   4.401   5.579   5.536 -1.3579 -1.4328 -0.1493
+  650TIP3    H2 3399   4.443   5.485   5.647  0.5433 -1.7827 -1.1255
+  651TIP3   OH2 3400   1.289   1.526   0.942  0.1614  0.0663  0.1437
+  651TIP3    H1 3401   1.304   1.435   0.967  0.7252 -0.2957 -1.4444
+  651TIP3    H2 3402   1.297   1.575   1.024 -0.7133 -1.3654  1.1151
+  652TIP3   OH2 3403   3.082   2.086   0.997  0.5592  0.1143  0.4235
+  652TIP3    H1 3404   3.102   2.013   1.055 -0.1086  0.0425  0.5653
+  652TIP3    H2 3405   3.136   2.158   1.030  0.9701 -0.2182  0.4850
+  653TIP3   OH2 3406   6.686   1.463   5.726  0.3154 -0.5069  0.1434
+  653TIP3    H1 3407   6.654   1.518   5.797  2.0394  0.7672 -0.0242
+  653TIP3    H2 3408   6.618   1.396   5.714 -0.9828  0.5365  1.5335
+  654TIP3   OH2 3409   2.776   5.421   1.499  0.1918  0.4370  0.2611
+  654TIP3    H1 3410   2.838   5.357   1.463  0.0960 -0.6534  1.9403
+  654TIP3    H2 3411   2.706   5.427   1.434 -0.7875 -2.7039  0.8972
+  655TIP3   OH2 3412   4.992  -0.000   5.518  0.3877  0.3997 -0.6345
+  655TIP3    H1 3413   4.972   0.090   5.495 -2.1423  0.5454  1.7773
+  655TIP3    H2 3414   4.936  -0.018   5.594  1.1969 -3.0351 -0.7651
+  656TIP3   OH2 3415   6.774   2.452   0.932 -0.9316 -0.4894  0.3052
+  656TIP3    H1 3416   6.862   2.481   0.908 -0.6140 -1.6386  0.0662
+  656TIP3    H2 3417   6.761   2.486   1.021 -0.1500 -0.5310  0.4376
+  657TIP3   OH2 3418   4.902   0.409   1.730  0.0378 -0.2420  0.3138
+  657TIP3    H1 3419   4.817   0.406   1.686  1.8231 -2.1995 -3.2212
+  657TIP3    H2 3420   4.923   0.503   1.736 -2.1954  0.2360  0.9909
+  658TIP3   OH2 3421   4.321   6.282   6.583  0.4988 -0.2367  1.1070
+  658TIP3    H1 3422   4.361   6.225   6.649  0.6543  1.2909  2.3358
+  658TIP3    H2 3423   4.261   6.337   6.631  0.1625  0.4900 -0.1224
+  659TIP3   OH2 3424   2.052   2.278   0.373  0.4910 -0.3585 -0.1285
+  659TIP3    H1 3425   2.093   2.364   0.367  0.3648 -0.2770  0.1798
+  659TIP3    H2 3426   1.965   2.289   0.334  0.7397 -0.5184 -0.7340
+  660TIP3   OH2 3427   6.206   6.097   6.128  0.1246 -0.2167 -0.2489
+  660TIP3    H1 3428   6.138   6.123   6.190  1.7330 -0.5802  1.6955
+  660TIP3    H2 3429   6.287   6.099   6.178  1.8220  1.6951 -2.9029
+  661TIP3   OH2 3430   3.795   5.711   0.747 -0.2251  0.3044 -0.4679
+  661TIP3    H1 3431   3.742   5.646   0.793 -0.0330  0.8384  0.5191
+  661TIP3    H2 3432   3.732   5.777   0.718 -0.1563  0.7357  0.3565
+  662TIP3   OH2 3433   6.528   1.541   1.577 -0.1806  0.0118  0.3524
+  662TIP3    H1 3434   6.482   1.489   1.643 -1.6200 -0.3165 -0.8895
+  662TIP3    H2 3435   6.621   1.527   1.596 -0.5880 -0.1494  2.2442
+  663TIP3   OH2 3436   2.439   4.928   6.145 -0.2162  0.6317 -0.2954
+  663TIP3    H1 3437   2.403   4.887   6.224  3.8925 -0.2310  1.2750
+  663TIP3    H2 3438   2.431   4.862   6.077  1.0483 -0.6725  0.7820
+  664TIP3   OH2 3439   2.305   0.901   0.468 -0.0539  0.1576  0.4115
+  664TIP3    H1 3440   2.327   0.993   0.478  0.4748  0.1321 -0.4861
+  664TIP3    H2 3441   2.258   0.879   0.549  0.1038  1.1187  0.7744
+  665TIP3   OH2 3442   6.231   1.640   1.459 -0.5064  0.0575 -0.3745
+  665TIP3    H1 3443   6.237   1.597   1.374 -1.0999 -1.2276  0.2229
+  665TIP3    H2 3444   6.308   1.608   1.507 -1.5074 -1.1989  0.4391
+  666TIP3   OH2 3445   4.977   6.294   6.195 -0.0888  0.0343 -0.2901
+  666TIP3    H1 3446   5.065   6.331   6.193 -0.0220 -0.0758  0.3369
+  666TIP3    H2 3447   4.987   6.211   6.242 -0.4690 -0.1249 -0.4887
+  667TIP3   OH2 3448   0.979   1.043   6.672 -0.3980 -0.2228  0.1242
+  667TIP3    H1 3449   1.072   1.021   6.670 -0.4652 -0.8540  2.4344
+  667TIP3    H2 3450   0.937   0.969   6.716 -2.1059 -0.2682 -1.5113
+  668TIP3   OH2 3451   4.193   1.735   6.572  0.2238 -0.3236  0.4758
+  668TIP3    H1 3452   4.099   1.749   6.574  0.3297  0.4384  0.2550
+  668TIP3    H2 3453   4.225   1.773   6.654  0.7811  2.8275 -1.1212
+  669TIP3   OH2 3454   3.404   6.674   5.508 -0.5838 -0.0220 -0.1470
+  669TIP3    H1 3455   3.325   6.728   5.499 -0.3230  0.2479 -0.8234
+  669TIP3    H2 3456   3.466   6.712   5.445 -0.0860 -0.5443  0.0305
+  670TIP3   OH2 3457   6.328   1.524   1.198  0.4207  0.4070  0.0519
+  670TIP3    H1 3458   6.308   1.452   1.139  0.7669 -0.0195  0.4477
+  670TIP3    H2 3459   6.423   1.522   1.208  0.4819  1.2350 -0.3300
+  671TIP3   OH2 3460   5.839   6.711   0.884 -0.2671 -0.2252  0.3999
+  671TIP3    H1 3461   5.815   6.628   0.844  1.9576 -0.8757  0.3347
+  671TIP3    H2 3462   5.798   6.778   0.829  0.4351 -1.1956 -1.3180
+  672TIP3   OH2 3463   6.504   1.646   1.957 -0.1116  0.3454  0.1443
+  672TIP3    H1 3464   6.595   1.620   1.966  0.2413  1.5221 -0.0095
+  672TIP3    H2 3465   6.507   1.737   1.928 -1.3308  0.3492 -0.0081
+  673TIP3   OH2 3466   4.972   0.629   0.954  0.0953 -0.0132  0.1164
+  673TIP3    H1 3467   5.059   0.607   0.987 -0.3632 -1.8358  0.1701
+  673TIP3    H2 3468   4.925   0.546   0.956 -0.2830  0.0156 -4.0649
+  674TIP3   OH2 3469   4.941   5.452   5.427  0.1896 -0.3582  0.0666
+  674TIP3    H1 3470   4.895   5.524   5.471 -0.3375 -0.2218 -0.6968
+  674TIP3    H2 3471   4.878   5.381   5.424 -0.2070  0.0473 -1.5706
+  675TIP3   OH2 3472   4.999   1.095   0.885  0.2916 -0.2609  0.2584
+  675TIP3    H1 3473   4.967   1.185   0.890 -1.0121 -0.7545  0.9322
+  675TIP3    H2 3474   5.086   1.103   0.845 -0.8803  1.0365 -2.0858
+  676TIP3   OH2 3475   3.623   5.788   6.128 -0.6157 -0.3415  0.1381
+  676TIP3    H1 3476   3.620   5.702   6.171  0.2733  0.7429  2.4642
+  676TIP3    H2 3477   3.636   5.850   6.200  0.7145  1.5778 -1.7122
+  677TIP3   OH2 3478   6.115   1.251   5.954 -0.4386 -0.2032 -0.0043
+  677TIP3    H1 3479   6.087   1.339   5.928 -1.1902 -0.4420 -0.0127
+  677TIP3    H2 3480   6.049   1.193   5.916  1.5617 -1.0025 -2.3496
+  678TIP3   OH2 3481   3.084   2.159   2.264  0.0359  0.3576 -0.3735
+  678TIP3    H1 3482   3.018   2.127   2.203  0.3001  0.1595 -0.5569
+  678TIP3    H2 3483   3.072   2.254   2.264 -0.3794  0.3079 -0.2523
+  679TIP3   OH2 3484   3.212   5.774   1.471  0.1602  0.4654  0.1346
+  679TIP3    H1 3485   3.123   5.747   1.495 -0.4877  0.8163 -1.7133
+  679TIP3    H2 3486   3.204   5.867   1.450  0.4440  0.0162 -2.1957
+  680TIP3   OH2 3487   4.632   1.684   0.100  0.1963  0.2784 -0.3048
+  680TIP3    H1 3488   4.589   1.605   0.135 -0.8944  0.7288 -0.5941
+  680TIP3    H2 3489   4.725   1.664   0.102 -0.0553 -0.8999 -0.0682
+  681TIP3   OH2 3490   5.644   0.666   6.616 -0.0766 -0.0890  0.8000
+  681TIP3    H1 3491   5.636   0.585   6.665  0.3375  0.3322  1.5707
+  681TIP3    H2 3492   5.553   0.690   6.594 -0.4431  0.7811  3.1216
+  682TIP3   OH2 3493   4.334   4.598   1.048  0.5959 -0.5562  0.1231
+  682TIP3    H1 3494   4.336   4.680   1.000  0.3466  0.2360  1.4562
+  682TIP3    H2 3495   4.364   4.620   1.136 -1.0313 -1.5673  0.9681
+  683TIP3   OH2 3496   4.877   1.529   0.561  0.2619 -0.0281 -0.3772
+  683TIP3    H1 3497   4.936   1.600   0.536 -0.4319  0.2903 -1.1100
+  683TIP3    H2 3498   4.789   1.564   0.548 -0.0934 -1.1281 -1.0542
+  684TIP3   OH2 3499   6.577   6.688   1.928  0.6822 -0.1115  0.4972
+  684TIP3    H1 3500   6.522   6.664   2.003  0.4042  0.8553  0.6095
+  684TIP3    H2 3501   6.643   6.748   1.964  0.1035  0.9373 -0.1597
+  685TIP3   OH2 3502   4.450   6.517   1.242  0.3286 -0.5465  0.3436
+  685TIP3    H1 3503   4.419   6.568   1.317  0.5078  0.7401 -0.4449
+  685TIP3    H2 3504   4.501   6.447   1.281  2.5852  1.5722  1.3500
+  686TIP3   OH2 3505   6.310   5.673   0.992  0.1357  0.1300  0.6966
+  686TIP3    H1 3506   6.330   5.592   1.038  1.3485 -0.1053 -0.2435
+  686TIP3    H2 3507   6.280   5.733   1.061  1.5049 -0.3557  1.7328
+  687TIP3   OH2 3508   0.473   4.160   1.911 -0.7955 -0.0998  0.2533
+  687TIP3    H1 3509   0.547   4.135   1.856 -0.2664  0.4169  0.7254
+  687TIP3    H2 3510   0.415   4.208   1.852  0.2312  1.3050  0.3584
+  688TIP3   OH2 3511   5.570   1.086   6.791  0.1934  0.2814 -0.2761
+  688TIP3    H1 3512   5.535   1.011   6.840 -1.1790 -0.4348 -2.3135
+  688TIP3    H2 3513   5.589   1.151   6.859 -1.7561 -0.6380  1.2182
+  689TIP3   OH2 3514   5.267   1.809   0.338  0.5780 -0.4242  0.7419
+  689TIP3    H1 3515   5.352   1.764   0.337  0.2939 -0.9661 -2.0716
+  689TIP3    H2 3516   5.281   1.888   0.287 -0.6008 -0.5074  0.2681
+  690TIP3   OH2 3517   5.319   1.751   1.064 -0.3732  0.0091  0.6574
+  690TIP3    H1 3518   5.389   1.735   1.127 -0.8050 -0.0911  1.1159
+  690TIP3    H2 3519   5.269   1.669   1.062  0.7959 -0.6987 -1.3008
+  691TIP3   OH2 3520   5.695   5.900   0.697  0.1427 -0.7051 -0.2993
+  691TIP3    H1 3521   5.717   5.883   0.788  0.6044 -2.6918 -0.7530
+  691TIP3    H2 3522   5.776   5.883   0.649 -0.2332 -0.1722 -1.1505
+  692TIP3   OH2 3523   6.805   0.124   3.543 -0.0493 -0.4506 -0.6788
+  692TIP3    H1 3524   6.724   0.126   3.492 -1.1497 -0.9482  0.9837
+  692TIP3    H2 3525   6.777   0.147   3.632  1.7482  0.0129 -0.2176
+  693TIP3   OH2 3526   3.738   6.062   0.310 -0.1677 -0.1386  0.1187
+  693TIP3    H1 3527   3.816   6.023   0.269  0.4904 -0.5148  1.7030
+  693TIP3    H2 3528   3.682   6.084   0.236  1.5022  0.2788 -1.0680
+  694TIP3   OH2 3529   3.964   5.994   5.377  0.0522 -0.0013  0.4152
+  694TIP3    H1 3530   4.022   6.053   5.426  0.4674  1.0463 -1.2870
+  694TIP3    H2 3531   4.023   5.947   5.318 -0.6419 -0.0244 -0.2699
+  695TIP3   OH2 3532   4.402   0.992   1.551 -0.2138  0.0527 -0.1387
+  695TIP3    H1 3533   4.337   1.057   1.527 -1.0221 -0.8315 -0.3562
+  695TIP3    H2 3534   4.394   0.923   1.485  2.7404  1.1293 -1.7524
+  696TIP3   OH2 3535   4.363   1.563   0.528  1.0377 -0.3992 -0.6246
+  696TIP3    H1 3536   4.381   1.479   0.486  1.1048 -0.4665 -0.4633
+  696TIP3    H2 3537   4.324   1.617   0.459 -1.2717 -1.3412 -0.1129
+  697TIP3   OH2 3538   4.707   6.472   0.291 -0.9762  0.5446  0.1827
+  697TIP3    H1 3539   4.752   6.465   0.375  0.0648  0.4138 -0.3872
+  697TIP3    H2 3540   4.765   6.525   0.237 -0.8276 -0.8339 -1.0223
+  698TIP3   OH2 3541   6.480   0.871   0.975 -0.2692 -0.0528 -0.2006
+  698TIP3    H1 3542   6.446   0.844   0.889  1.4737 -0.3474 -0.8148
+  698TIP3    H2 3543   6.573   0.884   0.961 -0.0074  0.1473  1.6137
+  699TIP3   OH2 3544   5.193   6.344   0.300 -0.1000 -0.1629  0.8104
+  699TIP3    H1 3545   5.165   6.261   0.339 -1.9103  0.1841  0.2888
+  699TIP3    H2 3546   5.269   6.320   0.245  0.0246 -1.2948  1.4597
+  700TIP3   OH2 3547   0.080   2.177   1.049 -0.0226  0.5321 -0.0635
+  700TIP3    H1 3548   0.104   2.134   1.131 -0.6190 -0.8980 -0.6330
+  700TIP3    H2 3549  -0.015   2.183   1.052  0.0414  1.7271 -0.0461
+  701TIP3   OH2 3550   6.609   5.343   1.801  0.2117  0.4393  0.0004
+  701TIP3    H1 3551   6.623   5.287   1.878  1.8025  0.5459 -0.2059
+  701TIP3    H2 3552   6.689   5.333   1.749  0.4651  2.8235 -0.0942
+  702TIP3   OH2 3553   4.306   0.565   2.194 -0.1478 -0.0115  0.3754
+  702TIP3    H1 3554   4.334   0.534   2.281  0.3667  1.5029  0.7662
+  702TIP3    H2 3555   4.225   0.518   2.177 -0.5516  0.0863  1.9286
+  703TIP3   OH2 3556   4.576   6.815   1.142 -0.0571 -0.1209 -0.1703
+  703TIP3    H1 3557   4.622   6.748   1.192 -0.7076  0.3765  1.1278
+  703TIP3    H2 3558   4.487   6.782   1.134  0.1150 -0.3458 -1.3085
+  704TIP3   OH2 3559   4.064   6.212   6.025 -0.0004  0.1573 -0.1760
+  704TIP3    H1 3560   4.080   6.152   5.952  1.0579  1.6744 -1.2085
+  704TIP3    H2 3561   3.976   6.245   6.010 -0.1521 -0.2785 -0.2383
+  705TIP3   OH2 3562   5.727   5.875   6.015 -0.5753  0.3719  0.2770
+  705TIP3    H1 3563   5.819   5.866   6.042 -0.4805  1.3069  0.2716
+  705TIP3    H2 3564   5.719   5.816   5.939  0.1765  0.7307 -0.0881
+  706TIP3   OH2 3565   5.641   0.554   2.975 -0.3897  1.0389  0.6973
+  706TIP3    H1 3566   5.604   0.505   3.049 -1.6324  0.9322  0.0304
+  706TIP3    H2 3567   5.626   0.646   2.997 -4.8924  0.9645 -1.3781
+  707TIP3   OH2 3568   4.860   5.887   5.671 -0.1957  0.0533 -0.4807
+  707TIP3    H1 3569   4.947   5.854   5.650  1.0185  2.5485  0.3855
+  707TIP3    H2 3570   4.867   5.917   5.762 -1.6695  1.1588 -0.7165
+  708TIP3   OH2 3571   5.338   0.802   2.025  0.0359 -0.0787 -0.0658
+  708TIP3    H1 3572   5.372   0.892   2.019  0.6675 -0.3938 -1.4086
+  708TIP3    H2 3573   5.296   0.787   1.941  1.4706 -1.6410 -0.5280
+  709TIP3   OH2 3574   5.252   1.719   2.286 -0.7694  0.2228 -0.4022
+  709TIP3    H1 3575   5.211   1.765   2.358 -3.1167 -0.7838 -1.0583
+  709TIP3    H2 3576   5.201   1.743   2.209  0.5849 -0.1443 -1.4436
+  710TIP3   OH2 3577   4.884   2.107   0.626 -0.1299 -0.4619  0.0310
+  710TIP3    H1 3578   4.855   2.196   0.606 -0.7340  0.1237  3.3480
+  710TIP3    H2 3579   4.965   2.097   0.576 -0.2407  1.8176 -0.6576
+  711TIP3   OH2 3580   5.562   5.686   0.349  0.1394 -0.3481  0.4717
+  711TIP3    H1 3581   5.534   5.643   0.430  1.5176 -0.2887  1.0077
+  711TIP3    H2 3582   5.649   5.722   0.370  0.3144  0.0727 -0.8915
+  712TIP3   OH2 3583   2.882   2.082   0.333 -0.3487  0.1743  0.2034
+  712TIP3    H1 3584   2.814   2.122   0.279 -1.2851 -0.2753  1.0341
+  712TIP3    H2 3585   2.850   1.994   0.350  1.7783 -1.0059 -1.7350
+  713TIP3   OH2 3586   5.635   6.078   1.247  0.2592 -0.1909 -0.0187
+  713TIP3    H1 3587   5.589   6.092   1.330  0.9122  4.8542 -0.3428
+  713TIP3    H2 3588   5.727   6.071   1.271  0.6201  2.7215 -0.2868
+  714TIP3   OH2 3589   3.961   0.249   3.930  0.1740 -0.3452 -0.4052
+  714TIP3    H1 3590   3.985   0.273   4.019 -0.0415 -0.6845 -0.2565
+  714TIP3    H2 3591   4.034   0.195   3.899  0.5375  0.2793 -0.6502
+  715TIP3   OH2 3592   4.870   2.178   0.292  0.7912  0.7686 -0.1742
+  715TIP3    H1 3593   4.903   2.088   0.286  0.4247  0.4399  2.2804
+  715TIP3    H2 3594   4.775   2.168   0.298  0.6872  1.3736 -0.8087
+  716TIP3   OH2 3595   4.759   6.572   0.778  0.1786 -0.0370 -0.6053
+  716TIP3    H1 3596   4.679   6.619   0.754 -0.0909 -1.2483 -2.2473
+  716TIP3    H2 3597   4.821   6.641   0.803 -1.2126  0.9482  0.1720
+  717TIP3   OH2 3598   5.313   2.333   1.694  0.4726  0.7037  0.2479
+  717TIP3    H1 3599   5.310   2.276   1.772  0.3474  0.7390  0.2693
+  717TIP3    H2 3600   5.379   2.293   1.638 -0.9251 -0.5334 -0.5606
+  718TIP3   OH2 3601   4.434   0.327   1.099  0.0136  0.1897  0.0177
+  718TIP3    H1 3602   4.346   0.326   1.061  0.3017 -1.5612 -0.6130
+  718TIP3    H2 3603   4.443   0.417   1.133 -1.5355  0.7611 -0.9881
+  719TIP3   OH2 3604   4.966   6.443   2.595  0.1607  0.1283 -0.1729
+  719TIP3    H1 3605   5.000   6.517   2.645  0.0263  0.3618 -0.4294
+  719TIP3    H2 3606   4.951   6.375   2.661  1.3627 -0.0726 -0.0817
+  720TIP3   OH2 3607   5.559   4.631   6.073 -0.2329  0.4753 -0.1975
+  720TIP3    H1 3608   5.563   4.535   6.080  0.1953  0.3631 -1.8776
+  720TIP3    H2 3609   5.633   4.662   6.125 -0.8561 -0.0653  1.0347
+  721TIP3   OH2 3610   3.624   1.202   6.122  0.1172 -0.1439 -0.1643
+  721TIP3    H1 3611   3.584   1.132   6.173  1.5942 -0.4088  0.6637
+  721TIP3    H2 3612   3.657   1.159   6.043 -1.9304  0.2188 -1.2406
+  722TIP3   OH2 3613   4.734   6.681   3.225  0.0162 -0.1991 -0.5053
+  722TIP3    H1 3614   4.796   6.703   3.294  0.3171 -2.0574 -0.1349
+  722TIP3    H2 3615   4.751   6.744   3.156 -0.0258  1.4517  0.9627
+  723TIP3   OH2 3616   4.259   5.800   0.298 -0.0362  0.1903  0.0477
+  723TIP3    H1 3617   4.346   5.761   0.289 -1.1863 -2.4846 -0.1303
+  723TIP3    H2 3618   4.257   5.832   0.388  1.1621  0.3203  0.0389
+  724TIP3   OH2 3619   3.574   6.593   1.502 -0.1543 -0.6293 -0.2374
+  724TIP3    H1 3620   3.631   6.591   1.426  0.6145 -0.2868  0.3277
+  724TIP3    H2 3621   3.534   6.506   1.504 -0.9425 -0.3080 -1.6005
+  725TIP3   OH2 3622   4.442   0.825   6.769  0.2914 -0.0363 -0.2785
+  725TIP3    H1 3623   4.538   0.826   6.772  0.2593 -0.2095  1.5840
+  725TIP3    H2 3624   4.420   0.733   6.753  0.4200 -0.2212  0.5921
+  726TIP3   OH2 3625   6.565   5.879   6.834 -0.2493 -0.2370  0.1717
+  726TIP3    H1 3626   6.472   5.886   6.858  0.0973  1.1079  1.1886
+  726TIP3    H2 3627   6.599   5.968   6.844  1.3317 -0.8655  0.5212
+  727TIP3   OH2 3628   5.997   1.271   6.648  0.3269 -0.0690  0.2019
+  727TIP3    H1 3629   6.017   1.241   6.737  0.1150  0.2692  0.3602
+  727TIP3    H2 3630   6.074   1.323   6.622 -0.3728  1.2889  0.8374
+  728TIP3   OH2 3631   5.669   2.718   6.812 -0.1094 -0.7539 -0.3796
+  728TIP3    H1 3632   5.704   2.696   6.726 -1.8486  0.4597 -1.4334
+  728TIP3    H2 3633   5.574   2.721   6.799 -0.2806  1.3184  1.1249
+  729TIP3   OH2 3634   4.274   2.267   5.871 -0.1441  0.3802 -0.4648
+  729TIP3    H1 3635   4.346   2.281   5.810 -1.0395  1.6917 -1.2446
+  729TIP3    H2 3636   4.314   2.269   5.958  1.1304 -1.4497 -0.9785
+  730TIP3   OH2 3637   5.075   0.213   2.391  0.5966  0.2341 -0.6936
+  730TIP3    H1 3638   5.106   0.143   2.334  0.4319  0.0881 -0.6040
+  730TIP3    H2 3639   5.035   0.276   2.332  0.1652 -0.0544 -0.7127
+  731TIP3   OH2 3640   1.547   0.600   2.478 -0.1528 -0.1179 -0.0834
+  731TIP3    H1 3641   1.454   0.581   2.491 -0.2344  0.2096 -0.1927
+  731TIP3    H2 3642   1.592   0.540   2.538 -0.5302  1.8290  2.2037
+  732TIP3   OH2 3643   4.274   1.837   0.759 -0.2127  0.3682  0.2967
+  732TIP3    H1 3644   4.342   1.856   0.694  1.5772 -0.6481  1.8022
+  732TIP3    H2 3645   4.243   1.924   0.786  1.1901  0.8995  0.2808
+  733TIP3   OH2 3646   3.445   2.137   1.873 -0.5334  0.5997  0.5713
+  733TIP3    H1 3647   3.510   2.079   1.834 -2.3414 -1.4692  0.5694
+  733TIP3    H2 3648   3.415   2.192   1.801 -0.8669 -0.3940 -0.0431
+  734TIP3   OH2 3649   3.833   6.383   6.037 -0.0139  0.1176 -0.0857
+  734TIP3    H1 3650   3.793   6.362   5.953  0.0578 -1.2080  0.2086
+  734TIP3    H2 3651   3.805   6.473   6.055 -1.0294 -0.0226 -0.9411
+  735TIP3   OH2 3652   4.436   0.707   5.762  0.6249 -0.2490 -0.3129
+  735TIP3    H1 3653   4.498   0.770   5.798 -1.9220  0.3948  3.2023
+  735TIP3    H2 3654   4.486   0.626   5.755  1.8957  0.2089  2.5391
+  736TIP3   OH2 3655   5.221   1.669   3.638 -0.0467  0.0627 -0.3044
+  736TIP3    H1 3656   5.248   1.728   3.708  0.3699  1.1505 -1.3444
+  736TIP3    H2 3657   5.190   1.591   3.682  0.2668  0.7072  1.0829
+  737TIP3   OH2 3658   3.753   6.846   4.753 -0.0100  0.3325 -0.8434
+  737TIP3    H1 3659   3.839   6.812   4.777 -0.1150  0.4610 -0.2785
+  737TIP3    H2 3660   3.757   6.938   4.775 -0.5908  0.1568  0.0022
+  738TIP3   OH2 3661   4.255   6.888   3.149  0.0742  0.4642 -0.5165
+  738TIP3    H1 3662   4.335   6.863   3.194  0.1275  0.3498 -0.6719
+  738TIP3    H2 3663   4.267   6.857   3.059 -0.9078 -1.2394 -0.0971
+  739TIP3   OH2 3664   3.598   1.796   5.870 -0.3696  0.0439 -0.9733
+  739TIP3    H1 3665   3.513   1.769   5.833 -0.5533 -1.0977  0.2403
+  739TIP3    H2 3666   3.661   1.736   5.830 -0.2714  0.2455 -1.1195
+  740TIP3   OH2 3667   5.295   4.715   5.269  0.0381 -0.2515 -0.8410
+  740TIP3    H1 3668   5.363   4.741   5.206  0.6496 -0.1632 -0.1512
+  740TIP3    H2 3669   5.262   4.797   5.304 -0.6671 -0.2828 -1.4194
+  741TIP3   OH2 3670   2.779   4.867   0.491 -0.0085 -0.0067  0.3298
+  741TIP3    H1 3671   2.770   4.950   0.443  2.1010  0.7437  1.1755
+  741TIP3    H2 3672   2.873   4.853   0.497 -0.3100 -1.4220  2.0011
+  742TIP3   OH2 3673   1.031   6.311   6.491 -0.0496 -0.1284 -0.4067
+  742TIP3    H1 3674   0.983   6.390   6.517 -0.3657 -0.6390  0.5887
+  742TIP3    H2 3675   1.063   6.275   6.574 -0.1191 -1.1813 -0.8386
+  743TIP3   OH2 3676   4.554   0.186   5.680  0.6615 -0.3088  0.0340
+  743TIP3    H1 3677   4.491   0.246   5.639 -0.0427 -0.3117  1.0840
+  743TIP3    H2 3678   4.630   0.188   5.623 -0.3658 -0.4515 -1.3710
+  744TIP3   OH2 3679   5.751   1.722   0.008  0.3972  0.3280 -0.3664
+  744TIP3    H1 3680   5.773   1.792  -0.053 -0.0331 -0.1533 -1.0801
+  744TIP3    H2 3681   5.789   1.750   0.091  0.7312  1.1284 -0.7826
+  745TIP3   OH2 3682   6.086   6.666   0.592 -0.1046  0.2490 -0.0555
+  745TIP3    H1 3683   6.070   6.577   0.561 -0.5613  0.2961  0.0418
+  745TIP3    H2 3684   6.100   6.657   0.686  2.0182  0.0119 -0.3620
+  746TIP3   OH2 3685   6.648   1.945   4.609  0.3661 -0.6490  0.0072
+  746TIP3    H1 3686   6.658   1.876   4.675  1.2402 -0.7479 -0.2164
+  746TIP3    H2 3687   6.576   1.915   4.554 -0.1750 -0.7066  0.7480
+  747TIP3   OH2 3688   4.462   2.755   0.881 -0.3179 -0.0173  0.0062
+  747TIP3    H1 3689   4.424   2.830   0.837 -0.7926 -1.0322 -1.3361
+  747TIP3    H2 3690   4.454   2.775   0.974  0.7403  2.1630 -0.3589
+  748TIP3   OH2 3691   4.575   0.785   1.856 -0.2318 -0.0084  0.4009
+  748TIP3    H1 3692   4.642   0.742   1.910  0.6451  1.6500  0.6787
+  748TIP3    H2 3693   4.621   0.811   1.776 -1.3348 -1.7194 -0.8260
+  749TIP3   OH2 3694   5.184   5.677   0.350 -0.0649  0.3201 -0.1565
+  749TIP3    H1 3695   5.196   5.735   0.275  1.3606 -0.1781 -0.3203
+  749TIP3    H2 3696   5.126   5.607   0.317 -0.0885  0.5270 -0.5576
+  750TIP3   OH2 3697   4.235   4.719   0.061  0.5262 -0.0988 -0.2961
+  750TIP3    H1 3698   4.153   4.678   0.086 -1.1488  0.9017 -3.7323
+  750TIP3    H2 3699   4.226   4.811   0.088  1.0688 -0.2729  0.4917
+  751TIP3   OH2 3700   5.131   6.334   5.810  0.1305 -0.4053 -0.0697
+  751TIP3    H1 3701   5.169   6.362   5.893  0.8202 -0.5159 -0.3391
+  751TIP3    H2 3702   5.038   6.320   5.829 -0.0066  0.9775  0.3337
+  752TIP3   OH2 3703   6.753   0.124   5.617 -0.2761  0.5274  0.0938
+  752TIP3    H1 3704   6.744   0.118   5.521 -1.1485  0.0280  0.2030
+  752TIP3    H2 3705   6.836   0.169   5.630  1.2428 -1.8502 -0.8990
+  753TIP3   OH2 3706   2.905   3.824   0.083 -0.3379  0.5667 -0.6177
+  753TIP3    H1 3707   2.835   3.826   0.149 -0.6441 -1.7117 -0.8342
+  753TIP3    H2 3708   2.860   3.836  -0.000 -0.0720  2.3875 -0.5121
+  754TIP3   OH2 3709   4.454   0.186   1.534  0.2575 -0.6099 -0.2188
+  754TIP3    H1 3710   4.380   0.225   1.581 -0.6627 -2.8407  0.2708
+  754TIP3    H2 3711   4.414   0.148   1.456  1.1454 -0.5202 -0.7173
+  755TIP3   OH2 3712   4.932   0.323   2.654 -0.2668 -0.3393  0.3059
+  755TIP3    H1 3713   5.017   0.345   2.617 -0.6620 -1.5328 -1.3371
+  755TIP3    H2 3714   4.876   0.398   2.633  0.3715  0.4731  1.4386
+  756TIP3   OH2 3715   5.538   0.461   1.507  0.2205 -0.2683 -0.3902
+  756TIP3    H1 3716   5.563   0.524   1.439 -1.0463  0.0517 -0.5770
+  756TIP3    H2 3717   5.471   0.507   1.558  0.4374 -0.8862  0.4514
+  757TIP3   OH2 3718   5.473   6.430   3.261  0.0894 -0.3181 -0.3053
+  757TIP3    H1 3719   5.414   6.355   3.256  0.3567 -0.5115 -0.5864
+  757TIP3    H2 3720   5.526   6.424   3.181 -0.4395  0.6401 -0.7278
+  758TIP3   OH2 3721   3.743   4.980   1.884 -0.5923  0.1247 -0.2031
+  758TIP3    H1 3722   3.828   4.937   1.871  0.0649  1.0711  0.9016
+  758TIP3    H2 3723   3.718   4.958   1.973 -1.0410  0.6570 -0.1924
+  759TIP3   OH2 3724   4.218   5.906   0.960  0.2998 -0.5711 -0.0531
+  759TIP3    H1 3725   4.216   5.874   1.050  1.6824 -0.4279  0.0272
+  759TIP3    H2 3726   4.246   5.997   0.967 -1.9273  0.1877 -0.4363
+  760TIP3   OH2 3727   4.316   2.202   6.139 -0.1762 -0.4793  0.0008
+  760TIP3    H1 3728   4.351   2.114   6.132  0.4789 -0.1634 -0.7096
+  760TIP3    H2 3729   4.319   2.222   6.232  0.9256 -0.6924  0.0092
+  761TIP3   OH2 3730   5.522   1.557   6.881  0.4305 -0.4178 -0.4010
+  761TIP3    H1 3731   5.529   1.542   6.787  2.2604 -1.0828 -0.1714
+  761TIP3    H2 3732   5.592   1.619   6.900 -0.4892  0.3949  0.3929
+  762TIP3   OH2 3733   0.917   3.198   6.419  0.0233  0.0865  0.0688
+  762TIP3    H1 3734   0.907   3.163   6.508 -0.2148  1.1803  0.4888
+  762TIP3    H2 3735   0.846   3.159   6.369 -0.5486  0.3605  0.6535
+  763TIP3   OH2 3736   4.532   1.448   1.947  0.1988 -0.9819 -0.0215
+  763TIP3    H1 3737   4.583   1.508   2.000  0.7607 -1.2219 -0.2927
+  763TIP3    H2 3738   4.441   1.472   1.965  0.4335  1.1381 -1.5231
+  764TIP3   OH2 3739   6.133   1.271   1.186 -0.1010 -0.1620 -0.6339
+  764TIP3    H1 3740   6.178   1.293   1.268 -0.4261 -0.3758 -0.3978
+  764TIP3    H2 3741   6.180   1.194   1.152 -0.3546 -0.4530 -0.3302
+  765TIP3   OH2 3742   5.068   0.467   0.449 -0.1343  0.4136 -0.1922
+  765TIP3    H1 3743   5.118   0.385   0.444  0.4270  0.6051  1.7919
+  765TIP3    H2 3744   5.092   0.505   0.534  0.2174  3.0214 -1.3894
+  766TIP3   OH2 3745   5.120   1.322   1.828  0.2056 -0.1153  0.8839
+  766TIP3    H1 3746   5.051   1.364   1.880 -1.3753 -0.1835 -1.0990
+  766TIP3    H2 3747   5.078   1.244   1.792  0.9822  0.4412 -1.2645
+  767TIP3   OH2 3748   4.940   1.267   0.106  0.6399 -0.3185  0.1731
+  767TIP3    H1 3749   4.897   1.314   0.178  2.2899  0.5386  0.6349
+  767TIP3    H2 3750   4.880   1.197   0.083  0.0619 -0.5749  2.3764
+  768TIP3   OH2 3751   4.310   3.409   0.288 -0.0614 -0.5055  0.0539
+  768TIP3    H1 3752   4.351   3.331   0.251 -0.3106 -0.9997  0.8123
+  768TIP3    H2 3753   4.218   3.384   0.300 -0.2661  0.0966 -0.2329
+  769TIP3   OH2 3754   5.318   1.130   0.363 -0.0423 -0.1621  0.2645
+  769TIP3    H1 3755   5.407   1.095   0.376 -0.3002 -0.1157  2.3413
+  769TIP3    H2 3756   5.309   1.138   0.268  2.0083 -0.6128  0.0059
+  770TIP3   OH2 3757   6.315   0.855   0.171  0.2966 -0.1987  0.2612
+  770TIP3    H1 3758   6.345   0.859   0.261 -0.6302 -2.6211  0.7317
+  770TIP3    H2 3759   6.221   0.873   0.176  0.2470 -0.3230 -0.2000
+  771TIP3   OH2 3760   0.464   5.479   0.409  0.2218 -0.4440 -0.4328
+  771TIP3    H1 3761   0.537   5.469   0.347 -1.0375 -0.3098 -1.9749
+  771TIP3    H2 3762   0.484   5.418   0.480  1.8406 -0.3928 -0.8292
+  772TIP3   OH2 3763   0.181   1.614   5.613 -0.0445 -0.3785  0.3491
+  772TIP3    H1 3764   0.121   1.563   5.559 -0.9253  0.1286  0.8290
+  772TIP3    H2 3765   0.165   1.705   5.587  1.7313 -0.3400 -0.7217
+  773TIP3   OH2 3766   0.477   1.486   1.067  0.3225 -0.4892 -0.1522
+  773TIP3    H1 3767   0.428   1.415   1.109  1.5376 -1.6280 -0.6234
+  773TIP3    H2 3768   0.410   1.537   1.021 -0.7224 -0.5835  1.2333
+  774TIP3   OH2 3769   3.218   1.616   1.473 -0.0085 -0.2143  0.1228
+  774TIP3    H1 3770   3.270   1.552   1.425 -0.6018 -1.0634  0.6080
+  774TIP3    H2 3771   3.235   1.699   1.428  1.4785 -0.5440  0.0602
+  775TIP3   OH2 3772   4.742   1.071   3.032  0.1134 -0.4672 -0.1927
+  775TIP3    H1 3773   4.715   1.155   2.993 -0.5033 -2.6858 -4.8130
+  775TIP3    H2 3774   4.671   1.049   3.092 -2.2584 -0.0764 -2.7613
+  776TIP3   OH2 3775   6.481   0.232   1.121  0.3884 -0.1788  0.3419
+  776TIP3    H1 3776   6.545   0.276   1.064  0.0011 -1.1481 -0.8639
+  776TIP3    H2 3777   6.429   0.178   1.062 -2.1631  1.2685  1.1872
+  777TIP3   OH2 3778   5.343   1.839   5.873 -0.3051  0.0883  0.0283
+  777TIP3    H1 3779   5.344   1.899   5.947  0.0746 -1.1659  1.0593
+  777TIP3    H2 3780   5.418   1.781   5.887 -1.3571 -1.3856 -0.2859
+  778TIP3   OH2 3781   0.628   6.561   1.231 -0.2181  0.0863 -0.1553
+  778TIP3    H1 3782   0.691   6.625   1.264  0.5277 -0.7680  0.0840
+  778TIP3    H2 3783   0.543   6.596   1.256  0.2173  0.6733  0.5190
+  779TIP3   OH2 3784   0.076   5.661   1.199  0.7433 -0.3996 -0.1416
+  779TIP3    H1 3785   0.058   5.574   1.234 -1.3173 -0.2284 -0.7047
+  779TIP3    H2 3786  -0.010   5.699   1.184  1.6148  1.2961 -1.0102
+  780TIP3   OH2 3787   6.348   0.090   0.687  0.2300 -0.0298  0.3271
+  780TIP3    H1 3788   6.278   0.068   0.626 -0.1542 -0.9908  1.1006
+  780TIP3    H2 3789   6.370   0.007   0.729  1.2855  0.4120  0.6671
+  781TIP3   OH2 3790   0.576   0.155   1.519  0.3005  0.0498  0.7821
+  781TIP3    H1 3791   0.548   0.237   1.559  1.0193  0.9985 -0.6280
+  781TIP3    H2 3792   0.499   0.098   1.524 -0.8358  1.4848 -0.0361
+  782TIP3   OH2 3793   4.776   4.702   0.250  0.0698 -0.0997 -0.2447
+  782TIP3    H1 3794   4.725   4.775   0.286  1.7374  1.5012 -1.0283
+  782TIP3    H2 3795   4.789   4.726   0.158  0.9940 -1.1880 -0.4028
+  783TIP3   OH2 3796   4.128   6.421   6.792 -0.7398 -0.2735 -0.0081
+  783TIP3    H1 3797   4.173   6.460   6.717  0.5228 -1.0991  0.3076
+  783TIP3    H2 3798   4.154   6.476   6.866  0.9046 -1.5733  0.4085
+  784TIP3   OH2 3799   2.053   5.801   1.282 -0.4017  0.4884  0.0867
+  784TIP3    H1 3800   2.076   5.881   1.235  0.8988  1.3330  2.0987
+  784TIP3    H2 3801   2.128   5.742   1.269 -0.6897  0.1648 -0.1255
+  785TIP3   OH2 3802   6.594   0.100   0.055  0.4873 -0.2058  0.5763
+  785TIP3    H1 3803   6.578   0.193   0.066  0.1534 -0.0974 -0.7090
+  785TIP3    H2 3804   6.512   0.058   0.079 -0.9754  0.1703 -3.3989
+  786TIP3   OH2 3805   5.020   5.925   5.332  0.4720  0.4448  0.3881
+  786TIP3    H1 3806   5.106   5.914   5.292  0.1063  0.2232 -0.3361
+  786TIP3    H2 3807   5.008   5.846   5.385  0.6456  0.4030  0.3646
+  787TIP3   OH2 3808   4.345   1.027   6.599  0.0942  0.4848 -0.3438
+  787TIP3    H1 3809   4.417   1.051   6.541  2.0164 -1.3248  1.2582
+  787TIP3    H2 3810   4.383   0.966   6.662 -2.1991  1.5336  2.1670
+  788TIP3   OH2 3811   4.781   1.333   6.125 -0.2456 -0.2164  0.0995
+  788TIP3    H1 3812   4.803   1.426   6.115  0.0707 -0.1713  1.1787
+  788TIP3    H2 3813   4.807   1.293   6.041  0.0355  0.5806 -0.2010
+  789TIP3   OH2 3814   4.482   6.458   3.145 -0.0122  0.0190  0.6368
+  789TIP3    H1 3815   4.547   6.525   3.166 -0.1957  0.4939 -0.3132
+  789TIP3    H2 3816   4.400   6.506   3.136  0.1213 -0.1303 -1.5087
+  790TIP3   OH2 3817   2.617   2.181   1.535 -0.0663  0.6237  0.3433
+  790TIP3    H1 3818   2.532   2.189   1.579  0.4034  2.7963  0.9379
+  790TIP3    H2 3819   2.669   2.125   1.593 -0.8570 -0.1006  0.3562
+  791TIP3   OH2 3820   5.527   0.078   3.733 -0.4554 -0.2699 -0.0345
+  791TIP3    H1 3821   5.578   0.156   3.710  0.1898 -0.5299  0.5094
+  791TIP3    H2 3822   5.589   0.022   3.780 -2.2064  1.0194  3.9708
+  792TIP3   OH2 3823   5.553   3.473   0.403 -0.4496 -0.1095 -0.2390
+  792TIP3    H1 3824   5.552   3.506   0.493 -1.0211  2.7418 -1.2476
+  792TIP3    H2 3825   5.622   3.407   0.403  1.6546  1.9699  1.6166
+  793TIP3   OH2 3826   6.249   3.716   1.987  0.5179  0.3107  0.6145
+  793TIP3    H1 3827   6.195   3.738   1.911  0.3506  1.3242  1.0216
+  793TIP3    H2 3828   6.224   3.626   2.008  1.5920 -0.4816 -1.3809
+  794TIP3   OH2 3829   0.579   5.946   0.395  0.3423  0.4733 -0.1494
+  794TIP3    H1 3830   0.587   6.012   0.326  0.7199  1.3261  0.7086
+  794TIP3    H2 3831   0.528   5.875   0.354  1.3695  0.5486 -1.6002
+  795TIP3   OH2 3832   5.479   2.222   0.730 -0.1445 -0.0986 -0.2601
+  795TIP3    H1 3833   5.427   2.272   0.794 -0.8254  0.5088 -1.2726
+  795TIP3    H2 3834   5.424   2.146   0.708  0.5153 -0.8430  0.6160
+  796TIP3   OH2 3835   5.631   1.265   1.969 -0.0384  0.3540 -0.3736
+  796TIP3    H1 3836   5.634   1.172   1.990  0.6466  0.3304 -0.5545
+  796TIP3    H2 3837   5.710   1.280   1.917  0.0343  1.1067 -0.0528
+  797TIP3   OH2 3838   6.200   0.623   0.970 -0.0184 -0.0824  0.5049
+  797TIP3    H1 3839   6.137   0.693   0.954  1.4163  0.9162 -0.8552
+  797TIP3    H2 3840   6.230   0.637   1.060  0.2792  1.0708  0.2277
+  798TIP3   OH2 3841   5.477   1.446   2.733 -0.0174  0.1120 -0.0130
+  798TIP3    H1 3842   5.388   1.481   2.736 -1.1254 -2.5413 -0.2778
+  798TIP3    H2 3843   5.474   1.369   2.791  2.1061  0.0053 -0.0083
+  799TIP3   OH2 3844   4.688   1.127   1.165  0.2954 -0.1974 -0.7072
+  799TIP3    H1 3845   4.694   1.061   1.095  0.9721  0.2209 -1.0500
+  799TIP3    H2 3846   4.611   1.179   1.142  0.6207  0.0515 -1.2502
+  800TIP3   OH2 3847   5.487   1.641   0.299  0.1777 -0.5219  0.2769
+  800TIP3    H1 3848   5.505   1.557   0.341  1.3100 -0.3730  0.1154
+  800TIP3    H2 3849   5.502   1.625   0.206 -0.7758 -0.4445  0.1047
+  801TIP3   OH2 3850   4.907   1.883   1.384  0.0966 -0.2868 -0.1970
+  801TIP3    H1 3851   4.846   1.884   1.310 -0.4727  1.4939  0.2676
+  801TIP3    H2 3852   4.949   1.969   1.382  2.4003 -1.3572 -0.3140
+  802TIP3   OH2 3853   4.468   3.584   5.796  0.1078  0.0401  0.2342
+  802TIP3    H1 3854   4.458   3.656   5.859 -2.2289 -0.1304  0.1315
+  802TIP3    H2 3855   4.496   3.510   5.848  1.9146  0.8560  0.4466
+  803TIP3   OH2 3856   1.640   5.386   0.031  0.0433 -0.1203  0.0808
+  803TIP3    H1 3857   1.574   5.408  -0.033  0.7196  1.9197  0.0708
+  803TIP3    H2 3858   1.596   5.325   0.091 -0.8858 -1.2134 -1.6763
+  804TIP3   OH2 3859   0.039   1.201   0.555  0.0592 -0.3088  0.4943
+  804TIP3    H1 3860   0.085   1.136   0.502  0.4633  1.5393 -1.4815
+  804TIP3    H2 3861  -0.002   1.150   0.625  2.9949 -2.2864  0.8432
+  805TIP3   OH2 3862   5.198   4.552   1.624 -0.3014 -0.3210  0.5297
+  805TIP3    H1 3863   5.293   4.560   1.632 -0.2188 -0.7947  0.0837
+  805TIP3    H2 3864   5.185   4.509   1.539 -0.9967  1.7954 -0.4488
+  806TIP3   OH2 3865   3.885   1.467   2.012 -0.2915  0.4884 -0.3478
+  806TIP3    H1 3866   3.972   1.495   1.985 -0.0915  1.2874  1.0779
+  806TIP3    H2 3867   3.848   1.543   2.057 -1.1364 -0.3388  0.3972
+  807TIP3   OH2 3868   2.638   1.494   2.681 -0.4369  0.1884  0.3421
+  807TIP3    H1 3869   2.617   1.401   2.672 -0.3555  0.1394  0.6420
+  807TIP3    H2 3870   2.627   1.530   2.594  2.4990 -0.7293 -0.4891
+  808TIP3   OH2 3871   6.052   6.451   6.222  0.4470 -0.3424 -0.2177
+  808TIP3    H1 3872   6.121   6.461   6.156 -2.2868  2.3977 -2.8111
+  808TIP3    H2 3873   5.980   6.409   6.176 -0.4095 -1.1958  1.8715
+  809TIP3   OH2 3874   5.342   4.840   0.119  0.3145  0.0437 -0.0278
+  809TIP3    H1 3875   5.306   4.788   0.047  1.2447 -0.1807 -0.3376
+  809TIP3    H2 3876   5.395   4.779   0.169  0.4442  0.4217  0.2979
+  810TIP3   OH2 3877   3.347   5.955   0.120 -0.2310  0.4461 -0.1395
+  810TIP3    H1 3878   3.263   5.956   0.073  0.4034 -0.1781 -1.2999
+  810TIP3    H2 3879   3.413   5.945   0.051  0.6826 -1.1783  0.9351
+  811TIP3   OH2 3880   3.391   0.192   0.497 -0.0224 -0.3123 -0.3013
+  811TIP3    H1 3881   3.418   0.159   0.411 -0.0543 -0.8814 -0.0990
+  811TIP3    H2 3882   3.460   0.161   0.556 -0.7395 -1.1715  0.1096
+  812TIP3   OH2 3883   4.610   4.943   5.567 -0.6356  0.1323  0.8942
+  812TIP3    H1 3884   4.681   4.889   5.533  1.1628  3.2538 -0.6301
+  812TIP3    H2 3885   4.541   4.936   5.501 -0.0001  0.4717  0.1834
+  813TIP3   OH2 3886   4.537   1.363   6.486 -0.2855 -0.2330 -0.4306
+  813TIP3    H1 3887   4.580   1.358   6.571 -0.7370 -2.0229 -0.2683
+  813TIP3    H2 3888   4.451   1.400   6.505 -0.2742 -0.3511 -0.1443
+  814TIP3   OH2 3889   5.498   1.505   6.619 -0.6644 -0.2569 -0.3183
+  814TIP3    H1 3890   5.507   1.410   6.615 -1.2111 -0.3618  0.7145
+  814TIP3    H2 3891   5.475   1.531   6.530  0.2554 -1.0055 -0.7770
+  815TIP3   OH2 3892   6.823   1.440   6.390  0.3308  0.3402  0.0197
+  815TIP3    H1 3893   6.797   1.435   6.297  1.1395 -0.4276 -0.1666
+  815TIP3    H2 3894   6.904   1.389   6.395  0.2820  0.3735  1.1585
+  816TIP3   OH2 3895   6.217   0.291   0.839  0.2623 -0.4234 -0.7226
+  816TIP3    H1 3896   6.250   0.207   0.808  0.8957 -0.5653  0.3385
+  816TIP3    H2 3897   6.295   0.345   0.851 -0.0812  0.0492 -0.6155
+  817TIP3   OH2 3898   3.684   4.989   0.905 -0.3258 -0.1298 -0.2961
+  817TIP3    H1 3899   3.768   5.034   0.899 -0.1773 -0.4034 -0.2694
+  817TIP3    H2 3900   3.686   4.943   0.989 -0.5240 -0.0933 -0.2692
+  818TIP3   OH2 3901   3.489   1.428   6.076  0.2458  0.1210  0.3442
+  818TIP3    H1 3902   3.566   1.370   6.077  0.5590  0.3749 -3.1922
+  818TIP3    H2 3903   3.479   1.453   5.984 -2.6643  2.0167  1.1148
+  819TIP3   OH2 3904   6.107   2.501   1.864  0.8988 -0.7752 -0.0075
+  819TIP3    H1 3905   6.032   2.555   1.841  0.4936 -0.8975  1.0122
+  819TIP3    H2 3906   6.183   2.557   1.847  0.4727  0.2261  1.3041
+  820TIP3   OH2 3907   6.133   0.999   2.209  0.1790  0.6523  0.0348
+  820TIP3    H1 3908   6.186   0.923   2.183 -0.3892  0.5323 -0.8059
+  820TIP3    H2 3909   6.186   1.044   2.275  0.9697  0.0830 -0.1999
+  821TIP3   OH2 3910   6.663   0.975   0.263  0.5788 -0.0380  0.2970
+  821TIP3    H1 3911   6.663   0.996   0.356  0.2034 -0.2119  0.3354
+  821TIP3    H2 3912   6.593   1.029   0.226 -1.0377 -1.9114  0.5507
+  822TIP3   OH2 3913   6.336   1.401   0.391  0.3369 -0.1951 -0.0230
+  822TIP3    H1 3914   6.249   1.439   0.383  0.3544 -0.0517  0.4499
+  822TIP3    H2 3915   6.320   1.308   0.406  0.2761 -0.2235 -0.2557
+  823TIP3   OH2 3916   1.338   2.736   1.537  0.1745 -0.3704 -0.2541
+  823TIP3    H1 3917   1.290   2.784   1.470 -0.9265 -0.4890  0.4363
+  823TIP3    H2 3918   1.322   2.786   1.618  1.5488 -0.1781 -0.0828
+  824TIP3   OH2 3919   0.039   1.833   2.059 -0.3965  0.4042  0.6021
+  824TIP3    H1 3920   0.133   1.832   2.043 -0.2747  0.5962  1.2847
+  824TIP3    H2 3921   0.003   1.889   1.991  0.0382  0.7350  0.6471
+  825TIP3   OH2 3922   6.300   1.216   5.644 -0.2301  0.3732 -0.5508
+  825TIP3    H1 3923   6.314   1.241   5.735  0.3460 -2.1135  0.0934
+  825TIP3    H2 3924   6.216   1.254   5.621  0.8678  3.3203  0.1353
+  826TIP3   OH2 3925   1.380   0.373   0.499  0.5020  0.3271 -0.3486
+  826TIP3    H1 3926   1.413   0.292   0.460 -1.7738 -0.5853 -0.4714
+  826TIP3    H2 3927   1.298   0.348   0.540 -0.0609  2.5108 -0.0715
+  827TIP3   OH2 3928   1.770   1.604   0.313 -0.7656  0.6629  0.1979
+  827TIP3    H1 3929   1.779   1.609   0.408 -0.0492  0.8017  0.1201
+  827TIP3    H2 3930   1.682   1.638   0.296 -1.0753  0.2093  0.8463
+  828TIP3   OH2 3931   6.188   1.170   6.873 -0.0070 -0.1522 -0.1565
+  828TIP3    H1 3932   6.125   1.226   6.918  0.1931 -0.9904  1.1930
+  828TIP3    H2 3933   6.156   1.081   6.887  1.9513 -0.6672  1.3737
+  829TIP3   OH2 3934   0.195   6.560   1.892 -0.2493 -0.0722  0.0044
+  829TIP3    H1 3935   0.180   6.465   1.897  0.0930 -0.1268  0.0245
+  829TIP3    H2 3936   0.246   6.580   1.970  0.3670 -0.0031 -0.4169
+  830TIP3   OH2 3937   4.529   1.693   2.517 -0.1533 -0.3561  0.8299
+  830TIP3    H1 3938   4.618   1.666   2.540 -0.3469 -1.4413  0.3043
+  830TIP3    H2 3939   4.472   1.642   2.574 -0.4456  0.3780  1.2067
+  831TIP3   OH2 3940   6.713   0.544   1.829 -0.4759 -0.1468 -0.3507
+  831TIP3    H1 3941   6.724   0.596   1.749 -1.8054  0.2083 -0.3065
+  831TIP3    H2 3942   6.744   0.457   1.805 -0.9665 -0.0689 -1.2807
+  832TIP3   OH2 3943   0.470   0.658   1.169 -0.3925  0.6470 -0.1042
+  832TIP3    H1 3944   0.520   0.658   1.251 -0.2712  3.4519 -0.1498
+  832TIP3    H2 3945   0.508   0.586   1.119  1.7557  0.9845  0.9773
+  833TIP3   OH2 3946   0.574   2.065   1.092  0.2282  0.2214 -0.2445
+  833TIP3    H1 3947   0.632   2.138   1.069  2.1648 -2.1005 -3.0250
+  833TIP3    H2 3948   0.486   2.096   1.069  0.8791  2.1186 -0.2673
+  834TIP3   OH2 3949   1.561   6.737   2.336  0.1864 -0.1644  0.1147
+  834TIP3    H1 3950   1.529   6.647   2.327 -1.0096 -0.0714  2.7997
+  834TIP3    H2 3951   1.599   6.758   2.251 -0.0030 -3.0200 -0.7264
+  835TIP3   OH2 3952   6.250   1.132   0.408  0.0310 -0.3850 -0.0823
+  835TIP3    H1 3953   6.200   1.094   0.336 -0.3486 -1.5108  0.7573
+  835TIP3    H2 3954   6.245   1.066   0.478  1.3017  0.2091  0.5866
+  836TIP3   OH2 3955   0.187   1.107   5.684 -0.1827  0.2546 -0.0909
+  836TIP3    H1 3956   0.105   1.135   5.645  0.1397 -0.6206 -1.4353
+  836TIP3    H2 3957   0.242   1.082   5.610  0.9137 -0.1869  0.8499
+  837TIP3   OH2 3958   5.882   0.493   6.526  0.0495  0.1776  0.0425
+  837TIP3    H1 3959   5.802   0.442   6.542  0.7584 -1.2057 -0.8017
+  837TIP3    H2 3960   5.887   0.553   6.601 -0.6541 -1.1733  1.1912
+  838TIP3   OH2 3961   1.179   0.937   0.059 -0.0364 -0.0613 -0.3120
+  838TIP3    H1 3962   1.272   0.960   0.057 -0.1822  0.5312 -0.4242
+  838TIP3    H2 3963   1.137   1.012   0.101 -0.6688  0.3901 -1.7260
+  839TIP3   OH2 3964   1.004   0.842   1.599 -0.3748 -0.2584 -0.3827
+  839TIP3    H1 3965   1.046   0.831   1.684 -1.7428 -1.4111  0.1711
+  839TIP3    H2 3966   0.955   0.923   1.607 -1.7476 -1.1532  0.4813
+  840TIP3   OH2 3967   1.657   4.079   1.744 -0.5057 -0.4038  0.4120
+  840TIP3    H1 3968   1.596   4.038   1.806 -3.3935  1.4985 -1.0485
+  840TIP3    H2 3969   1.670   4.013   1.677 -1.1636 -0.7755  0.6396
+  841TIP3   OH2 3970   4.874   2.347   4.970 -0.0617 -0.0619  0.5272
+  841TIP3    H1 3971   4.887   2.254   4.992 -0.7242 -0.1560  0.5335
+  841TIP3    H2 3972   4.785   2.366   4.999  0.0769  0.5857  0.5388
+  842TIP3   OH2 3973   6.282   2.274   1.067 -0.0762  0.1165 -0.0931
+  842TIP3    H1 3974   6.364   2.314   1.096  0.3273 -0.1637 -0.8189
+  842TIP3    H2 3975   6.239   2.244   1.147  0.3271  0.6562  0.3241
+  843TIP3   OH2 3976   0.354   1.306   0.783  0.7162  0.3537 -0.0608
+  843TIP3    H1 3977   0.302   1.369   0.733  0.8582 -0.2168 -0.9362
+  843TIP3    H2 3978   0.438   1.351   0.797  0.6301  0.5668 -0.2220
+  844TIP3   OH2 3979   0.162   2.293   4.203 -0.3016 -0.0611 -0.0312
+  844TIP3    H1 3980   0.169   2.388   4.205  1.1404 -0.1246 -1.2990
+  844TIP3    H2 3981   0.152   2.268   4.295 -3.2751  1.4575  0.1101
+  845TIP3   OH2 3982   6.140   2.103   6.564  0.1593 -0.0804  0.2130
+  845TIP3    H1 3983   6.184   2.064   6.640 -0.4735  0.9787  1.1295
+  845TIP3    H2 3984   6.060   2.142   6.599 -0.5738 -0.3155 -1.1372
+  846TIP3   OH2 3985   5.167   0.687   2.492 -0.4627 -0.4323 -0.0635
+  846TIP3    H1 3986   5.217   0.644   2.561 -0.5460  1.8233  1.4455
+  846TIP3    H2 3987   5.081   0.704   2.532 -0.5823  0.7146 -0.7819
+  847TIP3   OH2 3988   1.194   0.936   2.213 -0.1586  0.4572 -0.2016
+  847TIP3    H1 3989   1.289   0.928   2.225 -0.2722  1.5526  1.7328
+  847TIP3    H2 3990   1.170   1.010   2.270 -2.2109 -0.0039 -0.4516
+  848TIP3   OH2 3991   6.781   6.849   2.020  0.4877 -0.3916 -0.6798
+  848TIP3    H1 3992   6.763   6.928   1.970  3.2169 -0.3696 -1.7192
+  848TIP3    H2 3993   6.857   6.871   2.074  0.7941 -2.0486 -0.4012
+  849TIP3   OH2 3994   6.784   0.091   0.718  0.4573 -0.0391 -0.0100
+  849TIP3    H1 3995   6.872   0.094   0.681  0.2371  0.5733 -0.5160
+  849TIP3    H2 3996   6.779   0.007   0.762  1.0441 -0.4044 -0.6244
+  850TIP3   OH2 3997   6.812   1.702   6.689  0.1641 -0.1556  1.0147
+  850TIP3    H1 3998   6.867   1.706   6.611  1.4355 -0.3642  1.8843
+  850TIP3    H2 3999   6.739   1.761   6.670  0.7136  0.1694 -0.1360
+  851TIP3   OH2 4000   6.906   3.375   3.049 -0.2159  0.2592 -0.1839
+  851TIP3    H1 4001   6.885   3.345   3.137 -1.1229 -0.6191 -0.6778
+  851TIP3    H2 4002   6.831   3.429   3.024 -0.9014 -1.1011 -1.1430
+  852TIP3   OH2 4003   0.322   3.201   1.320  0.2261  0.2550 -0.2578
+  852TIP3    H1 4004   0.324   3.144   1.397 -0.8374 -0.0367 -0.4485
+  852TIP3    H2 4005   0.390   3.166   1.263  0.6582  0.1485  0.3176
+  853TIP3   OH2 4006   6.562   1.085   2.169 -0.2430 -0.2675 -0.4683
+  853TIP3    H1 4007   6.564   1.180   2.176 -1.3351 -0.2047 -1.0401
+  853TIP3    H2 4008   6.629   1.064   2.104  0.3905  0.0651  0.0709
+  854TIP3   OH2 4009   6.491   6.128   1.463  0.3159 -0.0243  0.1921
+  854TIP3    H1 4010   6.561   6.167   1.411 -0.6348  2.2601  0.5610
+  854TIP3    H2 4011   6.513   6.150   1.553 -1.0751  1.0697  0.2799
+  855TIP3   OH2 4012   0.454   2.434   5.715 -0.4035 -0.1053  0.0275
+  855TIP3    H1 4013   0.405   2.468   5.789  0.5427  0.5218  0.3749
+  855TIP3    H2 4014   0.512   2.367   5.753 -0.6657 -0.5322 -0.3142
+  856TIP3   OH2 4015   6.225   0.139   3.585  0.2841  0.3024 -0.1058
+  856TIP3    H1 4016   6.130   0.126   3.589  0.3662  0.3587  2.4192
+  856TIP3    H2 4017   6.238   0.230   3.612  1.1087  0.1661 -0.0245
+  857TIP3   OH2 4018   1.946   0.049   1.842 -0.6009 -0.2251  0.4187
+  857TIP3    H1 4019   2.019   0.107   1.817 -0.2403 -0.4466  0.9376
+  857TIP3    H2 4020   1.900   0.098   1.910  0.6347 -1.1968  1.9924
+  858TIP3   OH2 4021   5.429   5.894  -0.007 -0.2103  0.8004 -0.2251
+  858TIP3    H1 4022   5.525   5.900  -0.006 -0.2100  0.9846 -1.2357
+  858TIP3    H2 4023   5.410   5.808   0.029  0.3456  0.6019 -0.3991
+  859TIP3   OH2 4024   1.180   1.493   6.182  0.4545  0.7534 -0.1020
+  859TIP3    H1 4025   1.135   1.455   6.258  3.4842  0.6305  1.7077
+  859TIP3    H2 4026   1.203   1.582   6.210 -0.6448  1.6090 -1.8475
+  860TIP3   OH2 4027   0.688   1.270   0.798  0.1508  0.3521 -0.1566
+  860TIP3    H1 4028   0.728   1.192   0.837  0.8891  1.0803  0.5331
+  860TIP3    H2 4029   0.705   1.260   0.704  0.1128 -0.3937 -0.0897
+  861TIP3   OH2 4030   6.515   0.314   1.898  0.1021 -0.3385 -0.0566
+  861TIP3    H1 4031   6.507   0.403   1.862 -1.7169 -0.8715 -1.0362
+  861TIP3    H2 4032   6.489   0.323   1.990  1.1931  0.3592  0.2017
+  862TIP3   OH2 4033   6.709   6.587   0.686 -0.0072 -0.2262  0.3266
+  862TIP3    H1 4034   6.759   6.643   0.745 -0.3056 -1.6858  2.0261
+  862TIP3    H2 4035   6.775   6.547   0.630  0.7751 -1.9104  2.3568
+  863TIP3   OH2 4036   3.968   0.721   2.157 -0.2593  0.0677  0.2420
+  863TIP3    H1 4037   3.990   0.793   2.099 -0.5074 -0.2485 -0.2475
+  863TIP3    H2 4038   3.875   0.703   2.140 -0.2431 -0.2563  0.4787
+  864TIP3   OH2 4039   6.026   5.860   6.681 -0.0706 -0.1970  0.7227
+  864TIP3    H1 4040   6.099   5.870   6.741  0.7135  3.0340 -0.6618
+  864TIP3    H2 4041   6.065   5.868   6.594 -1.9314  0.8803 -0.0524
+  865TIP3   OH2 4042   1.784   6.616   1.926 -0.0437 -0.3445  0.0668
+  865TIP3    H1 4043   1.816   6.607   1.836  0.0695  0.4943  0.0155
+  865TIP3    H2 4044   1.855   6.662   1.971 -1.2428  1.6805 -0.0833
+  866TIP3   OH2 4045   2.837   2.717   1.102  0.0797 -1.6053  0.2922
+  866TIP3    H1 4046   2.756   2.700   1.055 -0.9550  1.1491  0.9881
+  866TIP3    H2 4047   2.900   2.740   1.034 -0.6232 -0.5296 -0.0140
+  867TIP3   OH2 4048   0.428   0.705   1.679 -0.9205 -0.2061 -0.3808
+  867TIP3    H1 4049   0.495   0.656   1.728  0.2331  1.1954 -0.5314
+  867TIP3    H2 4050   0.417   0.785   1.729 -2.0510 -0.1553 -0.7096
+  868TIP3   OH2 4051   5.597   5.652   6.510 -0.1349  0.4178  0.0416
+  868TIP3    H1 4052   5.592   5.585   6.442  1.4046 -0.2273  0.5368
+  868TIP3    H2 4053   5.685   5.689   6.499  0.3599 -0.1163  2.0692
+  869TIP3   OH2 4054   6.787   3.167   6.421 -0.0738  0.0492 -0.0508
+  869TIP3    H1 4055   6.824   3.124   6.498  0.7658  1.9095  0.6059
+  869TIP3    H2 4056   6.861   3.211   6.380 -0.5888 -0.6303 -1.7439
+  870TIP3   OH2 4057   1.954   6.556   2.226 -0.1634 -0.6497 -0.0698
+  870TIP3    H1 4058   1.965   6.475   2.176  0.8497 -1.0193  0.7341
+  870TIP3    H2 4059   1.951   6.625   2.160  0.8397 -1.1634 -0.6563
+  871TIP3   OH2 4060   0.978   0.108   0.824  0.0748  0.2177 -0.1139
+  871TIP3    H1 4061   0.983   0.187   0.877  1.9706  2.1389 -2.9663
+  871TIP3    H2 4062   1.059   0.060   0.843 -0.0685  0.0300  0.0268
+  872TIP3   OH2 4063   0.893   0.218   1.196 -0.1976 -0.3369 -0.1086
+  872TIP3    H1 4064   0.886   0.128   1.229 -0.4040 -0.8727 -1.6027
+  872TIP3    H2 4065   0.809   0.257   1.218  0.2804 -0.1608  1.5130
+  873TIP3   OH2 4066   0.011   6.890   1.665  0.0262 -0.5582 -0.1768
+  873TIP3    H1 4067   0.088   6.895   1.721  0.8454  2.6796 -1.5131
+  873TIP3    H2 4068  -0.062   6.915   1.722  0.2721 -1.2439  0.4493
+  874TIP3   OH2 4069   6.478   6.055   0.814 -0.4633  0.0193 -0.1826
+  874TIP3    H1 4070   6.471   5.990   0.885  0.5745  1.1407  0.9730
+  874TIP3    H2 4071   6.553   6.026   0.763  1.2601  1.3962  1.5073
+  875TIP3   OH2 4072   0.101   2.094   1.819 -0.3560 -0.0560  0.2600
+  875TIP3    H1 4073   0.184   2.132   1.850 -0.5418  0.4419  0.1437
+  875TIP3    H2 4074   0.123   2.002   1.801  0.2700  0.1665 -0.1423
+  876TIP3   OH2 4075   0.146   1.247   2.540 -0.4345  0.6486 -0.3809
+  876TIP3    H1 4076   0.065   1.298   2.534 -1.7018 -1.3187 -0.4299
+  876TIP3    H2 4077   0.125   1.176   2.600  0.7926 -0.7256 -1.5463
+  877TIP3   OH2 4078   6.838   0.772   0.266  0.0827 -0.2329 -0.2226
+  877TIP3    H1 4079   6.844   0.743   0.357  0.7423  1.1545  0.1777
+  877TIP3    H2 4080   6.785   0.851   0.269  1.8885  1.0170 -0.7628
+  878TIP3   OH2 4081   5.800   0.128   0.245 -0.0672 -0.2596  0.6590
+  878TIP3    H1 4082   5.817   0.045   0.288 -1.0895 -1.0894 -0.4713
+  878TIP3    H2 4083   5.827   0.114   0.154 -1.3696  0.2260  0.1761
+  879TIP3   OH2 4084   5.774   4.305   2.150  0.2474 -0.2096  0.0018
+  879TIP3    H1 4085   5.845   4.364   2.124 -1.6111  0.9652 -2.6931
+  879TIP3    H2 4086   5.695   4.348   2.118 -1.5122 -2.3262  1.4164
+  880TIP3   OH2 4087   5.682   6.517   2.571  0.3577 -0.5566 -0.1277
+  880TIP3    H1 4088   5.750   6.542   2.634  0.0149  1.3208 -0.4600
+  880TIP3    H2 4089   5.713   6.552   2.488 -0.2657 -1.0828 -0.5801
+  881TIP3   OH2 4090   6.514   6.280   0.279  0.0301 -0.5006 -0.2577
+  881TIP3    H1 4091   6.523   6.293   0.373  0.5460  0.5037 -0.4436
+  881TIP3    H2 4092   6.516   6.185   0.267 -1.1914 -0.6714  0.8569
+  882TIP3   OH2 4093   5.564   2.440   1.538  0.0492  0.0351 -0.0614
+  882TIP3    H1 4094   5.538   2.532   1.525 -1.9570 -0.5344 -0.3398
+  882TIP3    H2 4095   5.598   2.437   1.627  1.6964  1.3836 -0.6328
+  883TIP3   OH2 4096   6.307   0.807   2.450 -0.0561 -0.1807 -0.5017
+  883TIP3    H1 4097   6.337   0.717   2.438 -0.5957 -0.3816 -0.3173
+  883TIP3    H2 4098   6.243   0.820   2.380  2.1129  0.9966 -2.3667
+  884TIP3   OH2 4099   0.245   2.194   0.508 -0.1609  0.0385  0.6340
+  884TIP3    H1 4100   0.225   2.115   0.459 -0.7646  0.2139  0.5828
+  884TIP3    H2 4101   0.162   2.243   0.509 -0.0047  0.2946  1.3420
+  885TIP3   OH2 4102   0.433   0.260   2.259  0.0649 -0.0624 -0.4205
+  885TIP3    H1 4103   0.527   0.275   2.260  0.2654 -1.2688  0.5252
+  885TIP3    H2 4104   0.410   0.250   2.167  0.5772  1.8601 -0.7746
+  886TIP3   OH2 4105   6.726   1.927   1.877  0.2631  0.7041 -0.1957
+  886TIP3    H1 4106   6.635   1.953   1.867 -0.0794 -0.0643  0.7527
+  886TIP3    H2 4107   6.775   2.009   1.878 -0.8989  1.4568  3.8911
+  887TIP3   OH2 4108   6.599   1.061   1.527  0.3673 -0.2507 -1.0955
+  887TIP3    H1 4109   6.663   1.004   1.483 -0.0019 -0.9705 -0.7048
+  887TIP3    H2 4110   6.517   1.044   1.482  0.3270  0.2165 -1.1926
+  888TIP3   OH2 4111   6.237   3.239   1.450  0.7901 -0.1838  0.0980
+  888TIP3    H1 4112   6.323   3.198   1.461  1.4647  1.5880  1.7289
+  888TIP3    H2 4113   6.255   3.333   1.448 -0.9711  0.1515 -1.1164
+  889TIP3   OH2 4114   0.327   0.588   0.583  0.7213 -0.3149 -0.4831
+  889TIP3    H1 4115   0.296   0.677   0.567  1.3565  0.0891  0.5038
+  889TIP3    H2 4116   0.310   0.573   0.676  1.9852 -0.6815 -0.3046
+  890TIP3   OH2 4117   1.422   5.913   0.966  0.2669  0.2952  0.6796
+  890TIP3    H1 4118   1.350   5.968   0.935  2.1745  0.5858 -3.6559
+  890TIP3    H2 4119   1.389   5.823   0.958 -0.1860  0.4941  0.3153
+  891TIP3   OH2 4120   0.971   4.818   0.520  0.0463  0.5352  0.2119
+  891TIP3    H1 4121   0.894   4.769   0.547  0.3459  0.0527  0.1953
+  891TIP3    H2 4122   0.936   4.901   0.487 -0.5112  0.0804 -0.3534
+  892TIP3   OH2 4123   5.628   2.153  -0.025  0.2653 -0.1867 -0.1669
+  892TIP3    H1 4124   5.619   2.241   0.011 -0.6920 -0.1197 -0.5563
+  892TIP3    H2 4125   5.702   2.115   0.022 -0.0539  0.4136  0.8286
+  893TIP3   OH2 4126   6.658   4.092   0.923  0.0560  0.2135 -0.7842
+  893TIP3    H1 4127   6.573   4.052   0.904 -0.1603  0.9714 -1.4349
+  893TIP3    H2 4128   6.717   4.053   0.858  0.3910 -0.9560  0.2187
+  894TIP3   OH2 4129   6.617   0.527   1.211  1.0090  0.2954  0.1482
+  894TIP3    H1 4130   6.545   0.476   1.247 -0.0239  1.4407 -0.2479
+  894TIP3    H2 4131   6.645   0.479   1.134  0.0634  0.2916 -0.2052
+  895TIP3   OH2 4132   0.953   6.048   6.678  0.1769  0.0322  0.0831
+  895TIP3    H1 4133   1.034   6.023   6.634  0.3702  1.5924 -0.4756
+  895TIP3    H2 4134   0.887   6.047   6.609  0.0900  0.5509  0.1530
+  896TIP3   OH2 4135   1.237   1.831   0.254 -0.2972 -0.3767 -0.0614
+  896TIP3    H1 4136   1.167   1.834   0.320  0.7806 -0.6986  1.0999
+  896TIP3    H2 4137   1.242   1.921   0.220 -0.6678 -0.1532  0.4761
+  897TIP3   OH2 4138   0.128   1.087   6.806  0.0193 -0.4500 -0.3625
+  897TIP3    H1 4139   0.040   1.120   6.826  0.0875  0.2218 -1.1470
+  897TIP3    H2 4140   0.132   1.001   6.849 -1.3819 -0.9460 -1.2067
+  898TIP3   OH2 4141   0.515   0.608   6.475  0.3949 -0.1281  0.3697
+  898TIP3    H1 4142   0.539   0.642   6.561 -1.1668 -0.6357  1.0243
+  898TIP3    H2 4143   0.426   0.575   6.487 -0.1094  0.4745 -1.6290
+  899TIP3   OH2 4144   5.897   6.555   6.448  0.1996 -0.0629  0.1447
+  899TIP3    H1 4145   5.942   6.619   6.503  0.1447 -0.9765  1.2871
+  899TIP3    H2 4146   5.945   6.555   6.366 -0.3390  2.0938 -0.2009
+  900TIP3   OH2 4147   5.858   0.504   2.452  0.2466 -0.4406 -0.4890
+  900TIP3    H1 4148   5.815   0.440   2.509 -0.7143  0.3921 -0.2615
+  900TIP3    H2 4149   5.793   0.523   2.385  0.6247  0.1090 -0.6954
+  901TIP3   OH2 4150   1.468   6.210   0.066  0.3643 -0.0830  0.3565
+  901TIP3    H1 4151   1.388   6.164   0.040 -0.5190  1.3498  0.4525
+  901TIP3    H2 4152   1.520   6.216  -0.013 -0.6933  1.0674 -0.2621
+  902TIP3   OH2 4153   1.658   1.731   3.116  0.5026  0.3000  0.3751
+  902TIP3    H1 4154   1.694   1.776   3.193 -0.2598 -0.7842  1.3955
+  902TIP3    H2 4155   1.735   1.702   3.067  0.9993  0.5874  0.9694
+  903TIP3   OH2 4156   1.495   1.087   1.393 -0.6086 -0.8162 -0.3385
+  903TIP3    H1 4157   1.514   1.100   1.486 -3.1492 -1.9981  0.3852
+  903TIP3    H2 4158   1.468   1.174   1.362 -0.9928 -0.6864  0.3454
+  904TIP3   OH2 4159   4.994   3.294   0.141 -0.1830  0.1404  0.0425
+  904TIP3    H1 4160   5.080   3.251   0.146 -0.9551 -1.3082  1.1910
+  904TIP3    H2 4161   4.983   3.335   0.226 -0.5153  0.5653 -0.2056
+  905TIP3   OH2 4162   4.499   5.737   1.271 -0.0143 -0.0610  0.5384
+  905TIP3    H1 4163   4.483   5.787   1.350 -0.0686  0.4972  0.1792
+  905TIP3    H2 4164   4.457   5.652   1.287 -0.2534  0.1427  0.9972
+  906TIP3   OH2 4165   1.003   5.947   0.086  0.8367  0.0948 -0.1237
+  906TIP3    H1 4166   1.058   5.927   0.162  1.2701 -0.1272 -0.4955
+  906TIP3    H2 4167   0.963   6.031   0.108  0.0330 -0.5356  0.8690
+  907TIP3   OH2 4168   0.262   0.867   1.026  0.2029  0.0961 -0.0630
+  907TIP3    H1 4169   0.290   0.959   1.032  0.2043 -0.0014  1.4965
+  907TIP3    H2 4170   0.335   0.818   1.064  0.7290 -0.6590 -1.9935
+  908TIP3   OH2 4171   5.774   1.461   6.515  0.3184 -0.9641 -0.1644
+  908TIP3    H1 4172   5.702   1.471   6.578 -0.3944  0.1727 -1.1381
+  908TIP3    H2 4173   5.837   1.405   6.560 -0.6038 -0.9420  1.2007
+  909TIP3   OH2 4174   5.860   4.899   1.105 -0.1325  0.5208  0.2723
+  909TIP3    H1 4175   5.845   4.911   1.011 -2.2604 -0.5489  0.4249
+  909TIP3    H2 4176   5.776   4.922   1.145 -0.0053 -1.3453  1.6910
+  910TIP3   OH2 4177   3.615   4.026   6.759 -0.3359 -0.0184  0.0009
+  910TIP3    H1 4178   3.531   4.000   6.796 -0.4451  0.1755 -0.1132
+  910TIP3    H2 4179   3.642   4.102   6.811  1.2155 -1.8965  2.0684
+  911TIP3   OH2 4180   1.145   0.941   0.680 -0.4369  0.0042  0.0814
+  911TIP3    H1 4181   1.225   0.895   0.656  1.9578  4.3913 -0.9257
+  911TIP3    H2 4182   1.107   0.968   0.596 -1.3790  0.4291  0.6404
+  912TIP3   OH2 4183   6.571   2.110   5.985 -0.6007 -0.6471 -0.6246
+  912TIP3    H1 4184   6.488   2.158   5.989  0.2266  0.6865  0.7019
+  912TIP3    H2 4185   6.545   2.019   5.966 -2.5747 -0.8887  2.9280
+  913TIP3   OH2 4186   0.459   6.730   2.776  0.4881  0.0318 -0.2963
+  913TIP3    H1 4187   0.530   6.795   2.778  0.6433 -0.1181 -0.8407
+  913TIP3    H2 4188   0.504   6.646   2.777  0.2940 -0.0663  0.1268
+  914TIP3   OH2 4189   5.988   0.378   3.701 -0.4540 -0.0164 -0.2862
+  914TIP3    H1 4190   5.995   0.428   3.620 -3.0012  1.5718  0.4069
+  914TIP3    H2 4191   5.902   0.401   3.736  0.0971 -1.6018  2.2608
+  915TIP3   OH2 4192   0.333   0.330   0.970 -0.1159  0.0318  0.0228
+  915TIP3    H1 4193   0.410   0.348   1.025 -0.6399 -1.3084  1.2371
+  915TIP3    H2 4194   0.368   0.293   0.890  0.5173 -0.5967  0.5843
+  916TIP3   OH2 4195   5.899   2.001   4.372  0.6308  0.3070 -0.0750
+  916TIP3    H1 4196   5.828   1.956   4.418 -0.2614 -0.8713 -2.4966
+  916TIP3    H2 4197   5.889   2.093   4.395 -1.2104  0.0420  0.2302
+  917TIP3   OH2 4198   5.658   0.862   4.048  0.0703 -0.2471 -0.0499
+  917TIP3    H1 4199   5.563   0.854   4.041 -0.0927  1.6220 -0.3157
+  917TIP3    H2 4200   5.690   0.834   3.962 -0.1977 -1.2967  0.1844
+  918TIP3   OH2 4201   1.226   6.796   0.404 -0.3526  0.0324  1.0410
+  918TIP3    H1 4202   1.141   6.813   0.444  0.4753  0.4297  2.7004
+  918TIP3    H2 4203   1.253   6.882   0.369 -0.5752 -0.0620  0.6396
+  919TIP3   OH2 4204   4.450   6.672   2.928 -0.2434  0.1370  0.1403
+  919TIP3    H1 4205   4.521   6.736   2.920  1.4071 -1.4089  1.9889
+  919TIP3    H2 4206   4.481   6.596   2.879 -1.5545  0.2010 -0.8112
+  920TIP3   OH2 4207   0.239   1.628   3.104 -0.4338  0.4309  0.0945
+  920TIP3    H1 4208   0.152   1.628   3.063 -1.3518 -0.1681  1.9696
+  920TIP3    H2 4209   0.227   1.680   3.184  0.9565  0.4099  0.3163
+  921TIP3   OH2 4210   5.881   6.848   1.366 -0.1161  0.6842  0.3279
+  921TIP3    H1 4211   5.883   6.792   1.289 -0.1793 -1.7956  2.0431
+  921TIP3    H2 4212   5.887   6.937   1.332  0.0871 -0.3598 -2.4920
+  922TIP3   OH2 4213   5.917   1.410   1.280  1.0106  0.0869  0.3504
+  922TIP3    H1 4214   5.989   1.369   1.232  0.8096 -0.3177  0.3902
+  922TIP3    H2 4215   5.906   1.496   1.240  1.3842  0.0666  0.2121
+  923TIP3   OH2 4216   1.864   0.092   0.608  0.3670 -0.5516  0.2650
+  923TIP3    H1 4217   1.826   0.040   0.537  1.1829 -0.2245 -0.4224
+  923TIP3    H2 4218   1.855   0.037   0.685 -1.3475 -0.5523  0.0980
+  924TIP3   OH2 4219   6.525   1.278   1.097 -0.1215  0.1333 -0.2004
+  924TIP3    H1 4220   6.554   1.319   1.179  0.2695 -0.7258  0.0868
+  924TIP3    H2 4221   6.544   1.343   1.030 -1.5684  1.3589  0.5305
+  925TIP3   OH2 4222   4.443   3.172   0.157 -0.4393 -0.1738  1.1584
+  925TIP3    H1 4223   4.471   3.141   0.244  1.1913  0.5523  0.9110
+  925TIP3    H2 4224   4.524   3.177   0.107 -0.9751  2.2578  0.4770
+  926TIP3   OH2 4225   5.558   1.019   0.413  0.2349 -0.4134  0.4604
+  926TIP3    H1 4226   5.570   1.106   0.451 -0.3925  0.1582 -0.6236
+  926TIP3    H2 4227   5.544   0.961   0.489  0.4879  0.4484  1.1730
+  927TIP3   OH2 4228   0.420   1.729   1.298 -0.2812 -0.4003 -0.3116
+  927TIP3    H1 4229   0.379   1.761   1.218  0.2152 -0.2802 -0.5197
+  927TIP3    H2 4230   0.503   1.693   1.269  0.2897  0.4406  0.2647
+  928TIP3   OH2 4231   4.630   1.166   0.345  0.9663  0.1011 -0.0278
+  928TIP3    H1 4232   4.679   1.225   0.287  1.1118  0.2170  0.2126
+  928TIP3    H2 4233   4.685   1.157   0.423  0.7614 -0.0362  0.1037
+  929TIP3   OH2 4234   6.241   0.511   6.774 -0.3226 -0.0088  0.0593
+  929TIP3    H1 4235   6.238   0.416   6.767 -0.5139 -0.0040  0.0730
+  929TIP3    H2 4236   6.291   0.528   6.854  0.0226 -0.0927 -0.1366
+  930TIP3   OH2 4237   1.906   6.200   0.783  0.3137  0.1342 -0.3584
+  930TIP3    H1 4238   1.946   6.119   0.754  0.4422 -0.0106  0.2318
+  930TIP3    H2 4239   1.978   6.252   0.819  0.1663  0.3491 -0.3702
+  931TIP3   OH2 4240   3.642   2.333   5.018  0.2317 -0.1032 -0.4150
+  931TIP3    H1 4241   3.672   2.268   4.954  1.0950  0.7610 -0.9065
+  931TIP3    H2 4242   3.723   2.372   5.051 -0.2468  0.0578  0.5806
+  932TIP3   OH2 4243   5.799   0.978   1.729 -0.0763  0.4023 -0.7780
+  932TIP3    H1 4244   5.720   0.926   1.718  0.9146 -1.6907  1.4617
+  932TIP3    H2 4245   5.787   1.023   1.813  0.5616  1.0625 -1.0340
+  933TIP3   OH2 4246   0.262   1.367   1.589  0.3361 -0.1008  0.2275
+  933TIP3    H1 4247   0.245   1.442   1.531  1.2762  0.3121  0.4744
+  933TIP3    H2 4248   0.263   1.404   1.677 -2.9850 -1.0438  0.7065
+  934TIP3   OH2 4249   5.950   2.286   1.892 -0.0251  0.2357  0.7542
+  934TIP3    H1 4250   6.015   2.216   1.897  0.3790  0.4737 -0.8849
+  934TIP3    H2 4251   6.001   2.367   1.902 -0.3345  0.3573  1.4110
+  935TIP3   OH2 4252   0.100   3.222   1.785  0.0840 -0.0179  0.1870
+  935TIP3    H1 4253   0.093   3.316   1.769 -1.4798  0.1399  1.6451
+  935TIP3    H2 4254   0.021   3.200   1.836  0.5541 -2.0643  0.0883
+  936TIP3   OH2 4255   6.174   2.768   0.283  0.9721  0.0372 -0.0439
+  936TIP3    H1 4256   6.202   2.849   0.326 -0.3705  0.3414  0.2932
+  936TIP3    H2 4257   6.162   2.793   0.192  0.0212  0.3582  0.1668
+  937TIP3   OH2 4258   5.921   0.697   2.831 -0.5187  0.7531 -0.5908
+  937TIP3    H1 4259   5.850   0.672   2.890 -1.8398  1.0574 -2.0253
+  937TIP3    H2 4260   5.922   0.793   2.834  0.3047  0.7347 -0.0366
+  938TIP3   OH2 4261   1.452   0.744   1.162  0.0399  0.0254 -0.2330
+  938TIP3    H1 4262   1.415   0.755   1.075  2.8654  0.4482 -1.4310
+  938TIP3    H2 4263   1.383   0.700   1.212 -1.6883 -0.0462 -2.6064
+  939TIP3   OH2 4264   0.183   2.001   2.444  0.2484  0.7005  0.1867
+  939TIP3    H1 4265   0.117   1.934   2.459 -0.5812  1.8410  1.6910
+  939TIP3    H2 4266   0.266   1.958   2.466 -0.1826 -0.0716  0.3241
+  940TIP3   OH2 4267   5.107   3.357   1.600 -0.2991  0.6968  0.0088
+  940TIP3    H1 4268   5.028   3.353   1.546 -0.5701  0.2919  0.4227
+  940TIP3    H2 4269   5.120   3.450   1.619  0.8459  1.0357 -2.2631
+  941TIP3   OH2 4270   1.889   3.001   1.149  0.0994 -0.0980 -0.1957
+  941TIP3    H1 4271   1.978   2.971   1.170  0.2957  0.5664 -0.0633
+  941TIP3    H2 4272   1.834   2.962   1.217  0.6580  1.6064  1.3000
+  942TIP3   OH2 4273   2.217   6.125   0.015  0.4565 -0.1155  0.1148
+  942TIP3    H1 4274   2.227   6.220   0.009 -2.7682  0.2430 -0.5244
+  942TIP3    H2 4275   2.180   6.110   0.102  0.1990 -0.6975 -0.0908
+  943TIP3   OH2 4276   5.450   5.565   1.314 -0.5152 -0.6878 -0.0580
+  943TIP3    H1 4277   5.512   5.493   1.325 -0.2135 -0.0243  2.9508
+  943TIP3    H2 4278   5.365   5.521   1.305 -0.3746 -1.4450  2.0199
+  944TIP3   OH2 4279   5.015   6.715   6.080 -0.6772  0.4853  0.1269
+  944TIP3    H1 4280   5.017   6.619   6.080 -0.4876  0.4894  0.4013
+  944TIP3    H2 4281   4.955   6.737   6.151  0.2918  0.5893  0.9330
+  945TIP3   OH2 4282   6.420   6.401   3.077  0.1174  0.1318  0.1009
+  945TIP3    H1 4283   6.494   6.461   3.084  0.9071 -0.5437 -1.8989
+  945TIP3    H2 4284   6.412   6.384   2.983 -1.3853 -1.2871  0.4541
+  946TIP3   OH2 4285   0.346   2.471   6.011 -0.2074 -0.1658  0.4672
+  946TIP3    H1 4286   0.323   2.557   5.975 -1.6172 -0.0053  1.7190
+  946TIP3    H2 4287   0.268   2.417   5.998  0.3331 -0.9765  0.5630
+  947TIP3   OH2 4288   5.665   5.063   0.607 -0.0000 -0.1912  0.1257
+  947TIP3    H1 4289   5.656   5.118   0.529  1.1788 -0.6326 -0.3273
+  947TIP3    H2 4290   5.680   4.975   0.573  2.9217  0.0107  0.8307
+  948TIP3   OH2 4291   6.318   6.275   0.766 -0.3914  0.6482  0.0415
+  948TIP3    H1 4292   6.384   6.214   0.798 -0.8407 -0.0072 -0.2602
+  948TIP3    H2 4293   6.236   6.226   0.772 -1.3640  2.5268  3.4769
+  949TIP3   OH2 4294   6.886   0.966   1.156 -0.0797 -0.0599  0.3179
+  949TIP3    H1 4295   6.832   0.892   1.182  1.8424 -1.1336  1.3172
+  949TIP3    H2 4296   6.973   0.945   1.188  0.8992  1.7610 -1.0573
+  950TIP3   OH2 4297   3.838   0.897   2.541  0.0716  0.4296 -0.4049
+  950TIP3    H1 4298   3.791   0.824   2.581  0.8238 -0.4380 -1.0874
+  950TIP3    H2 4299   3.889   0.935   2.613  0.6192 -0.4790 -0.3044
+  951TIP3   OH2 4300   0.766   0.478   1.303  0.5269 -0.2581 -0.0808
+  951TIP3    H1 4301   0.842   0.485   1.360  0.9475  1.2337 -0.7819
+  951TIP3    H2 4302   0.696   0.524   1.351  0.6642  0.2946 -0.4089
+  952TIP3   OH2 4303   0.203   5.232   6.376  0.0335  0.3014 -0.1554
+  952TIP3    H1 4304   0.144   5.244   6.302  0.2865  0.8843 -0.2587
+  952TIP3    H2 4305   0.277   5.183   6.340  0.6237  1.4443 -0.5225
+  953TIP3   OH2 4306   0.361   4.234   2.233 -1.0981  0.6640 -0.6460
+  953TIP3    H1 4307   0.418   4.200   2.164 -1.1771  0.3023 -0.5349
+  953TIP3    H2 4308   0.372   4.329   2.229  0.4642  0.5247  0.2115
+  954TIP3   OH2 4309   0.645   2.887   6.769 -0.5816  0.3064  0.6021
+  954TIP3    H1 4310   0.683   2.940   6.839  1.7096 -0.7759  0.2207
+  954TIP3    H2 4311   0.627   2.950   6.699  1.9371  0.6609  0.2254
+  955TIP3   OH2 4312   5.420   1.803   1.783  0.0788  0.5167 -0.3820
+  955TIP3    H1 4313   5.331   1.769   1.777  0.6716 -1.4166  1.3861
+  955TIP3    H2 4314   5.463   1.748   1.849  3.3573 -0.2794 -3.0251
+  956TIP3   OH2 4315   1.191   3.317   6.400 -0.0805  0.2124  0.4863
+  956TIP3    H1 4316   1.102   3.283   6.400  0.1846 -0.5076  0.2462
+  956TIP3    H2 4317   1.199   3.365   6.318 -0.3281  0.4959  0.6288
+  957TIP3   OH2 4318   5.848   3.955   0.693  0.0174  0.2834 -0.8767
+  957TIP3    H1 4319   5.895   4.036   0.672  1.6141  0.0816  1.6537
+  957TIP3    H2 4320   5.912   3.886   0.683  0.5552  0.0473  3.0869
+  958TIP3   OH2 4321   0.930   3.719   1.328 -0.0306  0.0537 -0.1278
+  958TIP3    H1 4322   0.956   3.672   1.407 -0.9033  2.1172  1.4252
+  958TIP3    H2 4323   0.837   3.738   1.341 -0.7680 -1.4550 -2.6465
+  959TIP3   OH2 4324   0.157   2.899   0.967 -0.0841 -0.8739 -0.0794
+  959TIP3    H1 4325   0.159   2.866   1.057 -1.9515 -0.8862 -0.0090
+  959TIP3    H2 4326   0.248   2.914   0.945  0.4954 -2.0770  1.3773
+  960TIP3   OH2 4327   2.808   4.764   1.467 -0.0758 -0.1605  0.3222
+  960TIP3    H1 4328   2.869   4.752   1.394  0.2142  0.9338  0.3859
+  960TIP3    H2 4329   2.729   4.718   1.439  0.8246 -1.7843  0.3268
+  961TIP3   OH2 4330   0.974   1.774   0.684  0.2393 -0.3144 -0.0160
+  961TIP3    H1 4331   0.941   1.786   0.773 -1.2882  1.8668 -0.8243
+  961TIP3    H2 4332   1.068   1.787   0.690  0.2255 -0.8111  1.3588
+  962TIP3   OH2 4333   1.684   2.416   1.177  0.2105 -0.5895 -0.3641
+  962TIP3    H1 4334   1.743   2.491   1.184  0.4208 -0.6094 -1.6942
+  962TIP3    H2 4335   1.628   2.436   1.102 -1.1957 -0.7712  0.6335
+  963TIP3   OH2 4336   0.071   2.879   0.376  0.2613  0.1180 -0.1884
+  963TIP3    H1 4337   0.111   2.804   0.331 -0.1511  0.7564 -1.6217
+  963TIP3    H2 4338   0.018   2.840   0.445  0.9151 -0.8626 -0.2257
+  964TIP3   OH2 4339   0.310   1.212   2.121 -0.3209  0.3053 -0.1805
+  964TIP3    H1 4340   0.330   1.169   2.204 -0.1015  0.9734  0.1177
+  964TIP3    H2 4341   0.235   1.268   2.141 -0.4608  0.2335 -0.5071
+  965TIP3   OH2 4342   0.850   2.800   4.921  0.4431  0.6693 -0.2134
+  965TIP3    H1 4343   0.821   2.812   4.831 -0.0503 -2.9204 -0.5824
+  965TIP3    H2 4344   0.769   2.784   4.970  1.0646 -1.6833  0.0943
+  966TIP3   OH2 4345   0.883   3.542   0.547 -0.0524 -0.0451  0.7084
+  966TIP3    H1 4346   0.882   3.495   0.464 -0.2517  0.4828  0.4160
+  966TIP3    H2 4347   0.809   3.506   0.596 -0.2584  0.0295  0.4489
+  967TIP3   OH2 4348   6.597   2.201   1.687 -0.2764  0.2431 -0.4127
+  967TIP3    H1 4349   6.570   2.290   1.708  1.8559  0.4212  1.8054
+  967TIP3    H2 4350   6.691   2.208   1.669 -0.1285 -1.5314 -0.4234
+  968TIP3   OH2 4351   0.898   1.423   2.763 -0.1793  0.7441 -0.4678
+  968TIP3    H1 4352   0.827   1.402   2.702 -0.1303 -0.0420 -0.2618
+  968TIP3    H2 4353   0.974   1.376   2.729 -0.0993  0.4695  0.0750
+  969TIP3   OH2 4354   1.083   2.718   6.454 -0.5926 -0.7062 -0.4252
+  969TIP3    H1 4355   1.033   2.725   6.373 -1.0709  0.5489 -0.0254
+  969TIP3    H2 4356   1.022   2.742   6.523 -0.0188 -1.1811  0.2588
+  970TIP3   OH2 4357   3.188   4.732   1.030 -0.8874 -0.0680  0.4417
+  970TIP3    H1 4358   3.162   4.819   1.001 -0.6133 -1.0651 -3.0755
+  970TIP3    H2 4359   3.281   4.726   1.009 -0.5272 -0.6515  2.1257
+  971TIP3   OH2 4360   1.486   4.570   0.793  0.7499 -0.1770  0.3176
+  971TIP3    H1 4361   1.484   4.660   0.762 -1.9999 -0.0975  0.5560
+  971TIP3    H2 4362   1.467   4.518   0.715 -2.0964 -0.2205  0.9619
+  972TIP3   OH2 4363   2.891   3.457   6.812  0.0007  0.1789 -0.3433
+  972TIP3    H1 4364   2.958   3.524   6.825  2.0004 -1.7219 -0.6612
+  972TIP3    H2 4365   2.936   3.374   6.828 -2.4664 -1.0994  0.1885
+  973TIP3   OH2 4366   0.466   0.390   1.631  0.0166  0.0422 -0.5364
+  973TIP3    H1 4367   0.445   0.445   1.707 -1.2223 -0.1900 -0.6895
+  973TIP3    H2 4368   0.384   0.385   1.582  0.6283 -0.3837 -1.5299
+  974TIP3   OH2 4369   1.168   4.408   0.493  0.3543 -0.6274 -0.9536
+  974TIP3    H1 4370   1.165   4.473   0.423  0.4390  1.1172  0.6174
+  974TIP3    H2 4371   1.261   4.400   0.514  0.0653  1.7146  1.4944
+  975TIP3   OH2 4372   1.318   3.556   2.192 -0.1274  0.3994 -0.5123
+  975TIP3    H1 4373   1.243   3.506   2.161 -0.0115  0.5943 -1.1262
+  975TIP3    H2 4374   1.322   3.632   2.134 -1.7174  2.3784  1.8797
+  976TIP3   OH2 4375   6.349   5.073   0.445 -0.0799 -0.3391  0.8383
+  976TIP3    H1 4376   6.342   4.978   0.449 -1.3135 -0.3071 -0.5549
+  976TIP3    H2 4377   6.429   5.093   0.495 -0.2907 -2.0197  1.8782
+  977TIP3   OH2 4378   6.459   1.165   0.149 -0.4108 -0.3176 -0.2312
+  977TIP3    H1 4379   6.372   1.151   0.111 -1.3818  0.8788  1.4897
+  977TIP3    H2 4380   6.473   1.259   0.142  0.4582 -0.4203  0.1080
+  978TIP3   OH2 4381   0.310   1.622   1.528  0.2047 -0.3057 -0.3435
+  978TIP3    H1 4382   0.357   1.621   1.611  0.9476 -0.5537 -0.7620
+  978TIP3    H2 4383   0.376   1.648   1.463 -0.9860  2.4698 -0.4818
+  979TIP3   OH2 4384   0.534   4.348   5.206  0.0193 -0.1441  0.4774
+  979TIP3    H1 4385   0.497   4.262   5.227  0.5870  0.2486  3.1898
+  979TIP3    H2 4386   0.627   4.330   5.190  0.3502  0.0882  2.0625
+  980TIP3   OH2 4387   1.340   4.489   6.548 -0.1529 -0.0864  0.4035
+  980TIP3    H1 4388   1.265   4.542   6.578 -0.2811  1.2010 -2.0377
+  980TIP3    H2 4389   1.389   4.548   6.491  1.3241 -1.7288 -0.0531
+  981TIP3   OH2 4390   0.583   3.701   0.423 -0.7988 -0.1721 -0.0559
+  981TIP3    H1 4391   0.611   3.659   0.342 -0.5402 -1.0721  0.4839
+  981TIP3    H2 4392   0.661   3.748   0.453  0.2019 -2.6441  1.4252
+  982TIP3   OH2 4393   0.688   3.775   5.837  0.5434 -0.3267  0.1826
+  982TIP3    H1 4394   0.742   3.727   5.900  0.7798  0.5419  0.6510
+  982TIP3    H2 4395   0.718   3.744   5.751  0.1422 -1.5961  0.4906
+  983TIP3   OH2 4396   0.907   2.731   0.164 -0.6824 -0.2836  0.2574
+  983TIP3    H1 4397   0.953   2.746   0.247  0.8858  2.5188 -1.0423
+  983TIP3    H2 4398   0.829   2.786   0.169  0.7142  1.9096 -1.0831
+  984TIP3   OH2 4399   0.214   4.147   0.703 -0.1879 -0.1181 -0.4301
+  984TIP3    H1 4400   0.216   4.217   0.769  0.5444 -0.3775 -0.1839
+  984TIP3    H2 4401   0.191   4.069   0.752 -0.9025 -0.0793 -0.6911
+  985TIP3   OH2 4402   2.327   1.840   1.352  0.1094  0.0604  0.2197
+  985TIP3    H1 4403   2.386   1.811   1.422  0.5290  1.3821  0.4369
+  985TIP3    H2 4404   2.384   1.851   1.276 -0.3294 -1.2718 -0.3096
+  986TIP3   OH2 4405   6.451   1.250   3.290  0.1015  0.0695 -0.5663
+  986TIP3    H1 4406   6.435   1.171   3.238 -1.8155 -0.3938  0.6984
+  986TIP3    H2 4407   6.447   1.322   3.227  0.5371 -0.7116 -1.4973
+  987TIP3   OH2 4408   0.942   5.994   0.795  0.0658  0.4605  0.7143
+  987TIP3    H1 4409   0.878   5.948   0.741  1.0955 -1.0909  0.7746
+  987TIP3    H2 4410   0.914   6.086   0.793 -0.8276  0.1713 -1.1292
+  988TIP3   OH2 4411   3.644   0.207   1.799  0.0938 -0.1135 -0.1274
+  988TIP3    H1 4412   3.562   0.158   1.793 -0.1422 -0.2268  3.1091
+  988TIP3    H2 4413   3.707   0.145   1.836  1.0044  0.6490 -0.3834
+  989TIP3   OH2 4414   0.134   2.661   2.756  0.6469  0.6390  0.0138
+  989TIP3    H1 4415   0.151   2.731   2.693  1.3823 -0.9166 -1.5480
+  989TIP3    H2 4416   0.078   2.599   2.710  0.1379  0.0824  1.3324
+  990TIP3   OH2 4417   1.249   2.952   0.844 -0.3340  0.5450 -0.6188
+  990TIP3    H1 4418   1.182   2.904   0.795  0.6457 -1.9899  0.4227
+  990TIP3    H2 4419   1.267   3.029   0.791 -1.3718 -0.6705 -2.8128
+  991TIP3   OH2 4420   0.356   1.114   0.996  0.1312 -0.2385 -0.1841
+  991TIP3    H1 4421   0.338   1.158   0.913  1.0548  0.2029 -0.1514
+  991TIP3    H2 4422   0.333   1.179   1.063 -1.6850 -0.9804 -0.0518
+  992TIP3   OH2 4423   2.083   4.044   5.570 -0.1294 -0.2712 -0.5181
+  992TIP3    H1 4424   2.068   4.101   5.645  0.6628  0.6668 -1.0648
+  992TIP3    H2 4425   2.174   4.016   5.578 -0.7521 -2.1728  0.2152
+  993TIP3   OH2 4426   5.881   2.655   1.467  0.0103  0.0149  0.0870
+  993TIP3    H1 4427   5.837   2.717   1.409  1.4680 -1.0627 -2.2423
+  993TIP3    H2 4428   5.830   2.574   1.460  0.8603 -0.4695 -0.6353
+  994TIP3   OH2 4429   0.374   2.091   0.721 -0.3916 -0.1270  0.1314
+  994TIP3    H1 4430   0.338   2.144   0.649  0.8134 -0.9889 -1.1213
+  994TIP3    H2 4431   0.454   2.053   0.685  1.7202  1.6078  2.8203
+  995TIP3   OH2 4432   6.326   2.421   2.316 -0.1603 -1.0429  0.0117
+  995TIP3    H1 4433   6.271   2.401   2.241 -1.8456  0.4779  0.8051
+  995TIP3    H2 4434   6.275   2.393   2.392  0.4856 -0.3271  0.7230
+  996TIP3   OH2 4435   5.991   3.507   1.556  0.2308  0.2997  0.3414
+  996TIP3    H1 4436   6.013   3.590   1.599  2.1409  0.7266 -1.3406
+  996TIP3    H2 4437   6.070   3.486   1.505 -0.7884 -1.8023 -0.3980
+  997TIP3   OH2 4438   0.668   4.812   0.058  0.5681 -0.1969  0.2386
+  997TIP3    H1 4439   0.679   4.789   0.151  0.4741 -1.4097 -0.0387
+  997TIP3    H2 4440   0.603   4.749   0.026 -0.4423  1.0993 -0.3251
+  998TIP3   OH2 4441   0.133   3.393   1.031 -0.2437  0.0666  0.6742
+  998TIP3    H1 4442   0.109   3.304   1.005  0.6835 -0.1150  0.3992
+  998TIP3    H2 4443   0.077   3.412   1.106 -0.4240 -0.7651  0.7586
+  999TIP3   OH2 4444   1.266   2.622   6.752  0.7422  0.2710  0.0369
+  999TIP3    H1 4445   1.214   2.614   6.832  1.7533 -3.6865  0.3770
+  999TIP3    H2 4446   1.228   2.698   6.707 -1.1050  1.3855  3.2941
+ 1000TIP3   OH2 4447   6.322   1.072   1.141 -0.4813 -0.6536  0.4900
+ 1000TIP3    H1 4448   6.382   1.146   1.130 -2.5665  0.9787 -0.2418
+ 1000TIP3    H2 4449   6.350   1.009   1.074 -0.7022  0.8498 -1.0378
+ 1001TIP3   OH2 4450   2.680   3.437   1.419 -0.2895 -0.1041 -0.1958
+ 1001TIP3    H1 4451   2.674   3.434   1.324  1.4677  1.0551 -0.3765
+ 1001TIP3    H2 4452   2.683   3.531   1.439  1.1981 -0.3656  0.8544
+ 1002TIP3   OH2 4453   0.349   1.265   6.755  0.3405 -0.5888  0.2203
+ 1002TIP3    H1 4454   0.264   1.221   6.757  0.5498 -0.9757  0.4380
+ 1002TIP3    H2 4455   0.407   1.202   6.712  0.7512 -0.7144  0.9733
+ 1003TIP3   OH2 4456   1.023   5.453   1.862  0.3076  0.1758 -0.2230
+ 1003TIP3    H1 4457   1.091   5.520   1.854  0.5561 -0.0124  0.2640
+ 1003TIP3    H2 4458   1.057   5.378   1.814  0.4671  0.0636  0.0646
+ 1004TIP3   OH2 4459   2.291   4.835   1.123 -0.2602 -0.1983  0.2465
+ 1004TIP3    H1 4460   2.366   4.816   1.067  0.4740  0.5216  0.9518
+ 1004TIP3    H2 4461   2.214   4.815   1.070  0.4246  0.1880 -0.8982
+ 1005TIP3   OH2 4462   6.125   5.631   1.595  0.3649 -0.3362  0.4215
+ 1005TIP3    H1 4463   6.043   5.600   1.557  0.7726 -0.9064  0.0016
+ 1005TIP3    H2 4464   6.100   5.668   1.680 -0.8067  2.2765 -0.9654
+ 1006TIP3   OH2 4465   2.459   4.532   5.675 -0.6236  0.2542  0.1017
+ 1006TIP3    H1 4466   2.444   4.447   5.717  0.5173 -1.3393 -2.5461
+ 1006TIP3    H2 4467   2.508   4.583   5.739  1.2395 -2.1736  0.6749
+ 1007TIP3   OH2 4468   1.002   3.656   0.798  0.2776 -0.0793 -0.2426
+ 1007TIP3    H1 4469   0.985   3.626   0.709  0.8728 -0.8174 -0.1131
+ 1007TIP3    H2 4470   1.078   3.605   0.826 -0.3903 -0.4078  0.9782
+ 1008TIP3   OH2 4471   0.639   1.718   6.626 -0.2659 -0.2160  0.2866
+ 1008TIP3    H1 4472   0.544   1.727   6.622 -0.3763 -0.7463  1.4600
+ 1008TIP3    H2 4473   0.666   1.784   6.690  0.2937  0.7389 -0.8986
+ 1009TIP3   OH2 4474   6.407   1.050   1.891  0.4699  0.5504 -0.3137
+ 1009TIP3    H1 4475   6.432   0.966   1.855  0.2865  0.7703 -0.9564
+ 1009TIP3    H2 4476   6.450   1.054   1.976  0.0103 -0.4397 -0.0266
+ 1010TIP3   OH2 4477   2.435   2.183   6.527 -0.3932 -0.8414 -0.2014
+ 1010TIP3    H1 4478   2.375   2.117   6.492 -0.9192 -0.6153  0.2852
+ 1010TIP3    H2 4479   2.513   2.174   6.472 -1.4250 -0.1100 -1.8150
+ 1011TIP3   OH2 4480   0.704   6.625   1.986 -0.1952 -0.4579 -0.6982
+ 1011TIP3    H1 4481   0.781   6.618   1.930  0.2594  1.1871 -0.2934
+ 1011TIP3    H2 4482   0.713   6.553   2.048  1.4223  0.1894 -0.1664
+ 1012TIP3   OH2 4483   0.181   3.505   5.730 -0.3563 -0.3775 -0.2115
+ 1012TIP3    H1 4484   0.214   3.415   5.734  1.1330 -0.0146 -2.8204
+ 1012TIP3    H2 4485   0.261   3.559   5.724 -1.2903  0.8770 -1.7766
+ 1013TIP3   OH2 4486   1.490   2.970   0.702 -0.0235 -0.4306  0.8469
+ 1013TIP3    H1 4487   1.491   2.876   0.722  0.2877  0.0156  3.0381
+ 1013TIP3    H2 4488   1.519   3.012   0.783 -0.5417  1.5873  0.0105
+ 1014TIP3   OH2 4489   1.322   0.298   6.850  0.3068 -0.2557 -0.8518
+ 1014TIP3    H1 4490   1.295   0.222   6.797 -0.5168  0.0791 -0.9238
+ 1014TIP3    H2 4491   1.253   0.306   6.916  1.2734 -0.6006  0.2176
+ 1015TIP3   OH2 4492   1.571   4.727   5.113 -0.5689 -0.7112 -0.1582
+ 1015TIP3    H1 4493   1.521   4.706   5.034  0.9088  1.4114 -1.6694
+ 1015TIP3    H2 4494   1.570   4.822   5.118  2.4355 -0.6595  0.3533
+ 1016TIP3   OH2 4495   2.266   4.240   0.694 -0.5465 -0.1578 -0.0560
+ 1016TIP3    H1 4496   2.351   4.196   0.691 -1.4931 -2.0918  0.6046
+ 1016TIP3    H2 4497   2.286   4.327   0.731  1.3341 -0.0324 -1.2874
+ 1017TIP3   OH2 4498   0.500   2.473   6.617  0.1643  0.3590 -0.0177
+ 1017TIP3    H1 4499   0.532   2.559   6.590  1.0318  0.4237  1.1563
+ 1017TIP3    H2 4500   0.570   2.437   6.671 -1.7541  0.5548  2.7116
+ 1018TIP3   OH2 4501   0.866   3.082   6.661 -1.0862 -0.8676  0.1590
+ 1018TIP3    H1 4502   0.892   2.991   6.646 -2.5677 -1.0699 -1.4839
+ 1018TIP3    H2 4503   0.786   3.076   6.714 -0.3570 -0.4514  1.3206
+ 1019TIP3   OH2 4504   1.138   5.807   6.448 -0.2108 -0.0945 -0.2863
+ 1019TIP3    H1 4505   1.168   5.797   6.358  0.8329  0.5302 -0.0082
+ 1019TIP3    H2 4506   1.196   5.873   6.486  0.5377 -1.6718  1.3889
+ 1020TIP3   OH2 4507   1.525   4.478   1.218  0.1487  0.1196  0.2015
+ 1020TIP3    H1 4508   1.510   4.409   1.154 -2.5986 -0.7089  1.6444
+ 1020TIP3    H2 4509   1.531   4.559   1.166  0.0309 -0.7883 -1.2465
+ 1021TIP3   OH2 4510   0.678   1.404   6.491 -0.6983  0.0533  0.1066
+ 1021TIP3    H1 4511   0.737   1.360   6.552  0.3066  1.8957  0.5108
+ 1021TIP3    H2 4512   0.664   1.490   6.529 -0.3658  1.1070 -2.0429
+ 1022TIP3   OH2 4513   1.325   3.821   6.131  0.3276 -0.0278 -0.8771
+ 1022TIP3    H1 4514   1.294   3.838   6.220  0.5184 -1.4453 -0.5208
+ 1022TIP3    H2 4515   1.410   3.864   6.127 -0.2646  1.1689 -0.8172
+ 1023TIP3   OH2 4516   1.701   1.805   6.516 -0.2445 -0.3796  0.0166
+ 1023TIP3    H1 4517   1.636   1.738   6.496 -0.7371  0.4329 -1.2144
+ 1023TIP3    H2 4518   1.756   1.809   6.438  0.4954 -0.1815  0.5510
+ 1024TIP3   OH2 4519   6.569   3.351   6.305 -0.6462 -0.5767  0.0439
+ 1024TIP3    H1 4520   6.627   3.371   6.231 -0.4030 -1.7556 -0.1029
+ 1024TIP3    H2 4521   6.608   3.273   6.345 -1.2596 -0.4497  0.9020
+ 1025TIP3   OH2 4522   6.629   1.931   6.574  0.2987 -0.2235  0.4022
+ 1025TIP3    H1 4523   6.572   1.957   6.646 -0.2102  1.3706 -0.5586
+ 1025TIP3    H2 4524   6.616   1.997   6.507  2.7363 -0.2214 -0.1477
+ 1026TIP3   OH2 4525   1.424   4.845   6.670 -0.1142 -0.1386 -0.8391
+ 1026TIP3    H1 4526   1.517   4.843   6.692 -0.4502 -1.5009  0.5535
+ 1026TIP3    H2 4527   1.421   4.822   6.577  0.8362 -1.8238 -0.4729
+ 1027TIP3   OH2 4528   0.578   5.258   6.439 -0.6250 -0.6931 -0.1949
+ 1027TIP3    H1 4529   0.631   5.261   6.359  0.0330 -0.0656  0.2570
+ 1027TIP3    H2 4530   0.607   5.335   6.489 -2.5192  0.1049 -0.2995
+ 1028TIP3   OH2 4531   2.640   4.099   1.913  0.3491 -0.2323 -0.1646
+ 1028TIP3    H1 4532   2.576   4.079   1.982  0.8615 -0.0479  0.3604
+ 1028TIP3    H2 4533   2.721   4.116   1.959  0.2166  1.9672 -0.6782
+ 1029TIP3   OH2 4534   6.571   3.615   0.133 -0.2116 -0.3894 -0.1206
+ 1029TIP3    H1 4535   6.542   3.641   0.221 -1.8151 -1.2546 -0.3628
+ 1029TIP3    H2 4536   6.539   3.685   0.076  0.0416 -0.2802 -0.1293
+ 1030TIP3   OH2 4537   1.907   6.032   5.596  0.5377 -0.2474 -0.7552
+ 1030TIP3    H1 4538   1.815   6.007   5.608  0.3963  0.0537 -1.2377
+ 1030TIP3    H2 4539   1.930   6.078   5.677 -0.2120  1.1371 -1.3236
+ 1031TIP3   OH2 4540   0.279   1.727   1.026  0.5638  0.4185 -0.0485
+ 1031TIP3    H1 4541   0.242   1.795   0.968 -0.2714 -0.8774 -1.0803
+ 1031TIP3    H2 4542   0.202   1.682   1.062  1.1070  0.1961  0.8445
+ 1032TIP3   OH2 4543   0.849   2.632   6.259  0.0223  0.2095  0.1072
+ 1032TIP3    H1 4544   0.883   2.543   6.265 -0.8679 -0.0882  0.7215
+ 1032TIP3    H2 4545   0.861   2.656   6.167 -1.6163 -1.3023 -0.5298
+ 1033TIP3   OH2 4546   1.272   4.804   1.675  0.8252  0.1874 -0.1260
+ 1033TIP3    H1 4547   1.264   4.880   1.617 -0.5143  0.6629  0.6585
+ 1033TIP3    H2 4548   1.228   4.733   1.627  0.7420  0.2868 -0.1967
+ 1034TIP3   OH2 4549   0.744   0.324   2.423 -0.1522 -0.6671 -0.3092
+ 1034TIP3    H1 4550   0.683   0.325   2.497 -0.8793 -1.7534 -0.8857
+ 1034TIP3    H2 4551   0.830   0.323   2.464 -0.5594 -2.0392  0.5481
+ 1035TIP3   OH2 4552   6.387   0.289   1.618  0.1756  0.3855 -0.7048
+ 1035TIP3    H1 4553   6.440   0.262   1.693 -0.8491  0.5536  0.0974
+ 1035TIP3    H2 4554   6.437   0.261   1.542  1.7310  1.1279  0.0222
+ 1036TIP3   OH2 4555  -0.005   2.464   1.850 -0.4925 -0.0580  1.1314
+ 1036TIP3    H1 4556   0.078   2.423   1.874  1.2339  3.2246  1.1065
+ 1036TIP3    H2 4557  -0.011   2.452   1.755  0.4749  0.5300  0.9823
+ 1037TIP3   OH2 4558   2.141   2.355   2.289  0.2831  0.4151  0.8817
+ 1037TIP3    H1 4559   2.158   2.444   2.320 -0.1357  0.7056  0.2932
+ 1037TIP3    H2 4560   2.064   2.326   2.338  1.0729 -0.0352  1.8676
+ 1038TIP3   OH2 4561   6.582   0.225   0.612  0.7085  0.4726  0.5126
+ 1038TIP3    H1 4562   6.640   0.175   0.669 -0.1546 -0.6088  0.4567
+ 1038TIP3    H2 4563   6.500   0.176   0.613 -0.6028  2.6280  1.5396
+ 1039TIP3   OH2 4564   1.084   2.890   5.780 -0.4072  0.3586 -0.3608
+ 1039TIP3    H1 4565   1.094   2.967   5.836  0.3127  0.3862 -0.5297
+ 1039TIP3    H2 4566   1.166   2.843   5.787 -0.8299 -0.3767 -0.3005
+ 1040TIP3   OH2 4567   0.520   1.945   2.745  0.0833 -0.4620  0.1702
+ 1040TIP3    H1 4568   0.468   1.922   2.668 -0.6064 -0.5463  0.6599
+ 1040TIP3    H2 4569   0.513   1.869   2.803  0.4563 -0.3270  0.3924
+ 1041TIP3   OH2 4570   4.393   4.167   0.348  0.1887 -0.0882  0.1789
+ 1041TIP3    H1 4571   4.303   4.177   0.318  0.9251  1.7979 -1.5329
+ 1041TIP3    H2 4572   4.424   4.085   0.308  0.0116  0.5417 -1.2394
+ 1042TIP3   OH2 4573   0.618   4.418   2.794  0.0075  0.4789  0.3716
+ 1042TIP3    H1 4574   0.572   4.484   2.847 -0.0142 -0.0598  1.0316
+ 1042TIP3    H2 4575   0.556   4.397   2.724  0.0792  1.2748  0.0611
+ 1043TIP3   OH2 4576   2.283   4.514   6.778  0.2151  0.4456 -0.0226
+ 1043TIP3    H1 4577   2.306   4.536   6.688 -1.6316  0.0229 -0.6143
+ 1043TIP3    H2 4578   2.256   4.598   6.817  0.2023  0.4805 -0.1060
+ 1044TIP3   OH2 4579   2.045   4.190   2.866 -0.2172  0.2748  0.1189
+ 1044TIP3    H1 4580   2.121   4.193   2.809 -1.2449  0.5127 -1.2503
+ 1044TIP3    H2 4581   2.074   4.141   2.943  1.1483 -0.0908 -0.6337
+ 1045TIP3   OH2 4582   2.923   2.487   5.139  0.3596  0.1839  0.3780
+ 1045TIP3    H1 4583   2.946   2.432   5.214 -1.1420  0.7626  1.2794
+ 1045TIP3    H2 4584   2.870   2.431   5.083 -0.5090  0.4672  0.9116
+ 1046TIP3   OH2 4585   1.080   2.713   0.745  0.2016  0.1096  0.1603
+ 1046TIP3    H1 4586   1.131   2.656   0.801 -0.1489 -0.6606 -0.2954
+ 1046TIP3    H2 4587   1.130   2.718   0.663 -0.1342 -0.1514 -0.0649
+ 1047TIP3   OH2 4588   6.776   1.341   1.504 -0.5194 -0.3169  0.3380
+ 1047TIP3    H1 4589   6.817   1.257   1.484  1.5390  0.5142  0.9293
+ 1047TIP3    H2 4590   6.777   1.346   1.600  1.0737  1.1777  0.2589
+ 1048TIP3   OH2 4591   2.356   4.552   1.757 -0.1776  1.1526  0.3992
+ 1048TIP3    H1 4592   2.340   4.503   1.676  0.2160  1.5689  0.0707
+ 1048TIP3    H2 4593   2.324   4.640   1.738 -2.8154  0.5287  1.6700
+ 1049TIP3   OH2 4594   6.879   3.146   3.670 -0.2369 -0.4698 -0.3150
+ 1049TIP3    H1 4595   6.871   3.125   3.576 -0.2305 -2.7214  0.1671
+ 1049TIP3    H2 4596   6.798   3.193   3.690 -0.2501  0.0224 -1.4489
+ 1050TIP3   OH2 4597   2.134   4.760   0.926 -0.3160 -0.4349  0.4972
+ 1050TIP3    H1 4598   2.129   4.730   0.836 -1.5605 -0.1748  0.4684
+ 1050TIP3    H2 4599   2.071   4.706   0.973 -0.2666 -0.0247  1.0457
+ 1051TIP3   OH2 4600   1.360   3.108   1.421  0.3761  0.3101 -0.3910
+ 1051TIP3    H1 4601   1.381   3.034   1.363  0.0855 -0.9422  1.0626
+ 1051TIP3    H2 4602   1.445   3.141   1.449  0.5075  0.5350 -1.0260
+ 1052TIP3   OH2 4603   0.153   5.855   1.491 -0.2409  0.3505  0.2658
+ 1052TIP3    H1 4604   0.136   5.889   1.403  0.9703  0.6819  0.1514
+ 1052TIP3    H2 4605   0.081   5.888   1.544 -0.9632  0.1684 -0.6019
+ 1053TIP3   OH2 4606   2.031   2.306   5.844  0.3800 -0.1891  0.1501
+ 1053TIP3    H1 4607   1.997   2.276   5.760  1.6707  1.5799 -1.0545
+ 1053TIP3    H2 4608   2.007   2.399   5.848  0.7288 -0.1421  1.5252
+ 1054TIP3   OH2 4609   3.103   3.323   1.709  0.0420  0.0013  0.9193
+ 1054TIP3    H1 4610   3.058   3.308   1.626  0.3862 -0.5428  0.8232
+ 1054TIP3    H2 4611   3.033   3.342   1.772 -0.3507 -1.1650  0.8459
+ 1055TIP3   OH2 4612   1.242   5.297   0.027 -0.0338  0.3942 -0.1678
+ 1055TIP3    H1 4613   1.208   5.255   0.106 -0.8514  1.0798 -0.1546
+ 1055TIP3    H2 4614   1.288   5.227  -0.019 -0.5383 -0.2765  0.3427
+ 1056TIP3   OH2 4615   6.668   1.934   2.154 -0.3173 -0.3902  0.1059
+ 1056TIP3    H1 4616   6.699   1.926   2.064  0.9646  0.6390  0.4471
+ 1056TIP3    H2 4617   6.742   1.970   2.203 -1.0117 -0.8843  1.5687
+ 1057TIP3   OH2 4618   5.014   3.943   0.413 -0.1240 -0.4116 -0.1943
+ 1057TIP3    H1 4619   5.051   3.994   0.340 -0.4255 -0.0741 -0.1134
+ 1057TIP3    H2 4620   4.932   3.987   0.433  0.1888 -0.2167  0.6730
+ 1058TIP3   OH2 4621   1.821   4.050   6.244 -0.3457  0.6158  0.7300
+ 1058TIP3    H1 4622   1.840   3.976   6.186 -0.9049 -0.6439  2.1252
+ 1058TIP3    H2 4623   1.906   4.070   6.285 -0.1051  1.0279  0.0336
+ 1059TIP3   OH2 4624   1.693   4.120   5.654  0.1281  0.0001  0.4113
+ 1059TIP3    H1 4625   1.733   4.180   5.716 -0.4027 -0.0127  0.7680
+ 1059TIP3    H2 4626   1.600   4.120   5.676  0.1265 -0.9871  0.4462
+ 1060TIP3   OH2 4627   1.445   3.480   0.707  0.3873 -0.0577 -0.3559
+ 1060TIP3    H1 4628   1.410   3.497   0.620 -0.2420  0.4662 -0.0041
+ 1060TIP3    H2 4629   1.534   3.516   0.705 -0.4148  2.0078 -0.0842
+ 1061TIP3   OH2 4630   0.423   3.885   1.115 -0.1041 -0.2671  0.2626
+ 1061TIP3    H1 4631   0.492   3.906   1.177 -0.2881  1.6382 -0.1591
+ 1061TIP3    H2 4632   0.361   3.957   1.122 -1.1706 -1.0661 -0.6413
+ 1062TIP3   OH2 4633   6.588   2.946   3.359 -0.2144 -0.3345  0.3695
+ 1062TIP3    H1 4634   6.683   2.933   3.350 -0.0060  1.5910 -0.3917
+ 1062TIP3    H2 4635   6.575   2.963   3.452  0.2309 -0.2995  0.4273
+ 1063TIP3   OH2 4636   0.905   3.615   5.708 -0.2212  0.0864 -0.2271
+ 1063TIP3    H1 4637   0.922   3.693   5.655 -0.9870  0.2684 -0.2012
+ 1063TIP3    H2 4638   0.874   3.550   5.646 -0.4897  0.0961 -0.1044
+ 1064TIP3   OH2 4639   2.730   4.651   6.128 -0.3778 -0.1441  0.2090
+ 1064TIP3    H1 4640   2.675   4.697   6.064  1.8063  2.7002  0.2594
+ 1064TIP3    H2 4641   2.775   4.583   6.077  0.9559  1.7700 -1.2592
+ 1065TIP3   OH2 4642   0.998   3.935   1.136  0.5005 -1.4119 -0.0300
+ 1065TIP3    H1 4643   0.980   4.026   1.155 -2.2171 -1.5416 -1.7237
+ 1065TIP3    H2 4644   0.972   3.888   1.215  1.7552 -0.7457  0.7848
+ 1066TIP3   OH2 4645   2.062   2.683   0.184  0.4943 -0.0203 -0.2478
+ 1066TIP3    H1 4646   2.067   2.688   0.089 -1.3794  0.4971 -0.3360
+ 1066TIP3    H2 4647   2.057   2.774   0.213 -3.6961 -0.2001 -0.0054
+ 1067TIP3   OH2 4648   0.636   0.619   6.727  0.0356  0.1382  0.1943
+ 1067TIP3    H1 4649   0.606   0.605   6.817  1.5155 -1.0606  0.5106
+ 1067TIP3    H2 4650   0.688   0.542   6.706  1.3650  1.3083 -0.9801
+ 1068TIP3   OH2 4651   1.711   3.465   0.618 -0.4589  0.1356 -0.0981
+ 1068TIP3    H1 4652   1.783   3.424   0.665  0.7711  0.9399 -1.2538
+ 1068TIP3    H2 4653   1.706   3.418   0.535  0.3420  1.6454 -1.0348
+ 1069TIP3   OH2 4654   0.698   3.356   4.811  0.0271 -0.0969 -0.6311
+ 1069TIP3    H1 4655   0.680   3.292   4.879  1.7482 -0.9488 -0.9652
+ 1069TIP3    H2 4656   0.631   3.340   4.745 -1.0408  0.0836  0.3826
+ 1070TIP3   OH2 4657   1.862   1.459   1.062  0.0469  0.3128 -0.0858
+ 1070TIP3    H1 4658   1.847   1.367   1.040 -0.1227 -0.2421  2.2785
+ 1070TIP3    H2 4659   1.950   1.461   1.098  0.2257  1.1755 -0.5483
+ 1071TIP3   OH2 4660   1.933   2.373   0.690  0.6592 -0.3054 -0.5566
+ 1071TIP3    H1 4661   2.006   2.431   0.669 -0.5364  0.9642 -1.3770
+ 1071TIP3    H2 4662   1.895   2.351   0.605 -1.9298  1.8083 -0.0400
+ 1072TIP3   OH2 4663   2.510   4.344   5.122 -0.3469 -0.3022 -0.0254
+ 1072TIP3    H1 4664   2.538   4.421   5.172 -0.1142 -0.8310  0.6674
+ 1072TIP3    H2 4665   2.434   4.311   5.170  0.8965 -1.8066  0.9728
+ 1073TIP3   OH2 4666   1.213   4.288   0.960  0.2559 -0.0381  0.2929
+ 1073TIP3    H1 4667   1.127   4.257   0.932  0.2176  1.7682 -1.7599
+ 1073TIP3    H2 4668   1.196   4.376   0.994  1.1714 -0.0143  0.6912
+ 1074TIP3   OH2 4669   3.480   4.702   2.376 -0.2933 -0.1068 -0.5847
+ 1074TIP3    H1 4670   3.534   4.661   2.309 -0.4252  0.3073 -0.9475
+ 1074TIP3    H2 4671   3.520   4.787   2.391 -0.2773 -0.1914 -0.1544
+ 1075TIP3   OH2 4672   0.380   3.475   1.990  0.2810 -0.3257  0.2777
+ 1075TIP3    H1 4673   0.344   3.436   2.071  0.6759 -0.7365  0.2576
+ 1075TIP3    H2 4674   0.377   3.404   1.926  0.8811 -0.2801  0.2000
+ 1076TIP3   OH2 4675   0.782   4.113   5.790  0.3323  0.9991  0.1139
+ 1076TIP3    H1 4676   0.730   4.035   5.768  0.6922  1.2493 -1.7860
+ 1076TIP3    H2 4677   0.871   4.079   5.800  0.0557  0.7842  1.9423
+ 1077TIP3   OH2 4678   6.669   3.663   1.414  0.1987 -0.5492  0.4909
+ 1077TIP3    H1 4679   6.627   3.590   1.369  1.5744 -1.2520  0.3213
+ 1077TIP3    H2 4680   6.709   3.715   1.344 -1.8295  1.0738  0.4943
+ 1078TIP3   OH2 4681   6.003   4.196   2.359 -0.6276  0.3759  0.3341
+ 1078TIP3    H1 4682   5.989   4.101   2.367  0.7468  0.1159 -0.1554
+ 1078TIP3    H2 4683   5.937   4.224   2.295 -0.7628 -0.3237  0.1556
+ 1079TIP3   OH2 4684   0.628   6.038   6.390  0.7039 -0.3498  0.3700
+ 1079TIP3    H1 4685   0.713   5.994   6.387  0.0878 -1.4979 -0.6116
+ 1079TIP3    H2 4686   0.633   6.105   6.322  1.2692  0.4275  1.1666
+ 1080TIP3   OH2 4687   0.196   1.696   0.599  1.0064 -0.1473 -0.6647
+ 1080TIP3    H1 4688   0.258   1.721   0.667  1.4298 -0.9716 -0.7430
+ 1080TIP3    H2 4689   0.204   1.601   0.592  0.2489 -0.1843 -1.1742
+ 1081TIP3   OH2 4690   2.715   1.140   6.201 -0.4278 -0.3100 -0.1655
+ 1081TIP3    H1 4691   2.776   1.171   6.269  0.8857 -0.1689 -1.3866
+ 1081TIP3    H2 4692   2.635   1.190   6.217 -0.5301 -1.0946  1.9780
+ 1082TIP3   OH2 4693   5.126   2.139   3.015 -0.5390 -0.2480  0.3509
+ 1082TIP3    H1 4694   5.129   2.059   2.962 -0.9939 -0.6820  0.9780
+ 1082TIP3    H2 4695   5.218   2.161   3.029 -0.4085 -0.7381  0.2837
+ 1083TIP3   OH2 4696   3.674   1.914   0.655  0.5077  0.4966 -0.1435
+ 1083TIP3    H1 4697   3.582   1.934   0.637  0.2006 -1.0280 -0.2931
+ 1083TIP3    H2 4698   3.697   1.844   0.594  1.8049  0.9187 -0.1711
+ 1084TIP3   OH2 4699   0.344   3.183   0.516 -0.4367  0.6984  0.0207
+ 1084TIP3    H1 4700   0.435   3.163   0.538 -0.2605 -0.7480 -1.8215
+ 1084TIP3    H2 4701   0.338   3.278   0.523  1.3032  0.8368 -0.1082
+ 1085TIP3   OH2 4702   1.721   2.335   5.091 -0.5174 -0.2299 -0.1627
+ 1085TIP3    H1 4703   1.787   2.269   5.111 -0.8827 -0.5067  0.1340
+ 1085TIP3    H2 4704   1.713   2.334   4.996 -0.4737 -0.5632 -0.1616
+ 1086TIP3   OH2 4705   3.151   4.065   0.433 -0.5596 -0.4995 -0.2415
+ 1086TIP3    H1 4706   3.186   3.998   0.374 -0.7517 -2.0679  1.4086
+ 1086TIP3    H2 4707   3.057   4.068   0.414 -0.4230 -0.1056 -0.8787
+ 1087TIP3   OH2 4708   6.377   3.806   3.084  0.6486 -0.4362  0.1777
+ 1087TIP3    H1 4709   6.292   3.804   3.128  0.1639  0.4855 -0.6912
+ 1087TIP3    H2 4710   6.408   3.896   3.094  1.3520 -0.6756  0.1800
+ 1088TIP3   OH2 4711   0.295   4.142   6.078 -0.8122 -0.1388  0.2950
+ 1088TIP3    H1 4712   0.247   4.073   6.123  0.3550 -0.7243  0.6555
+ 1088TIP3    H2 4713   0.383   4.137   6.114 -0.8144  1.8069  0.6173
+ 1089TIP3   OH2 4714   1.477   2.019   1.281  0.0055 -0.1018  0.9524
+ 1089TIP3    H1 4715   1.469   2.082   1.353  0.0203  1.7849 -0.6621
+ 1089TIP3    H2 4716   1.509   2.071   1.207 -1.6727 -1.6515 -0.9091
+ 1090TIP3   OH2 4717   2.641   4.305   1.357 -0.0430 -0.1334 -0.0701
+ 1090TIP3    H1 4718   2.616   4.372   1.293 -1.3859 -0.3102  0.2553
+ 1090TIP3    H2 4719   2.619   4.222   1.314  1.1945 -0.3582 -0.2902
+ 1091TIP3   OH2 4720   0.389   1.829   3.666  0.2428  0.7043 -0.0156
+ 1091TIP3    H1 4721   0.370   1.828   3.572 -3.3422  0.0314  0.6352
+ 1091TIP3    H2 4722   0.370   1.919   3.693  0.4771  0.6919  0.1842
+ 1092TIP3   OH2 4723   6.745   0.731   5.176  0.4329  1.0679 -0.1571
+ 1092TIP3    H1 4724   6.807   0.721   5.104  2.4429 -3.2159  2.0103
+ 1092TIP3    H2 4725   6.798   0.763   5.250  0.1551 -2.5264  1.6852
+ 1093TIP3   OH2 4726   5.659   2.783   1.345  0.1202  0.1391 -0.1371
+ 1093TIP3    H1 4727   5.616   2.730   1.278 -0.5385  0.5312 -0.0306
+ 1093TIP3    H2 4728   5.694   2.857   1.297  0.0094  0.2075 -0.1137
+ 1094TIP3   OH2 4729   6.804   2.276   2.924  0.3059 -0.2008 -0.4407
+ 1094TIP3    H1 4730   6.891   2.316   2.928 -0.1155  0.6473  0.3411
+ 1094TIP3    H2 4731   6.781   2.259   3.016  0.4118 -2.1247 -0.7343
+ 1095TIP3   OH2 4732   1.044   1.147   6.338 -0.5140 -0.0916 -0.4410
+ 1095TIP3    H1 4733   1.082   1.234   6.329  0.7297 -0.6943 -1.1219
+ 1095TIP3    H2 4734   1.010   1.145   6.428  0.4958  0.6957 -0.0267
+ 1096TIP3   OH2 4735   0.452   2.753   2.029 -0.0946 -0.1417 -0.0838
+ 1096TIP3    H1 4736   0.388   2.738   2.099  0.4842  1.2532  0.7713
+ 1096TIP3    H2 4737   0.408   2.811   1.968  0.1605  0.3970  0.2396
+ 1097TIP3   OH2 4738   1.311   2.463   0.857  0.0870 -0.2756  0.2954
+ 1097TIP3    H1 4739   1.326   2.396   0.790 -0.4723  0.2903 -0.4060
+ 1097TIP3    H2 4740   1.313   2.415   0.940  0.1698 -1.0825 -0.1648
+ 1098TIP3   OH2 4741   5.652   3.901   2.349 -0.3839  0.1052 -0.3103
+ 1098TIP3    H1 4742   5.585   3.863   2.406 -0.8404  1.7915  0.2842
+ 1098TIP3    H2 4743   5.627   3.992   2.339 -0.0252 -0.0298 -2.8073
+ 1099TIP3   OH2 4744   0.405   2.637   2.805 -0.6466 -0.1876 -0.1650
+ 1099TIP3    H1 4745   0.407   2.728   2.833 -1.6332  0.2865 -1.5317
+ 1099TIP3    H2 4746   0.320   2.628   2.761 -0.1413 -1.4947 -0.8941
+ 1100TIP3   OH2 4747   0.776   2.675   2.382  0.0454 -0.5053  0.3037
+ 1100TIP3    H1 4748   0.793   2.769   2.384  0.5694 -0.5799 -0.5201
+ 1100TIP3    H2 4749   0.690   2.666   2.423  0.1374  0.2924  0.6959
+ 1101TIP3   OH2 4750   6.794   1.729   3.916 -0.1323 -0.2395  0.3845
+ 1101TIP3    H1 4751   6.760   1.668   3.850 -0.5907  0.7640 -0.3143
+ 1101TIP3    H2 4752   6.716   1.763   3.959  0.0465  1.0061 -0.2646
+ 1102TIP3   OH2 4753   1.402   4.203   1.562  0.9279 -0.8708 -0.3336
+ 1102TIP3    H1 4754   1.493   4.188   1.586  0.5827 -0.8152  1.0690
+ 1102TIP3    H2 4755   1.397   4.179   1.470  2.5366 -0.1065 -0.6365
+ 1103TIP3   OH2 4756   0.361   1.281   1.234  0.3681 -0.3792 -0.2229
+ 1103TIP3    H1 4757   0.331   1.224   1.305  0.1238  0.7727  0.5924
+ 1103TIP3    H2 4758   0.445   1.243   1.208  0.4649 -0.8005  0.6747
+ 1104TIP3   OH2 4759   6.725   2.494   4.508 -0.2875 -0.0901  0.3070
+ 1104TIP3    H1 4760   6.719   2.440   4.430 -3.7376 -0.5196  0.7917
+ 1104TIP3    H2 4761   6.762   2.437   4.575 -2.5972 -1.4651  0.4446
+ 1105TIP3   OH2 4762   0.402   3.012   0.873  0.5785 -0.3038 -0.3987
+ 1105TIP3    H1 4763   0.454   2.962   0.935 -2.1157 -1.7214  0.8311
+ 1105TIP3    H2 4764   0.409   2.963   0.791 -0.9068 -2.0102  0.4433
+ 1106TIP3   OH2 4765   0.820   4.314   5.599  0.0173 -0.4556 -0.0742
+ 1106TIP3    H1 4766   0.764   4.291   5.673  0.6842 -3.5525 -0.4760
+ 1106TIP3    H2 4767   0.758   4.333   5.528 -0.5720  0.3176  0.6276
+ 1107TIP3   OH2 4768   0.903   3.246   1.045 -0.3969 -0.4386  0.1278
+ 1107TIP3    H1 4769   0.837   3.315   1.034  1.5488  1.4000 -0.3076
+ 1107TIP3    H2 4770   0.885   3.210   1.132 -1.8094  0.2175  0.1249
+ 1108TIP3   OH2 4771   2.000   4.807   1.438  0.4535 -0.4037 -0.5120
+ 1108TIP3    H1 4772   1.964   4.739   1.382  1.7912 -0.8076 -0.8902
+ 1108TIP3    H2 4773   1.954   4.887   1.411  0.3523 -0.7832 -1.4662
+ 1109TIP3   OH2 4774   1.806   4.883   1.026 -0.0693  0.4098 -0.3680
+ 1109TIP3    H1 4775   1.851   4.799   1.025  1.1998  1.0797 -0.2109
+ 1109TIP3    H2 4776   1.802   4.909   0.934  0.0778  0.4610 -0.3599
+ 1110TIP3   OH2 4777   2.095   3.822   1.239  0.1749  0.8284  0.5316
+ 1110TIP3    H1 4778   2.049   3.831   1.323 -0.1574 -1.1932  0.5882
+ 1110TIP3    H2 4779   2.167   3.762   1.258  2.8520  3.8720  0.4205
+ 1111TIP3   OH2 4780   3.774   1.585   5.724 -0.2423  0.4946 -0.5110
+ 1111TIP3    H1 4781   3.805   1.615   5.638 -0.3806  1.5369 -0.2032
+ 1111TIP3    H2 4782   3.848   1.537   5.761  0.1459  0.8537 -0.8205
+ 1112TIP3   OH2 4783   2.085   3.357   1.111  0.3077 -0.4705  0.7530
+ 1112TIP3    H1 4784   2.129   3.378   1.029  1.1239 -3.1911  0.4385
+ 1112TIP3    H2 4785   1.993   3.377   1.095  0.4839 -0.8184 -0.7680
+ 1113TIP3   OH2 4786   2.980   4.437   1.573  0.0014 -0.3082  0.1948
+ 1113TIP3    H1 4787   2.950   4.354   1.536  1.1204 -0.3076 -0.7646
+ 1113TIP3    H2 4788   2.904   4.472   1.620 -0.7554 -1.4251 -0.1819
+ 1114TIP3   OH2 4789   1.803   3.083   0.870  0.1491  0.0506  0.4077
+ 1114TIP3    H1 4790   1.874   3.070   0.933 -0.7009 -0.1263  1.3329
+ 1114TIP3    H2 4791   1.734   3.125   0.920 -0.3308  0.4065 -0.5442
+ 1115TIP3   OH2 4792   1.542   4.122   6.574  0.8337 -0.2026 -0.0370
+ 1115TIP3    H1 4793   1.446   4.123   6.574  0.8244  0.1949  1.1779
+ 1115TIP3    H2 4794   1.566   4.194   6.516  0.4039 -0.5813 -0.6992
+ 1116TIP3   OH2 4795   1.598   4.607   1.648 -0.0300 -0.7084 -0.0266
+ 1116TIP3    H1 4796   1.624   4.653   1.568  0.5017 -0.3034  0.3828
+ 1116TIP3    H2 4797   1.502   4.604   1.644  0.0291 -1.4400 -1.1000
+ 1117TIP3   OH2 4798   2.713   3.207   2.218  0.2310 -0.4672  0.8652
+ 1117TIP3    H1 4799   2.617   3.210   2.210  0.3656  2.3723 -0.7723
+ 1117TIP3    H2 4800   2.730   3.220   2.311 -0.9871 -0.3953  1.0874
+ 1118TIP3   OH2 4801   2.547   5.042   5.024  0.2974  0.1164 -0.0335
+ 1118TIP3    H1 4802   2.583   5.062   5.110 -0.8222  1.9698  0.0414
+ 1118TIP3    H2 4803   2.461   5.005   5.042 -0.9543  2.7314 -0.3638
+ 1119TIP3   OH2 4804   3.276   1.925   1.919 -0.0888 -0.6040  0.5092
+ 1119TIP3    H1 4805   3.328   2.002   1.898  0.4118 -0.9749  0.3563
+ 1119TIP3    H2 4806   3.250   1.936   2.010 -0.5199  0.0275  0.3102
+ 1120TIP3   OH2 4807   1.907   1.748   5.955  0.6012  0.5008 -0.3609
+ 1120TIP3    H1 4808   1.999   1.723   5.945  0.0692 -1.6285 -0.1350
+ 1120TIP3    H2 4809   1.872   1.686   6.019 -1.7401 -0.6645 -2.6763
+ 1121TIP3   OH2 4810   6.184   4.172   5.187  0.2804 -0.2691  0.4380
+ 1121TIP3    H1 4811   6.238   4.244   5.157  0.5012 -0.4758  0.3346
+ 1121TIP3    H2 4812   6.100   4.184   5.142 -0.1068  0.6285  1.3791
+ 1122TIP3   OH2 4813   6.306   2.515   0.275  0.0904  0.6062 -0.3462
+ 1122TIP3    H1 4814   6.270   2.491   0.360  2.1081 -0.2857  0.2819
+ 1122TIP3    H2 4815   6.264   2.599   0.254 -0.5302  0.7652  1.4505
+ 1123TIP3   OH2 4816   1.124   1.079   1.957  0.5528 -0.0036 -0.1587
+ 1123TIP3    H1 4817   1.188   1.074   2.028  0.1004 -2.0233  0.1352
+ 1123TIP3    H2 4818   1.141   1.002   1.903 -2.3251 -1.2100  0.5626
+ 1124TIP3   OH2 4819   0.411   3.461   1.018 -0.0157 -0.5579 -0.5756
+ 1124TIP3    H1 4820   0.405   3.551   0.985  0.5003 -0.6445 -0.9133
+ 1124TIP3    H2 4821   0.325   3.444   1.056  0.1022  0.3258  0.1232
+ 1125TIP3   OH2 4822   6.558   1.865   0.614 -0.1385 -0.0764 -0.1624
+ 1125TIP3    H1 4823   6.513   1.949   0.624 -2.5690 -1.4635  0.7673
+ 1125TIP3    H2 4824   6.646   1.881   0.649 -0.6657  2.0145  0.2555
+ 1126TIP3   OH2 4825   1.870   0.575   1.571 -0.2509 -0.2921  0.1814
+ 1126TIP3    H1 4826   1.942   0.564   1.510 -0.2575  0.1814  0.0830
+ 1126TIP3    H2 4827   1.799   0.613   1.518 -0.2426  0.1631  0.4901
+ 1127TIP3   OH2 4828   0.537   1.014   1.571  0.4094  1.1472  0.5132
+ 1127TIP3    H1 4829   0.613   1.071   1.566  0.7647  0.6679  0.3586
+ 1127TIP3    H2 4830   0.530   0.975   1.484 -0.3004  1.5568  0.3856
+ 1128TIP3   OH2 4831   1.496   2.496   1.562 -0.1984  0.4640 -0.4246
+ 1128TIP3    H1 4832   1.463   2.584   1.579 -0.4069  0.0840  1.2086
+ 1128TIP3    H2 4833   1.577   2.491   1.612  0.0505 -0.1254 -0.8846
+ 1129TIP3   OH2 4834   1.906   2.078   1.094  0.2479 -0.2164  0.3796
+ 1129TIP3    H1 4835   1.953   2.124   1.024 -0.0518 -0.5106 -0.0187
+ 1129TIP3    H2 4836   1.956   1.997   1.107  0.2843 -0.1772  0.4829
+ 1130TIP3   OH2 4837   1.657   2.824   6.741  0.0513  0.7916  0.2909
+ 1130TIP3    H1 4838   1.700   2.744   6.711  0.9952  1.7667 -1.0093
+ 1130TIP3    H2 4839   1.565   2.812   6.719  0.3578  0.4995 -0.8386
+ 1131TIP3   OH2 4840   2.063   1.510   5.165  0.4141  0.5460 -0.1591
+ 1131TIP3    H1 4841   1.970   1.508   5.188  0.5205 -1.7234  0.1855
+ 1131TIP3    H2 4842   2.076   1.596   5.126 -1.6399  1.2323  0.5915
+ 1132TIP3   OH2 4843   0.865   0.817   6.744 -0.1535  0.4055  0.2183
+ 1132TIP3    H1 4844   0.802   0.772   6.688  0.5212  0.9159 -0.9632
+ 1132TIP3    H2 4845   0.915   0.747   6.785 -0.1376  0.0417 -0.4149
+ 1133TIP3   OH2 4846   1.612   6.813   1.572  0.3652  0.2845 -0.1099
+ 1133TIP3    H1 4847   1.571   6.887   1.615  0.1262  1.2141 -1.8736
+ 1133TIP3    H2 4848   1.702   6.813   1.603  0.0475  0.5874  0.8103
+ 1134TIP3   OH2 4849   1.328   3.867   1.019 -0.2578 -0.1893 -0.6779
+ 1134TIP3    H1 4850   1.257   3.891   0.959 -1.2558  0.3630  0.7009
+ 1134TIP3    H2 4851   1.283   3.833   1.096  1.0145 -0.6682 -0.1454
+ 1135TIP3   OH2 4852   5.775   3.111   1.454  0.2453  0.8156 -0.0641
+ 1135TIP3    H1 4853   5.847   3.132   1.515  0.3415 -0.6054  0.3412
+ 1135TIP3    H2 4854   5.818   3.063   1.383 -0.6357 -2.3173  1.4360
+ 1136TIP3   OH2 4855   1.005   5.869   1.068 -0.6436 -0.2932  0.1037
+ 1136TIP3    H1 4856   0.998   5.873   0.973  0.6912  0.4489  0.0241
+ 1136TIP3    H2 4857   0.946   5.938   1.099 -4.1828 -3.1173  0.0129
+ 1137TIP3   OH2 4858   0.857   3.016   1.567  0.5422  0.3121  0.3865
+ 1137TIP3    H1 4859   0.929   3.044   1.624  0.7244  2.8665 -1.0134
+ 1137TIP3    H2 4860   0.819   2.940   1.612  1.8715  1.0799  2.9227
+ 1138TIP3   OH2 4861   2.693   4.847   3.689  0.2070 -0.5682 -0.2213
+ 1138TIP3    H1 4862   2.722   4.887   3.771  2.1959  1.8378 -2.0199
+ 1138TIP3    H2 4863   2.647   4.767   3.716 -1.2496  1.3474  3.3412
+ 1139TIP3   OH2 4864   3.014   0.941   1.396  0.0110 -0.3777  0.5378
+ 1139TIP3    H1 4865   3.076   1.011   1.374  2.1809 -1.9078  1.7043
+ 1139TIP3    H2 4866   2.997   0.897   1.312 -1.9148  1.8922 -0.3462
+ 1140TIP3   OH2 4867   1.128   3.152   1.280  0.1950 -0.2922 -0.2220
+ 1140TIP3    H1 4868   1.152   3.227   1.225 -1.5519  0.6104  0.2134
+ 1140TIP3    H2 4869   1.188   3.157   1.354 -1.1546  1.8356  0.7709
+ 1141TIP3   OH2 4870   2.350   4.753   1.380  0.3288  0.0673 -0.2135
+ 1141TIP3    H1 4871   2.262   4.769   1.414  1.1390  0.1529  1.8737
+ 1141TIP3    H2 4872   2.344   4.776   1.287 -1.5191  1.3119  0.1908
+ 1142TIP3   OH2 4873   2.659   4.188   0.242  0.4364 -0.6590 -0.3479
+ 1142TIP3    H1 4874   2.749   4.213   0.264  0.3329 -1.0221  0.5270
+ 1142TIP3    H2 4875   2.666   4.098   0.209  0.4872 -0.4161 -1.0003
+ 1143TIP3   OH2 4876   3.010   5.925   0.047 -0.4755  0.2363 -0.4825
+ 1143TIP3    H1 4877   2.938   5.893   0.102  0.0822  0.5209  0.4187
+ 1143TIP3    H2 4878   2.979   5.911  -0.043 -2.1320  1.4282 -0.1188
+ 1144TIP3   OH2 4879   3.454   4.135   0.710 -0.2014  0.3143  0.2848
+ 1144TIP3    H1 4880   3.449   4.187   0.630  0.8405 -2.3018 -1.5652
+ 1144TIP3    H2 4881   3.539   4.156   0.748  0.4491 -0.4094 -0.7446
+ 1145TIP3   OH2 4882   1.974   3.373   0.650  0.3203  0.7060 -0.0737
+ 1145TIP3    H1 4883   2.049   3.398   0.597 -0.0343 -1.0625 -1.4442
+ 1145TIP3    H2 4884   1.942   3.292   0.610 -1.6078  0.8120  1.1909
+ 1146TIP3   OH2 4885   6.826   3.065   0.996 -0.5660 -0.1649  0.2768
+ 1146TIP3    H1 4886   6.881   2.990   0.974 -0.6301 -0.1850  0.1848
+ 1146TIP3    H2 4887   6.840   3.078   1.090  0.4404  0.5172  0.0433
+ 1147TIP3   OH2 4888   5.236   3.029   0.981  0.0902  0.1371 -0.4064
+ 1147TIP3    H1 4889   5.250   3.123   0.993 -0.4042  0.1275  0.2945
+ 1147TIP3    H2 4890   5.303   3.003   0.918  1.1043  0.7100  0.4014
+ 1148TIP3   OH2 4891   2.966   1.602   6.549 -0.7700  0.3671 -0.2770
+ 1148TIP3    H1 4892   2.951   1.645   6.465  0.1455 -0.4623 -0.8660
+ 1148TIP3    H2 4893   2.878   1.596   6.588 -1.4310 -0.7264 -1.8902
+ 1149TIP3   OH2 4894   2.348   1.976   1.701  0.0793 -0.2533  0.4189
+ 1149TIP3    H1 4895   2.436   1.953   1.671  0.1173 -0.5377  0.7432
+ 1149TIP3    H2 4896   2.349   2.071   1.711 -0.4181  0.0521 -2.0508
+ 1150TIP3   OH2 4897   3.155   2.383   1.544  0.0699  0.3869  0.3913
+ 1150TIP3    H1 4898   3.217   2.426   1.485 -0.7782 -0.1521 -0.9197
+ 1150TIP3    H2 4899   3.080   2.442   1.546 -0.5431 -0.3604 -0.3366
+ 1151TIP3   OH2 4900   0.862   2.032   0.897  0.1481  0.4469 -0.0547
+ 1151TIP3    H1 4901   0.818   2.116   0.911 -0.2928  0.1833  0.1625
+ 1151TIP3    H2 4902   0.907   2.015   0.980  0.0394  0.3530 -0.0148
+ 1152TIP3   OH2 4903   1.059   2.119   6.846  0.0241  0.2470 -0.2252
+ 1152TIP3    H1 4904   1.002   2.169   6.906  2.6072  0.2367  2.3491
+ 1152TIP3    H2 4905   1.055   2.029   6.879  0.2158 -0.0755 -1.0768
+ 1153TIP3   OH2 4906   0.652   3.641   0.003  0.3649 -0.1656  0.2950
+ 1153TIP3    H1 4907   0.577   3.594   0.041  0.2817  0.3492  0.7668
+ 1153TIP3    H2 4908   0.710   3.571  -0.029 -0.5728 -0.5668 -0.5717
+ 1154TIP3   OH2 4909   2.598   2.008   5.579 -0.2134  0.3764 -1.0276
+ 1154TIP3    H1 4910   2.595   1.964   5.664 -1.5390  2.9401  0.2953
+ 1154TIP3    H2 4911   2.578   1.938   5.516 -0.2055 -1.3574  0.8249
+ 1155TIP3   OH2 4912   1.801   3.811   1.126  0.4780  0.2236  0.1325
+ 1155TIP3    H1 4913   1.836   3.749   1.191 -1.2576 -0.8706  0.0476
+ 1155TIP3    H2 4914   1.878   3.858   1.095  1.8900 -2.0474  0.0415
+ 1156TIP3   OH2 4915   0.617   4.542   6.065 -0.0554 -0.2634  0.0867
+ 1156TIP3    H1 4916   0.623   4.454   6.028  0.9733  0.3365 -1.2168
+ 1156TIP3    H2 4917   0.528   4.571   6.047  0.0934 -0.4240 -0.9135
+ 1157TIP3   OH2 4918   1.139   1.867   4.323  0.1567  0.6386  0.4347
+ 1157TIP3    H1 4919   1.172   1.944   4.276  2.0498 -0.1385  0.4546
+ 1157TIP3    H2 4920   1.162   1.883   4.414 -0.2815  0.4843  0.5705
+ 1158TIP3   OH2 4921   6.804   4.501   5.913  0.3072 -0.0912 -0.5512
+ 1158TIP3    H1 4922   6.805   4.473   5.822  0.3624 -0.6675 -0.3727
+ 1158TIP3    H2 4923   6.711   4.504   5.936  0.2723  0.4801 -0.7563
+ 1159TIP3   OH2 4924   2.770   4.749   0.754 -0.2115 -0.1645 -0.1622
+ 1159TIP3    H1 4925   2.768   4.821   0.691 -0.1770  1.0325  1.1709
+ 1159TIP3    H2 4926   2.859   4.713   0.746  0.2249  0.8342  0.1431
+ 1160TIP3   OH2 4927   0.360   6.323   6.853 -0.3033 -0.0699 -0.2211
+ 1160TIP3    H1 4928   0.368   6.291   6.763 -0.7375  0.2804 -0.3861
+ 1160TIP3    H2 4929   0.348   6.418   6.843  0.7367  0.1188  0.2498
+ 1161TIP3   OH2 4930   1.579   3.613   1.399 -0.2288  0.1364  0.1419
+ 1161TIP3    H1 4931   1.661   3.610   1.448  1.3755  0.2392 -2.4365
+ 1161TIP3    H2 4932   1.584   3.539   1.339 -2.0298  0.1562 -0.0572
+ 1162TIP3   OH2 4933   0.568   2.626   4.292 -0.0190 -0.0910 -0.0949
+ 1162TIP3    H1 4934   0.534   2.628   4.202 -1.2515  0.1497  0.3717
+ 1162TIP3    H2 4935   0.491   2.633   4.347  0.7587  0.0164  0.9942
+ 1163TIP3   OH2 4936   4.673   2.258   6.148  0.2833 -0.8351  0.2460
+ 1163TIP3    H1 4937   4.682   2.220   6.235  2.5411 -1.0351 -0.0332
+ 1163TIP3    H2 4938   4.703   2.348   6.157  2.1094 -1.3155 -0.6141
+ 1164TIP3   OH2 4939   1.085   3.421   2.016 -0.6874 -0.2235  0.5686
+ 1164TIP3    H1 4940   1.140   3.466   1.952 -0.7907  0.4152  0.9179
+ 1164TIP3    H2 4941   1.062   3.338   1.975 -3.2707  1.4431 -1.4789
+ 1165TIP3   OH2 4942   1.913   5.092   2.906 -0.2941 -0.1371 -0.2951
+ 1165TIP3    H1 4943   1.892   5.039   2.983 -0.6369 -1.1999 -1.1154
+ 1165TIP3    H2 4944   1.829   5.123   2.874 -0.0017  2.0226  0.9541
+ 1166TIP3   OH2 4945   3.943   3.667   6.664 -0.9800 -0.5617 -0.0088
+ 1166TIP3    H1 4946   4.015   3.663   6.600 -1.8166 -1.5661 -0.9129
+ 1166TIP3    H2 4947   3.895   3.746   6.641  0.2823  0.5401  1.0963
+ 1167TIP3   OH2 4948   1.974   4.317   0.159  0.1900 -0.2391  0.4979
+ 1167TIP3    H1 4949   1.914   4.273   0.218 -0.6409  0.3637  0.1029
+ 1167TIP3    H2 4950   1.936   4.304   0.072 -0.3477  1.7041  0.4253
+ 1168TIP3   OH2 4951   2.535   4.903   5.476  0.0193 -0.7280 -0.0670
+ 1168TIP3    H1 4952   2.538   4.960   5.399 -0.6913 -0.3373  0.1876
+ 1168TIP3    H2 4953   2.544   4.815   5.440  2.5969 -0.3949 -0.3381
+ 1169TIP3   OH2 4954   5.035   2.303   0.934 -0.4253  0.4360  0.3408
+ 1169TIP3    H1 4955   4.994   2.216   0.928  0.6736 -0.0014 -1.3409
+ 1169TIP3    H2 4956   5.000   2.351   0.859  0.0776  0.9618  0.4403
+ 1170TIP3   OH2 4957   3.110   1.186   5.930  0.2524  0.2007  0.3914
+ 1170TIP3    H1 4958   3.159   1.110   5.901  0.0334  0.0588  0.3958
+ 1170TIP3    H2 4959   3.020   1.156   5.936  0.2118  0.3765  0.6902
+ 1171TIP3   OH2 4960   1.585   2.216   0.832 -0.5477  0.0350  0.0291
+ 1171TIP3    H1 4961   1.559   2.184   0.919 -0.3126 -0.4576 -0.0845
+ 1171TIP3    H2 4962   1.636   2.145   0.794 -1.4953 -0.1498 -0.9159
+ 1172TIP3   OH2 4963   2.196   4.427   2.471 -0.0139  0.1780  0.0208
+ 1172TIP3    H1 4964   2.187   4.462   2.560 -1.1067 -1.7340  0.7003
+ 1172TIP3    H2 4965   2.119   4.459   2.424  0.4897  1.0701 -0.2050
+ 1173TIP3   OH2 4966   2.740   4.358   5.471 -0.0909 -0.2154  0.0882
+ 1173TIP3    H1 4967   2.732   4.322   5.383  3.0413  1.2355 -0.8504
+ 1173TIP3    H2 4968   2.813   4.311   5.510  1.3733  2.1411  0.3123
+ 1174TIP3   OH2 4969   2.106   2.624   0.629  0.3999 -0.5950 -0.2606
+ 1174TIP3    H1 4970   2.172   2.693   0.630  0.1825 -0.3780  1.2904
+ 1174TIP3    H2 4971   2.030   2.664   0.672  0.4663 -1.9655  1.1827
+ 1175TIP3   OH2 4972   5.079   0.750   2.192  0.1127 -0.0407  0.0193
+ 1175TIP3    H1 4973   5.144   0.810   2.155  0.1798 -0.8013 -1.1391
+ 1175TIP3    H2 4974   5.112   0.730   2.280  1.3212 -0.2325 -0.4666
+ 1176TIP3   OH2 4975   3.043   3.232   6.768  0.8358 -0.0607 -0.3959
+ 1176TIP3    H1 4976   3.133   3.209   6.790 -0.2110 -2.2582  1.7459
+ 1176TIP3    H2 4977   3.043   3.241   6.672  3.5753  1.2095 -0.3065
+ 1177TIP3   OH2 4978   3.449   3.522   1.426 -0.0393  1.1217  0.1948
+ 1177TIP3    H1 4979   3.454   3.521   1.522  0.3544 -1.0798  0.1780
+ 1177TIP3    H2 4980   3.540   3.524   1.398  0.0068 -2.4149 -0.1038
+ 1178TIP3   OH2 4981   0.866   3.444   6.537 -0.5909 -0.1819  0.0930
+ 1178TIP3    H1 4982   0.884   3.350   6.530 -4.1206 -0.8528 -0.7030
+ 1178TIP3    H2 4983   0.843   3.458   6.629  0.9002  0.1204  0.4349
+ 1179TIP3   OH2 4984   1.608   3.174   1.013 -0.1336  0.0787  0.0196
+ 1179TIP3    H1 4985   1.550   3.206   0.944 -0.5319 -1.8665 -0.5616
+ 1179TIP3    H2 4986   1.568   3.093   1.044  0.4970  0.4703  1.9596
+ 1180TIP3   OH2 4987   1.272   1.240   4.497  0.1742 -0.5324  0.1372
+ 1180TIP3    H1 4988   1.253   1.315   4.440  0.5125 -1.1334 -0.7740
+ 1180TIP3    H2 4989   1.280   1.278   4.585  2.0414  0.7388 -0.5619
+ 1181TIP3   OH2 4990   4.726   1.238   2.556  0.4884  0.2986 -0.3487
+ 1181TIP3    H1 4991   4.634   1.238   2.532  0.4009  0.5651 -0.0289
+ 1181TIP3    H2 4992   4.733   1.308   2.621  0.8324 -0.0056 -0.0581
+ 1182TIP3   OH2 4993   2.092   1.995   0.168 -0.3582  0.7938  0.9798
+ 1182TIP3    H1 4994   2.164   2.056   0.182  0.8743 -0.7552  1.5521
+ 1182TIP3    H2 4995   2.134   1.911   0.148 -2.0086  0.0919  0.2858
+ 1183TIP3   OH2 4996   1.335   2.875   1.773 -1.0507  0.2075 -0.0226
+ 1183TIP3    H1 4997   1.311   2.875   1.866 -2.0971  0.7829 -0.2938
+ 1183TIP3    H2 4998   1.390   2.953   1.763 -0.1036 -0.4040  0.3185
+ 1184TIP3   OH2 4999   4.607   4.716   0.605  0.1988  0.0892 -0.1026
+ 1184TIP3    H1 5000   4.646   4.787   0.554  1.0424 -0.5548 -0.3603
+ 1184TIP3    H2 5001   4.661   4.640   0.586 -0.3282 -0.4857  0.6597
+ 1185TIP3   OH2 5002   3.769   1.151   1.354 -0.0105 -0.3488 -0.1697
+ 1185TIP3    H1 5003   3.849   1.165   1.303  0.8316  0.0573  1.2339
+ 1185TIP3    H2 5004   3.797   1.161   1.445 -2.3229  3.1151  0.2265
+ 1186TIP3   OH2 5005   2.759   0.352   0.543 -0.2201  0.2135 -0.0399
+ 1186TIP3    H1 5006   2.712   0.330   0.624 -0.4674 -1.0875 -0.5202
+ 1186TIP3    H2 5007   2.805   0.272   0.519 -0.0977  0.6023 -1.1522
+ 1187TIP3   OH2 5008   3.150   3.285   0.661 -0.2405  0.2143  0.5091
+ 1187TIP3    H1 5009   3.107   3.359   0.705 -2.5824 -0.8842  0.1605
+ 1187TIP3    H2 5010   3.084   3.254   0.599  1.0882 -1.5530 -0.0319
+ 1188TIP3   OH2 5011   1.923   2.302   6.528  0.6455 -0.2380 -0.1541
+ 1188TIP3    H1 5012   1.967   2.314   6.444 -0.8776  1.1157 -0.7884
+ 1188TIP3    H2 5013   1.992   2.311   6.593  1.1887  2.9473 -1.0646
+ 1189TIP3   OH2 5014   3.408   1.478   2.441 -0.0217  0.5323 -0.3139
+ 1189TIP3    H1 5015   3.314   1.460   2.438 -0.2463  1.5816  0.0893
+ 1189TIP3    H2 5016   3.427   1.520   2.357  0.5160 -1.5781 -1.2875
+ 1190TIP3   OH2 5017   3.993   2.285   0.636 -0.1707 -0.4487 -0.0234
+ 1190TIP3    H1 5018   3.946   2.262   0.556  0.0995 -0.1824 -0.2614
+ 1190TIP3    H2 5019   4.083   2.257   0.620 -0.4862 -2.0344  0.8926
+ 1191TIP3   OH2 5020   3.287   2.761   0.667 -0.3598 -0.1711  0.2538
+ 1191TIP3    H1 5021   3.361   2.708   0.697 -0.1417 -0.5608 -0.9705
+ 1191TIP3    H2 5022   3.246   2.792   0.748  0.7945 -0.4246  0.9449
+ 1192TIP3   OH2 5023   2.978   2.885   6.076  0.0886  0.0256 -0.4804
+ 1192TIP3    H1 5024   2.934   2.804   6.048 -0.5794  0.4274 -0.5922
+ 1192TIP3    H2 5025   3.068   2.874   6.045 -0.2692 -0.1999 -1.4658
+ 1193TIP3   OH2 5026   4.225   2.053   1.636 -0.5869  0.4801 -0.0235
+ 1193TIP3    H1 5027   4.280   2.052   1.715  0.8266  0.3220 -0.9888
+ 1193TIP3    H2 5028   4.260   2.125   1.584  1.0686 -1.8857 -2.2834
+ 1194TIP3   OH2 5029   3.130   1.272   3.019 -0.0695  0.5669  0.3376
+ 1194TIP3    H1 5030   3.158   1.314   2.938  0.2802  0.1707  0.2483
+ 1194TIP3    H2 5031   3.100   1.344   3.075  1.5858  1.0726  0.6168
+ 1195TIP3   OH2 5032   3.245   4.482   1.106 -0.1917 -1.0574  0.1701
+ 1195TIP3    H1 5033   3.313   4.516   1.165 -0.5271 -3.4395  1.9827
+ 1195TIP3    H2 5034   3.209   4.560   1.064  0.5550  0.6299  2.5604
+ 1196TIP3   OH2 5035   4.885   1.318   0.765  0.4487  0.0046 -0.0684
+ 1196TIP3    H1 5036   4.895   1.395   0.709  3.0137 -1.7724 -2.1794
+ 1196TIP3    H2 5037   4.863   1.247   0.704  0.6630 -1.4237  1.4908
+ 1197TIP3   OH2 5038   3.788   5.689   3.480 -0.3246 -0.6360 -0.0087
+ 1197TIP3    H1 5039   3.881   5.689   3.503 -0.4083 -0.0272  0.3420
+ 1197TIP3    H2 5040   3.769   5.781   3.460 -1.0019 -0.6491  0.5633
+ 1198TIP3   OH2 5041   3.974   4.045   0.898 -0.3691 -0.4247  0.3978
+ 1198TIP3    H1 5042   3.999   3.963   0.854  2.0323  0.5303 -0.0621
+ 1198TIP3    H2 5043   3.939   4.016   0.982 -2.2481 -2.0994 -0.9034
+ 1199TIP3   OH2 5044   5.979   0.301   0.361  0.5343 -0.1871 -0.3526
+ 1199TIP3    H1 5045   5.976   0.369   0.294  0.9408 -1.5660 -1.7962
+ 1199TIP3    H2 5046   5.908   0.242   0.338 -0.7890  0.5037  1.7628
+ 1200TIP3   OH2 5047   4.661   2.066   6.623  0.4472 -0.3134 -0.0108
+ 1200TIP3    H1 5048   4.592   2.001   6.633  0.3300  0.1086  2.0310
+ 1200TIP3    H2 5049   4.617   2.150   6.637  0.9812  0.0971 -0.7250
+ 1201TIP3   OH2 5050   2.192   3.059   1.886 -0.0995 -0.5389 -0.3518
+ 1201TIP3    H1 5051   2.246   3.029   1.959 -0.8388 -0.6973  0.1296
+ 1201TIP3    H2 5052   2.127   3.116   1.926 -0.0578 -0.0427 -0.9851
+ 1202TIP3   OH2 5053   2.388   1.903   0.447  0.7865  0.3166 -0.6816
+ 1202TIP3    H1 5054   2.476   1.941   0.456  0.3036  1.8120 -1.9902
+ 1202TIP3    H2 5055   2.341   1.965   0.391 -1.4384  0.0775  0.8548
+ 1203TIP3   OH2 5056   2.538   2.210   0.899 -0.4571 -0.1397 -0.1158
+ 1203TIP3    H1 5057   2.545   2.262   0.819  0.0463  0.2258  0.1613
+ 1203TIP3    H2 5058   2.617   2.156   0.898  0.2150  0.8141  0.7993
+ 1204TIP3   OH2 5059   0.923   1.261   1.908  0.1438 -0.2276  0.3066
+ 1204TIP3    H1 5060   0.969   1.343   1.926  0.1039 -0.8319  3.4384
+ 1204TIP3    H2 5061   0.991   1.194   1.912 -0.0488 -0.4922 -0.8721
+ 1205TIP3   OH2 5062   4.152   4.086   5.803 -0.3035  0.1450 -0.0834
+ 1205TIP3    H1 5063   4.168   4.135   5.722 -0.0760 -0.5297 -0.4430
+ 1205TIP3    H2 5064   4.220   4.117   5.863  0.2213 -0.1896 -0.5085
+ 1206TIP3   OH2 5065   2.047   4.937   6.052  0.3826  0.2253 -0.6292
+ 1206TIP3    H1 5066   2.121   4.904   6.001 -0.1177 -1.2122 -0.4652
+ 1206TIP3    H2 5067   1.994   4.859   6.071  0.6409  0.6868  2.2296
+ 1207TIP3   OH2 5068   2.786   1.623   3.206 -1.0496  0.0569  0.0545
+ 1207TIP3    H1 5069   2.735   1.700   3.180  0.4198  1.2333  0.6059
+ 1207TIP3    H2 5070   2.824   1.646   3.291 -0.5192 -1.2377  0.1873
+ 1208TIP3   OH2 5071   1.577   3.234   1.559 -0.3769  0.4894 -0.3358
+ 1208TIP3    H1 5072   1.615   3.321   1.565  1.0683 -0.1328 -0.2098
+ 1208TIP3    H2 5073   1.567   3.205   1.650 -0.3524  0.3206 -0.3854
+ 1209TIP3   OH2 5074   5.089   1.516   0.295 -0.4419  0.0316  0.0521
+ 1209TIP3    H1 5075   5.168   1.536   0.245 -0.8114  1.4094 -0.0058
+ 1209TIP3    H2 5076   5.118   1.515   0.387 -0.0221 -1.1883 -0.0962
+ 1210TIP3   OH2 5077   2.354   4.668   0.335  0.1003 -0.4215 -0.7474
+ 1210TIP3    H1 5078   2.423   4.604   0.356 -0.5901 -0.7263  0.6428
+ 1210TIP3    H2 5079   2.292   4.619   0.280 -1.1063 -1.3686  1.4019
+ 1211TIP3   OH2 5080   3.147   5.106   0.363 -0.6757 -0.0280  0.0476
+ 1211TIP3    H1 5081   3.051   5.105   0.361 -0.8418 -0.1302  3.5576
+ 1211TIP3    H2 5082   3.171   5.198   0.370 -0.4776  0.0306 -1.3073
+ 1212TIP3   OH2 5083   2.043   4.376   0.597 -0.0351 -0.7257  0.6503
+ 1212TIP3    H1 5084   2.115   4.321   0.628  1.6352  0.9897 -0.1005
+ 1212TIP3    H2 5085   2.079   4.465   0.596 -3.1094  0.6715  3.3045
+ 1213TIP3   OH2 5086   3.214   1.083   2.291 -0.0507  0.2241 -0.1815
+ 1213TIP3    H1 5087   3.193   1.095   2.199  1.5512 -1.5715 -0.8361
+ 1213TIP3    H2 5088   3.310   1.088   2.294  0.0419 -1.8051  1.0273
+ 1214TIP3   OH2 5089   4.831   3.583   2.258  0.3927  0.5806 -0.1692
+ 1214TIP3    H1 5090   4.837   3.489   2.243 -1.3173  0.2907  0.8351
+ 1214TIP3    H2 5091   4.909   3.604   2.310  1.4354 -0.0420 -1.4589
+ 1215TIP3   OH2 5092   1.792   3.397   1.063  0.2526  0.6620 -0.7721
+ 1215TIP3    H1 5093   1.743   3.317   1.079  0.6933  0.7032  0.9091
+ 1215TIP3    H2 5094   1.733   3.452   1.011  0.2394 -1.0247 -2.6260
+ 1216TIP3   OH2 5095   1.282   3.055   0.062  0.0790  0.0501 -0.3347
+ 1216TIP3    H1 5096   1.289   3.096  -0.024 -0.9562  1.6686  0.3468
+ 1216TIP3    H2 5097   1.328   3.114   0.121 -1.6511  0.3788  0.7026
+ 1217TIP3   OH2 5098   1.707   4.058   1.308 -0.3726 -0.1828  0.5116
+ 1217TIP3    H1 5099   1.666   4.107   1.236  3.4671  0.0828 -1.6495
+ 1217TIP3    H2 5100   1.765   3.996   1.265 -1.1164 -2.9797  3.3749
+ 1218TIP3   OH2 5101   4.188   4.558   6.112  0.2421  0.4405 -0.3451
+ 1218TIP3    H1 5102   4.102   4.584   6.146  0.8195 -0.8519  2.2172
+ 1218TIP3    H2 5103   4.250   4.609   6.164  1.1116 -0.7620 -0.1917
+ 1219TIP3   OH2 5104   2.902   4.175   0.416 -0.5034 -0.1653  0.0288
+ 1219TIP3    H1 5105   2.936   4.263   0.399 -0.4147 -0.4044 -1.0563
+ 1219TIP3    H2 5106   2.868   4.179   0.506 -1.5281  1.2943 -0.4097
+ 1220TIP3   OH2 5107   2.784   3.032   2.003 -0.0151 -0.5119 -0.2895
+ 1220TIP3    H1 5108   2.784   3.083   2.084 -1.3298  0.4533 -0.8821
+ 1220TIP3    H2 5109   2.789   3.097   1.933  2.1801 -1.3837 -0.9910
+ 1221TIP3   OH2 5110   2.137   3.903   1.537 -0.0961 -0.1947  0.5331
+ 1221TIP3    H1 5111   2.135   3.994   1.567 -0.1516 -0.4500  1.3219
+ 1221TIP3    H2 5112   2.210   3.900   1.475 -2.0796  1.1132 -1.9340
+ 1222TIP3   OH2 5113   4.417   6.570   6.867  0.1866  0.1471  0.0476
+ 1222TIP3    H1 5114   4.489   6.524   6.824 -0.7931 -2.4943  1.1248
+ 1222TIP3    H2 5115   4.355   6.591   6.797  0.0305 -1.3788 -0.2786
+ 1223TIP3   OH2 5116   3.995   1.376   0.802 -0.5229  0.2625  0.5746
+ 1223TIP3    H1 5117   3.951   1.376   0.717 -2.0974 -0.8889  1.3582
+ 1223TIP3    H2 5118   4.040   1.461   0.806 -2.0162  1.1289 -0.6027
+ 1224TIP3   OH2 5119   3.068   0.873   3.583  0.1182  0.2313  0.1782
+ 1224TIP3    H1 5120   3.081   0.913   3.669  1.1928 -1.0991  0.6395
+ 1224TIP3    H2 5121   3.130   0.918   3.526 -0.4967  1.0161  0.1142
+ 1225TIP3   OH2 5122   3.145   3.839   0.193  0.0656  0.4381  0.0242
+ 1225TIP3    H1 5123   3.060   3.857   0.153  0.1312  1.9236  0.5366
+ 1225TIP3    H2 5124   3.129   3.763   0.249 -0.5976 -0.1249 -0.9029
+ 1226TIP3   OH2 5125   3.490   3.589   1.706  0.0114 -0.3410 -0.8882
+ 1226TIP3    H1 5126   3.560   3.570   1.768  0.5363 -1.2668 -1.7650
+ 1226TIP3    H2 5127   3.411   3.553   1.748  0.1619  0.0919 -0.2207
+ 1227TIP3   OH2 5128   2.599   0.980   0.655 -0.5739 -0.0981  0.2203
+ 1227TIP3    H1 5129   2.589   0.910   0.719  0.0526 -0.7259 -0.3609
+ 1227TIP3    H2 5130   2.676   0.956   0.604  0.6138  1.8203  1.0429
+ 1228TIP3   OH2 5131   2.457   5.559   6.457 -0.3052 -0.0558 -0.2551
+ 1228TIP3    H1 5132   2.433   5.649   6.479 -2.3528 -0.8754  0.9878
+ 1228TIP3    H2 5133   2.480   5.519   6.541  0.6790 -0.6628 -0.8142
+ 1229TIP3   OH2 5134   2.481   3.104   5.454  0.1884  0.2629  0.2508
+ 1229TIP3    H1 5135   2.454   3.187   5.415  0.7717  0.6448  0.6514
+ 1229TIP3    H2 5136   2.509   3.127   5.542 -1.1403 -0.5998  0.9183
+ 1230TIP3   OH2 5137   3.932   0.272   0.861 -0.0226 -0.3377 -0.4903
+ 1230TIP3    H1 5138   3.923   0.179   0.881  0.2598 -0.0795  0.8852
+ 1230TIP3    H2 5139   4.021   0.281   0.828  0.4773 -0.3216  0.8214
+ 1231TIP3   OH2 5140   3.724   3.271   1.623  0.5833  0.2059  0.5812
+ 1231TIP3    H1 5141   3.807   3.257   1.669  1.8075  3.1090 -0.6444
+ 1231TIP3    H2 5142   3.660   3.284   1.692  1.2101 -1.5401  1.5326
+ 1232TIP3   OH2 5143   1.926   2.107   5.133 -0.5487  0.2609  0.1513
+ 1232TIP3    H1 5144   1.889   2.024   5.102  1.2037  0.0359 -1.4264
+ 1232TIP3    H2 5145   1.980   2.083   5.208  2.1906 -0.4611 -1.9986
+ 1233TIP3   OH2 5146   2.904   4.262   6.286  0.0736 -0.4053 -0.2136
+ 1233TIP3    H1 5147   2.947   4.215   6.214  1.1386  1.1105 -0.5790
+ 1233TIP3    H2 5148   2.924   4.354   6.271  0.6808 -0.0818  2.2447
+ 1234TIP3   OH2 5149   2.581   2.286   0.625  0.1075  0.2876  0.6686
+ 1234TIP3    H1 5150   2.568   2.202   0.581 -2.0868  1.1200 -0.3783
+ 1234TIP3    H2 5151   2.661   2.321   0.586  0.1733 -0.6304 -0.0425
+ 1235TIP3   OH2 5152   1.934   2.617   6.232  0.1113 -0.8286  0.6454
+ 1235TIP3    H1 5153   1.983   2.646   6.310  1.8570 -1.0982 -0.3288
+ 1235TIP3    H2 5154   1.972   2.667   6.160 -3.8261  1.9693  0.3993
+ 1236TIP3   OH2 5155   2.388   3.384   1.440  0.4775 -0.3746  0.3088
+ 1236TIP3    H1 5156   2.364   3.369   1.532 -0.1106 -1.1470  0.0412
+ 1236TIP3    H2 5157   2.483   3.379   1.439  0.4715 -0.6648  0.8293
+ 1237TIP3   OH2 5158   4.335   2.263   6.423  0.9695  0.1697 -0.1343
+ 1237TIP3    H1 5159   4.350   2.213   6.503  1.6877  1.0241  0.2674
+ 1237TIP3    H2 5160   4.293   2.344   6.452  0.2316  0.0097 -0.7324
+ 1238TIP3   OH2 5161   1.014   3.542   1.513  0.0973  0.3807  0.2883
+ 1238TIP3    H1 5162   1.032   3.621   1.564  1.6051 -0.2634  0.7856
+ 1238TIP3    H2 5163   1.101   3.510   1.487 -0.6085  0.4686 -2.3415
+ 1239TIP3   OH2 5164   1.258   3.393   4.384  0.5469 -0.1130 -0.6534
+ 1239TIP3    H1 5165   1.187   3.403   4.447  0.1258 -0.1281 -1.1258
+ 1239TIP3    H2 5166   1.301   3.312   4.410  0.4419 -0.0636 -0.3183
+ 1240TIP3   OH2 5167   5.257   1.460   6.402  0.1099  0.1303  0.0597
+ 1240TIP3    H1 5168   5.173   1.464   6.356 -0.8178 -0.5823  1.6652
+ 1240TIP3    H2 5169   5.303   1.387   6.361  0.0364  0.6367 -0.9510
+ 1241TIP3   OH2 5170   2.559   5.422   6.684 -0.2068 -0.8459  0.5351
+ 1241TIP3    H1 5171   2.654   5.411   6.685  0.1376  1.7977 -0.1813
+ 1241TIP3    H2 5172   2.531   5.391   6.769  1.7986  2.0682  2.3537
+ 1242TIP3   OH2 5173   3.149   3.297   2.530 -0.0307  0.3375 -0.1418
+ 1242TIP3    H1 5174   3.178   3.277   2.619 -2.4178  1.1951  0.8719
+ 1242TIP3    H2 5175   3.053   3.299   2.536 -0.2263  0.3932 -2.7374
+ 1243TIP3   OH2 5176   2.677   3.889   1.739  0.2977 -0.2979 -0.1957
+ 1243TIP3    H1 5177   2.769   3.884   1.764  1.0984  0.7351 -2.7375
+ 1243TIP3    H2 5178   2.650   3.976   1.766  0.4859 -0.0629 -0.7590
+ 1244TIP3   OH2 5179   5.576   2.085   0.324 -0.1626  0.1748 -0.1568
+ 1244TIP3    H1 5180   5.666   2.102   0.349  0.0297 -0.7385 -0.2097
+ 1244TIP3    H2 5181   5.528   2.081   0.408  0.1185 -0.8563 -0.0440
+ 1245TIP3   OH2 5182   1.536   2.106   0.293  0.7608  0.2517  0.1681
+ 1245TIP3    H1 5183   1.589   2.120   0.372  1.2220 -0.5008 -0.0061
+ 1245TIP3    H2 5184   1.593   2.056   0.235  0.6746  1.3790 -0.9185
+ 1246TIP3   OH2 5185   2.623   2.525   1.835  0.0381 -0.2723  0.5105
+ 1246TIP3    H1 5186   2.628   2.613   1.873 -0.7956 -0.3815  0.8945
+ 1246TIP3    H2 5187   2.663   2.534   1.749 -1.5276  0.8886 -0.1180
+ 1247TIP3   OH2 5188   2.690   4.641   5.785  0.0831 -0.3322  0.1774
+ 1247TIP3    H1 5189   2.718   4.707   5.722 -0.8790  0.2724  0.3731
+ 1247TIP3    H2 5190   2.769   4.591   5.804  0.1911 -1.1670 -2.2463
+ 1248TIP3   OH2 5191   4.071   3.047   0.730  0.5591 -0.0464  0.0064
+ 1248TIP3    H1 5192   4.089   3.128   0.779 -0.3515  0.4371 -0.4461
+ 1248TIP3    H2 5193   4.087   2.977   0.793 -0.4498  0.5684  0.9693
+ 1249TIP3   OH2 5194   5.310   2.047   1.624 -0.7612 -0.2290  0.1125
+ 1249TIP3    H1 5195   5.315   2.006   1.711 -1.2655  0.3600  0.4280
+ 1249TIP3    H2 5196   5.216   2.054   1.607 -0.7417  2.3721  0.8389
+ 1250TIP3   OH2 5197   2.889   3.342   0.228 -0.4280  0.1824 -0.4670
+ 1250TIP3    H1 5198   2.820   3.408   0.222  0.9009  1.9001  2.2223
+ 1250TIP3    H2 5199   2.971   3.391   0.214  0.4631 -1.2177 -0.2839
+ 1251TIP3   OH2 5200   2.080   5.002   2.117  0.5298 -0.1762  0.1683
+ 1251TIP3    H1 5201   2.072   4.976   2.025  0.0393  3.1908 -0.8152
+ 1251TIP3    H2 5202   2.169   4.976   2.141  0.8958 -0.4951 -1.4638
+ 1252TIP3   OH2 5203   3.792   5.290   1.363 -0.2524  0.4710  0.2186
+ 1252TIP3    H1 5204   3.723   5.243   1.411 -0.7124  0.0886 -0.7927
+ 1252TIP3    H2 5205   3.823   5.356   1.425 -0.4789 -0.3402  1.2182
+ 1253TIP3   OH2 5206   3.882   3.531   1.170 -0.5604 -0.0565  0.1463
+ 1253TIP3    H1 5207   3.972   3.497   1.170 -0.9040 -0.9885  1.2725
+ 1253TIP3    H2 5208   3.888   3.614   1.217  0.0301  0.8003 -1.4000
+ 1254TIP3   OH2 5209   2.371   3.089   0.383  0.0569  0.4846 -0.0197
+ 1254TIP3    H1 5210   2.348   2.997   0.393 -1.3241  0.6979 -1.1108
+ 1254TIP3    H2 5211   2.394   3.117   0.472  0.4534 -0.8951  0.3218
+ 1255TIP3   OH2 5212   3.789   2.770   0.854 -0.0193  0.2048  0.5361
+ 1255TIP3    H1 5213   3.824   2.684   0.830 -0.2262  0.2544  0.0437
+ 1255TIP3    H2 5214   3.861   2.830   0.839 -0.0975  0.2132  0.1975
+ 1256TIP3   OH2 5215   4.364   2.280   1.506 -0.3472  0.4657  0.2429
+ 1256TIP3    H1 5216   4.435   2.245   1.451 -0.9573 -2.6090  1.2781
+ 1256TIP3    H2 5217   4.402   2.283   1.594 -0.3090  2.5093  0.1627
+ 1257TIP3   OH2 5218   4.876   2.667   0.758  0.0732  0.2668 -0.0854
+ 1257TIP3    H1 5219   4.809   2.665   0.826  1.0753  1.1206  0.9439
+ 1257TIP3    H2 5220   4.904   2.575   0.749 -0.2364  0.1138  0.4783
+ 1258TIP3   OH2 5221   5.380   3.300   1.793 -0.1837  0.0647  0.0769
+ 1258TIP3    H1 5222   5.340   3.224   1.749 -0.6000  0.2789  0.0832
+ 1258TIP3    H2 5223   5.473   3.277   1.800 -0.4688 -0.8841  0.9782
+ 1259TIP3   OH2 5224   3.754   3.280   0.315 -0.0229 -0.0185 -1.2395
+ 1259TIP3    H1 5225   3.672   3.316   0.348  0.0880 -1.4243  0.6593
+ 1259TIP3    H2 5226   3.728   3.224   0.241 -0.7470 -0.1506 -0.8931
+ 1260TIP3   OH2 5227   4.339   3.133   1.472 -0.0732  0.5921  0.1834
+ 1260TIP3    H1 5228   4.351   3.154   1.565 -0.0745 -1.3720  0.6407
+ 1260TIP3    H2 5229   4.399   3.060   1.456 -2.2456 -1.0614 -0.6182
+ 1261TIP3   OH2 5230   2.522   2.398   5.061 -0.0841  0.0719  0.1342
+ 1261TIP3    H1 5231   2.596   2.344   5.032  0.0430 -0.3186  1.1788
+ 1261TIP3    H2 5232   2.541   2.485   5.026  0.9943  0.0312  0.5914
+ 1262TIP3   OH2 5233   1.776   4.792   5.386 -0.2439 -0.3742 -0.4450
+ 1262TIP3    H1 5234   1.720   4.807   5.462 -0.4281  0.9537 -0.8405
+ 1262TIP3    H2 5235   1.800   4.879   5.356  1.0411 -0.9223 -1.0236
+ 1263TIP3   OH2 5236   1.594   3.798   0.926  0.3007  0.3215  0.2902
+ 1263TIP3    H1 5237   1.656   3.805   0.999 -0.2152  1.6821  0.5995
+ 1263TIP3    H2 5238   1.510   3.822   0.962 -0.1048  0.2446 -0.5788
+ 1264TIP3   OH2 5239   2.710   4.554   1.160  0.1386  0.6536 -0.9109
+ 1264TIP3    H1 5240   2.752   4.535   1.077  1.4166  2.2394 -0.6373
+ 1264TIP3    H2 5241   2.677   4.644   1.151  1.9177  1.5296  0.9263
+ 1265TIP3   OH2 5242   1.771   4.323   6.122 -0.4296 -0.3324  0.5623
+ 1265TIP3    H1 5243   1.700   4.317   6.058 -1.2172 -1.3469  1.5057
+ 1265TIP3    H2 5244   1.773   4.237   6.164  1.4322 -0.3447  0.4763
+ 1266TIP3   OH2 5245   2.639   5.016   0.753 -0.2436  0.0428  0.3521
+ 1266TIP3    H1 5246   2.600   5.075   0.819  0.5404 -0.7964  1.5859
+ 1266TIP3    H2 5247   2.564   4.975   0.710 -0.7807  1.2146  0.1416
+ 1267TIP3   OH2 5248   2.973   4.003   0.912 -0.0387  0.1724  0.2335
+ 1267TIP3    H1 5249   3.049   3.989   0.855  0.9071  0.7886  1.3351
+ 1267TIP3    H2 5250   3.009   4.005   1.001 -1.4197 -0.1222  0.8096
+ 1268TIP3   OH2 5251   4.431   2.914   1.846  0.2888  0.0165 -0.3321
+ 1268TIP3    H1 5252   4.422   2.840   1.786  2.2637  0.7197 -1.5633
+ 1268TIP3    H2 5253   4.460   2.875   1.929 -2.0162 -0.9166  0.0594
+ 1269TIP3   OH2 5254   5.109   3.640   0.688 -0.3652 -0.2508 -0.0205
+ 1269TIP3    H1 5255   5.179   3.679   0.636  0.3485 -0.4614  0.7646
+ 1269TIP3    H2 5256   5.154   3.600   0.763 -1.5455  2.0288  1.9866
+ 1270TIP3   OH2 5257   1.701   2.704   0.129 -0.2354 -0.3428 -0.1005
+ 1270TIP3    H1 5258   1.699   2.755   0.049  0.6512 -0.0032  0.0934
+ 1270TIP3    H2 5259   1.749   2.625   0.107  1.6531  0.5730  0.5556
+ 1271TIP3   OH2 5260   5.087   1.948   1.763  0.1340  0.1317  0.1678
+ 1271TIP3    H1 5261   5.114   1.908   1.846  0.5521  0.2223  0.0788
+ 1271TIP3    H2 5262   5.029   1.883   1.723 -0.3018  0.2184  0.6695
+ 1272TIP3   OH2 5263   2.841   3.860   0.494  0.1581  0.0206 -0.2062
+ 1272TIP3    H1 5264   2.857   3.942   0.540 -2.4561  1.0354 -0.9788
+ 1272TIP3    H2 5265   2.792   3.806   0.556  0.6533 -0.3968 -0.1807
+ 1273TIP3   OH2 5266   2.342   3.992   0.438  0.3262 -0.0099  0.0967
+ 1273TIP3    H1 5267   2.323   3.902   0.462 -0.4402  0.0375 -0.3051
+ 1273TIP3    H2 5268   2.279   4.013   0.369  0.3452  0.9026  0.3388
+ 1274TIP3   OH2 5269   3.436   4.022   0.280 -0.2400  0.3301  0.0083
+ 1274TIP3    H1 5270   3.529   4.013   0.264 -0.4104  0.6559 -1.2294
+ 1274TIP3    H2 5271   3.411   3.941   0.325  0.2616 -0.6532 -1.4467
+ 1275TIP3   OH2 5272   2.293   2.152   0.304  0.4965  0.9062 -0.2912
+ 1275TIP3    H1 5273   2.212   2.196   0.329  0.1194 -0.2590  0.6223
+ 1275TIP3    H2 5274   2.362   2.212   0.329  0.0173  0.7571  1.4657
+ 1276TIP3   OH2 5275   3.276   3.039   2.513  0.7508  0.1154 -0.0916
+ 1276TIP3    H1 5276   3.288   3.041   2.608  0.7333  1.7632 -0.1152
+ 1276TIP3    H2 5277   3.215   3.110   2.494 -1.2487 -1.8212 -1.0850
+ 1277TIP3   OH2 5278   2.635   3.829   5.886 -0.2319 -0.9463  0.0747
+ 1277TIP3    H1 5279   2.582   3.775   5.945 -2.7637  2.1829  0.7892
+ 1277TIP3    H2 5280   2.675   3.895   5.943  0.4902 -0.2954 -1.1591
+ 1278TIP3   OH2 5281   6.752   2.192   4.965  0.3287 -0.1821  0.5411
+ 1278TIP3    H1 5282   6.701   2.113   4.980  0.1378 -0.1912 -0.1359
+ 1278TIP3    H2 5283   6.731   2.250   5.038  0.8078 -0.9303  1.2728
+ 1279TIP3   OH2 5284   4.377   3.451   1.016 -0.0699 -0.0732  0.0234
+ 1279TIP3    H1 5285   4.461   3.407   1.002  0.6189  1.5159 -0.9581
+ 1279TIP3    H2 5286   4.317   3.408   0.956  0.6351  0.4395 -1.0522
+ 1280TIP3   OH2 5287   2.510   1.794   6.498  0.2018 -0.2726  0.1772
+ 1280TIP3    H1 5288   2.430   1.841   6.477 -0.9341 -2.5158 -0.6891
+ 1280TIP3    H2 5289   2.513   1.792   6.594 -0.6191  0.0568  0.2103
+ 1281TIP3   OH2 5290   4.238   1.629   0.302 -0.5260  0.0684 -0.1045
+ 1281TIP3    H1 5291   4.156   1.652   0.346 -1.6182 -1.3268 -1.3663
+ 1281TIP3    H2 5292   4.253   1.701   0.241 -0.1842  0.9020  0.9458
+ 1282TIP3   OH2 5293   2.385   4.527   4.301  0.0021 -0.2428  0.2301
+ 1282TIP3    H1 5294   2.372   4.613   4.260  0.4888 -0.0010  0.5737
+ 1282TIP3    H2 5295   2.303   4.511   4.348 -0.1088  0.0190  0.1291
+ 1283TIP3   OH2 5296   2.260   1.726   0.610 -0.1890 -0.2855 -0.1333
+ 1283TIP3    H1 5297   2.313   1.786   0.557 -0.6128  0.7409  0.5905
+ 1283TIP3    H2 5298   2.322   1.662   0.644  0.5239  0.6636  0.3637
+ 1284TIP3   OH2 5299   4.447   1.049   2.804  0.0633  0.1374 -0.1319
+ 1284TIP3    H1 5300   4.392   1.005   2.741  1.5044  1.1830 -2.1699
+ 1284TIP3    H2 5301   4.525   0.994   2.811  0.2230  0.3934  0.1614
+ 1285TIP3   OH2 5302   4.824   1.939   5.746  0.4344  0.0252  0.1311
+ 1285TIP3    H1 5303   4.765   1.921   5.673 -0.5516 -1.2722  1.2180
+ 1285TIP3    H2 5304   4.783   2.011   5.793 -0.6084 -1.2279  1.1931
+ 1286TIP3   OH2 5305   2.707   4.180   5.893 -0.0893 -0.1210  0.3971
+ 1286TIP3    H1 5306   2.683   4.141   5.977  0.0432 -1.0179  0.0284
+ 1286TIP3    H2 5307   2.765   4.253   5.916 -0.5528  0.0257  1.1147
+ 1287TIP3   OH2 5308   2.183   5.088   5.785  0.4518  0.1085 -0.1138
+ 1287TIP3    H1 5309   2.249   5.024   5.761  0.3839 -0.2480  0.6409
+ 1287TIP3    H2 5310   2.102   5.037   5.795  0.0738  0.5316 -0.9802
+ 1288TIP3   OH2 5311   0.976   2.368   6.454 -0.0973 -0.0453 -0.5616
+ 1288TIP3    H1 5312   0.937   2.316   6.524 -0.8846  0.2375 -0.7776
+ 1288TIP3    H2 5313   0.930   2.341   6.375 -0.0650  0.5114 -0.7748
+ 1289TIP3   OH2 5314   1.841   0.338   6.739 -0.3118  0.4574  0.1980
+ 1289TIP3    H1 5315   1.867   0.344   6.831 -0.6030 -0.0998  0.3163
+ 1289TIP3    H2 5316   1.889   0.409   6.697  0.3706  0.2718  0.6514
+ 1290TIP3   OH2 5317   2.026   5.245   2.206  0.2953 -0.1820 -0.3617
+ 1290TIP3    H1 5318   2.087   5.238   2.279 -0.8310  0.3299  0.6379
+ 1290TIP3    H2 5319   2.023   5.156   2.169  1.2337 -0.3329 -0.1051
+ 1291TIP3   OH2 5320   1.403   5.868   2.340  0.0781  0.2802  0.6363
+ 1291TIP3    H1 5321   1.342   5.797   2.361  0.7000 -0.2783  0.5759
+ 1291TIP3    H2 5322   1.482   5.823   2.310 -0.3434  1.0365 -1.6647
+ 1292TIP3   OH2 5323   2.748   2.487   2.237  0.9828 -0.1671 -0.6884
+ 1292TIP3    H1 5324   2.730   2.572   2.198  3.0015  0.2868 -0.6776
+ 1292TIP3    H2 5325   2.744   2.425   2.164 -0.6970 -0.1037 -0.6571
+ 1293TIP3   OH2 5326   3.351   2.523   0.187 -0.0875  0.3616  0.5301
+ 1293TIP3    H1 5327   3.313   2.550   0.270 -0.6522  0.7095  0.1640
+ 1293TIP3    H2 5328   3.358   2.604   0.136 -0.7425 -0.0040 -0.1529
+ 1294TIP3   OH2 5329   3.105   3.798   2.243  0.2290 -0.4676  0.1397
+ 1294TIP3    H1 5330   3.143   3.718   2.281 -0.6393 -1.6664 -1.4412
+ 1294TIP3    H2 5331   3.165   3.822   2.172  0.9749  0.8343  1.1871
+ 1295TIP3   OH2 5332   3.518   3.233   0.936 -0.5339  0.1776  0.2764
+ 1295TIP3    H1 5333   3.528   3.204   1.027  3.1342  1.5630  0.3994
+ 1295TIP3    H2 5334   3.493   3.325   0.942  0.4544  0.4768 -0.0962
+ 1296TIP3   OH2 5335   6.756   2.721   2.068  0.2343  0.2815  0.1077
+ 1296TIP3    H1 5336   6.724   2.634   2.047 -1.8786  0.9884  0.2366
+ 1296TIP3    H2 5337   6.820   2.708   2.137  0.6300 -1.2409 -0.5297
+ 1297TIP3   OH2 5338   3.869   3.694   0.153 -0.0432  0.0945 -0.3929
+ 1297TIP3    H1 5339   3.939   3.633   0.176 -0.1654  0.0280 -0.1914
+ 1297TIP3    H2 5340   3.845   3.670   0.063  0.4128  0.3345 -0.5795
+ 1298TIP3   OH2 5341   6.692   2.510   1.575  0.4754 -0.6843 -0.6447
+ 1298TIP3    H1 5342   6.603   2.528   1.543  0.1954  0.0583  0.5337
+ 1298TIP3    H2 5343   6.725   2.442   1.516 -0.5207 -0.2829 -1.6882
+ 1299TIP3   OH2 5344   4.943   2.142   2.450 -0.5893 -0.2699  0.7894
+ 1299TIP3    H1 5345   4.999   2.166   2.376 -0.4276 -1.5999  0.4632
+ 1299TIP3    H2 5346   4.998   2.154   2.527 -0.6166  0.6877  0.6722
+ 1300TIP3   OH2 5347   1.936   2.770   2.487 -0.1338 -0.1479  0.7360
+ 1300TIP3    H1 5348   1.984   2.721   2.554 -1.1415 -1.4888  0.5062
+ 1300TIP3    H2 5349   2.004   2.819   2.440  0.9328 -1.4959  0.8438
+ 1301TIP3   OH2 5350   2.370   1.979   2.182  0.1328 -0.3870  0.1655
+ 1301TIP3    H1 5351   2.288   1.982   2.232  1.0554 -1.7601  1.8154
+ 1301TIP3    H2 5352   2.367   1.895   2.137  0.0032  0.1899 -0.9286
+ 1302TIP3   OH2 5353   4.979   0.437   6.680  0.1181  0.3968 -0.1016
+ 1302TIP3    H1 5354   4.976   0.469   6.770 -0.7184 -0.4974  0.1998
+ 1302TIP3    H2 5355   5.003   0.513   6.628 -1.0542  1.3132  0.6852
+ 1303TIP3   OH2 5356   3.745   1.713   2.019  0.6310 -0.4599 -0.2570
+ 1303TIP3    H1 5357   3.786   1.740   1.937  4.0117  1.5027  1.9576
+ 1303TIP3    H2 5358   3.671   1.772   2.029  0.3035 -0.5859 -1.7577
+ 1304TIP3   OH2 5359   1.135   3.673   3.413 -0.7372 -0.1311 -0.6802
+ 1304TIP3    H1 5360   1.135   3.667   3.509 -1.2809 -0.5256 -0.7016
+ 1304TIP3    H2 5361   1.223   3.704   3.391 -0.9797  1.0928  0.0102
+ 1305TIP3   OH2 5362   2.429   4.617   6.066 -0.1904 -0.3545  0.3110
+ 1305TIP3    H1 5363   2.483   4.596   6.142  0.3619 -0.3871 -0.0843
+ 1305TIP3    H2 5364   2.422   4.534   6.018  1.9417  0.3090 -1.2234
+ 1306TIP3   OH2 5365   3.440   5.511   6.636 -0.7074  0.0587  0.1528
+ 1306TIP3    H1 5366   3.505   5.557   6.582 -0.1187 -1.2686 -0.2979
+ 1306TIP3    H2 5367   3.474   5.518   6.725 -0.1238 -0.3324 -0.0346
+ 1307TIP3   OH2 5368   2.385   5.178   6.201 -0.3522 -0.0767 -0.0103
+ 1307TIP3    H1 5369   2.291   5.176   6.220 -0.0845 -1.7915  1.2509
+ 1307TIP3    H2 5370   2.399   5.107   6.139 -0.1019  1.1483 -1.3952
+ 1308TIP3   OH2 5371   4.114   2.712   1.442  0.0280 -0.1010  0.5034
+ 1308TIP3    H1 5372   4.092   2.695   1.350  0.2879  0.3963  0.3462
+ 1308TIP3    H2 5373   4.205   2.684   1.450  0.4149  1.0609  0.2783
+ 1309TIP3   OH2 5374   1.746   3.318   1.822  0.0127 -0.3831  0.1708
+ 1309TIP3    H1 5375   1.806   3.383   1.858 -0.4200  0.7029 -1.0399
+ 1309TIP3    H2 5376   1.663   3.335   1.865 -0.0208 -0.3590  0.0961
+ 1310TIP3   OH2 5377   4.339   1.636   2.099 -0.4947  0.1560 -0.1041
+ 1310TIP3    H1 5378   4.305   1.713   2.146  1.2511  0.6800  0.3455
+ 1310TIP3    H2 5379   4.343   1.568   2.166  0.4081  0.4205  0.1118
+ 1311TIP3   OH2 5380   2.319   3.963   2.349 -0.4410  0.2542  0.1437
+ 1311TIP3    H1 5381   2.399   3.974   2.400  0.6583 -1.8214 -1.0792
+ 1311TIP3    H2 5382   2.263   4.036   2.376  1.1394  0.6879  2.3370
+ 1312TIP3   OH2 5383   2.812   4.389   0.703  0.2773 -0.2422  0.4679
+ 1312TIP3    H1 5384   2.880   4.456   0.704  0.0420 -0.0015  0.8633
+ 1312TIP3    H2 5385   2.737   4.432   0.661  0.3707 -0.5046  0.0379
+ 1313TIP3   OH2 5386   4.038   5.794   5.636  0.4296  0.2772  0.0168
+ 1313TIP3    H1 5387   3.975   5.733   5.674  2.0176 -1.4517 -0.0461
+ 1313TIP3    H2 5388   4.001   5.881   5.654 -0.6128 -0.5956  2.3454
+ 1314TIP3   OH2 5389   0.846   2.345   1.210 -0.0278  0.1370 -0.4155
+ 1314TIP3    H1 5390   0.866   2.253   1.193 -0.7251  0.3299 -2.4261
+ 1314TIP3    H2 5391   0.931   2.386   1.225  0.1722 -1.1000  1.9549
+ 1315TIP3   OH2 5392   4.144   1.502   1.886  0.0947  0.5572  0.1062
+ 1315TIP3    H1 5393   4.173   1.592   1.900 -1.1599  0.7940  1.1829
+ 1315TIP3    H2 5394   4.225   1.455   1.866  1.0575  1.5011  1.6498
+ 1316TIP3   OH2 5395   4.588   2.517   0.791  0.5568  0.0336 -0.7233
+ 1316TIP3    H1 5396   4.543   2.601   0.802  1.3750  0.3442  0.3861
+ 1316TIP3    H2 5397   4.574   2.471   0.874  0.3127 -0.8368 -1.2371
+ 1317TIP3   OH2 5398   1.148   4.010   2.083 -0.0860  0.5339 -0.4744
+ 1317TIP3    H1 5399   1.201   4.053   2.150 -0.6382 -0.8640  0.9016
+ 1317TIP3    H2 5400   1.187   4.038   2.000  0.2477  2.7521  0.4012
+ 1318TIP3   OH2 5401   0.863   3.929   2.433  0.3406  0.6128 -0.5661
+ 1318TIP3    H1 5402   0.783   3.958   2.389  0.0425  0.9646  0.2013
+ 1318TIP3    H2 5403   0.833   3.895   2.517  1.1131  1.7521  0.1870
+ 1319TIP3   OH2 5404   2.618   3.172   2.499  0.7386  0.4847 -0.2376
+ 1319TIP3    H1 5405   2.528   3.178   2.531  0.7078  0.6371 -0.3556
+ 1319TIP3    H2 5406   2.672   3.190   2.577  0.6778 -0.3984  0.0145
+ 1320TIP3   OH2 5407   0.924   4.161   1.380 -0.1235  0.1541 -0.2465
+ 1320TIP3    H1 5408   0.982   4.222   1.334  0.7761  0.4406  1.2127
+ 1320TIP3    H2 5409   0.864   4.218   1.429  0.2469 -0.1265  0.5409
+ 1321TIP3   OH2 5410   1.834   4.438   0.755  0.0997 -0.0081  0.2161
+ 1321TIP3    H1 5411   1.908   4.416   0.699 -0.5897 -1.0493 -0.2986
+ 1321TIP3    H2 5412   1.760   4.391   0.717 -1.0024  1.6377  0.2669
+ 1322TIP3   OH2 5413   2.177   3.441   0.847 -0.6208  0.4431 -0.2397
+ 1322TIP3    H1 5414   2.128   3.396   0.777  1.5299  0.6737 -1.9378
+ 1322TIP3    H2 5415   2.268   3.416   0.832 -0.1976 -0.0152  2.9193
+ 1323TIP3   OH2 5416   4.610   5.702   2.987 -0.0593  0.2755 -0.0740
+ 1323TIP3    H1 5417   4.663   5.699   2.907 -1.3969 -0.6596 -0.9549
+ 1323TIP3    H2 5418   4.593   5.795   3.001  1.2614  0.5371 -0.1431
+ 1324TIP3   OH2 5419   2.517   3.167   6.808 -0.1528 -0.2253  0.4468
+ 1324TIP3    H1 5420   2.588   3.109   6.835  0.8121  0.2600 -0.9660
+ 1324TIP3    H2 5421   2.489   3.133   6.724 -0.1466  0.8349  0.0011
+ 1325TIP3   OH2 5422   3.758   3.870   0.476 -0.6689  0.6454 -0.0880
+ 1325TIP3    H1 5423   3.798   3.788   0.504  1.1154  1.4936 -0.0732
+ 1325TIP3    H2 5424   3.692   3.889   0.543  0.9197  0.7016  1.4908
+ 1326TIP3   OH2 5425   2.581   4.711   1.931 -0.2419  0.0764  0.4226
+ 1326TIP3    H1 5426   2.569   4.771   1.858  1.4797 -0.5378 -0.3798
+ 1326TIP3    H2 5427   2.553   4.626   1.898  0.9682 -0.2920  0.2995
+ 1327TIP3   OH2 5428   4.757   3.242   0.502  0.4506  0.1201  0.1512
+ 1327TIP3    H1 5429   4.664   3.240   0.526  0.4799 -0.2463  0.2360
+ 1327TIP3    H2 5430   4.765   3.176   0.433  0.2080  1.6923 -1.4256
+ 1328TIP3   OH2 5431   2.999   5.235   6.668  0.0255  0.4767  0.1524
+ 1328TIP3    H1 5432   3.022   5.266   6.580  1.0090 -0.2009  0.1596
+ 1328TIP3    H2 5433   3.048   5.293   6.727 -0.0822  0.4829  0.2351
+ 1329TIP3   OH2 5434   4.888   2.895   1.735  0.3958  0.5636 -0.0516
+ 1329TIP3    H1 5435   4.822   2.962   1.750  0.2955  0.9369 -2.0688
+ 1329TIP3    H2 5436   4.928   2.918   1.651  1.8049 -0.7104  0.2359
+ 1330TIP3   OH2 5437   0.535   2.278   2.458  0.1553 -0.4414  0.1065
+ 1330TIP3    H1 5438   0.447   2.270   2.422  1.0155 -0.5236 -2.1180
+ 1330TIP3    H2 5439   0.530   2.352   2.519 -1.5446 -0.7437  0.3379
+ 1331TIP3   OH2 5440   4.443   4.671   5.680  0.1155  0.6047 -0.1230
+ 1331TIP3    H1 5441   4.465   4.737   5.614 -0.7419  1.2352  0.2202
+ 1331TIP3    H2 5442   4.422   4.593   5.629  0.5030  0.7809 -0.5601
+ 1332TIP3   OH2 5443   6.781   4.016   0.713  0.0202  0.0798  0.6409
+ 1332TIP3    H1 5444   6.752   3.938   0.665  0.6042 -0.5146  1.2328
+ 1332TIP3    H2 5445   6.875   4.001   0.728  0.2952  1.2321  0.1360
+ 1333TIP3   OH2 5446   4.031   2.039   0.424 -0.5570 -0.1538 -0.1994
+ 1333TIP3    H1 5447   3.958   2.093   0.394 -2.2419 -1.7141  0.9843
+ 1333TIP3    H2 5448   3.990   1.958   0.455  1.3478  0.1070  3.2488
+ 1334TIP3   OH2 5449   1.268   2.088   3.249  0.2765  0.3914 -0.3624
+ 1334TIP3    H1 5450   1.312   2.020   3.198 -0.8414  0.3754 -1.3128
+ 1334TIP3    H2 5451   1.312   2.169   3.222 -0.9185  0.4972 -2.0571
+ 1335TIP3   OH2 5452   5.591   0.949   1.546 -0.4961  0.1175 -0.3359
+ 1335TIP3    H1 5453   5.683   0.933   1.526  0.6566  1.6486  3.3054
+ 1335TIP3    H2 5454   5.582   1.044   1.543 -2.2628 -0.0515 -1.6499
+ 1336TIP3   OH2 5455   4.250   1.675   1.304 -0.5455  0.4355 -0.0630
+ 1336TIP3    H1 5456   4.231   1.762   1.268 -0.9511  0.7407  0.8976
+ 1336TIP3    H2 5457   4.293   1.692   1.388  1.8963 -0.2651 -1.1168
+ 1337TIP3   OH2 5458   5.062   1.704   0.812 -0.0895  0.1665  0.0253
+ 1337TIP3    H1 5459   5.145   1.687   0.857 -1.4493 -0.1808  2.4940
+ 1337TIP3    H2 5460   5.072   1.662   0.727  1.3347 -2.1762  1.2810
+ 1338TIP3   OH2 5461   4.267   3.677   1.689  0.5024  0.6240 -0.1682
+ 1338TIP3    H1 5462   4.341   3.636   1.644  1.5616  1.7299  0.5271
+ 1338TIP3    H2 5463   4.234   3.743   1.629  0.2918  0.3713 -0.3341
+ 1339TIP3   OH2 5464   1.930   4.581   0.961 -0.3442 -0.1381 -0.4476
+ 1339TIP3    H1 5465   1.959   4.518   1.027  0.6906 -1.0966 -1.8231
+ 1339TIP3    H2 5466   1.896   4.528   0.890  3.0522  0.7075 -2.8245
+ 1340TIP3   OH2 5467   6.280   4.132   0.733 -0.3516  0.3273  0.3813
+ 1340TIP3    H1 5468   6.303   4.062   0.794 -0.3456  1.1475  1.3154
+ 1340TIP3    H2 5469   6.254   4.205   0.788  1.2658  1.6310 -0.5591
+ 1341TIP3   OH2 5470   0.719   2.134   2.607 -0.1515  0.3127  0.0809
+ 1341TIP3    H1 5471   0.665   2.192   2.553  0.1232 -0.5371 -1.1217
+ 1341TIP3    H2 5472   0.657   2.080   2.655 -0.3968 -0.8724 -1.5277
+ 1342TIP3   OH2 5473   3.336   3.840   1.661 -0.1441  0.3473  0.1086
+ 1342TIP3    H1 5474   3.378   3.758   1.688 -0.7280  0.8970  2.8554
+ 1342TIP3    H2 5475   3.409   3.897   1.637  0.3554 -0.4316 -0.2574
+ 1343TIP3   OH2 5476   4.302   2.480   1.096 -0.1239  0.0731 -0.2050
+ 1343TIP3    H1 5477   4.375   2.444   1.045 -0.7676  2.4606 -2.9720
+ 1343TIP3    H2 5478   4.330   2.568   1.120 -1.7589  0.7220 -0.6125
+ 1344TIP3   OH2 5479   2.434   1.952   5.941  0.1175  0.1798 -0.2944
+ 1344TIP3    H1 5480   2.355   1.985   5.899  0.0612 -0.9877 -1.1265
+ 1344TIP3    H2 5481   2.468   1.886   5.881  0.2462 -1.2396  1.2880
+ 1345TIP3   OH2 5482   0.056   2.303   1.628 -0.8349  0.9668 -0.0033
+ 1345TIP3    H1 5483   0.138   2.327   1.587 -0.9383  2.2108  0.5084
+ 1345TIP3    H2 5484   0.078   2.229   1.685 -0.3469  0.4192 -0.9059
+ 1346TIP3   OH2 5485   5.363   6.644   2.980  0.2175  0.2141 -0.0193
+ 1346TIP3    H1 5486   5.320   6.643   2.894 -2.0334 -1.6785  1.0962
+ 1346TIP3    H2 5487   5.366   6.552   3.007  2.2371  0.6342  1.3205
+ 1347TIP3   OH2 5488   2.419   3.731   6.171 -0.1843  0.4326 -0.2178
+ 1347TIP3    H1 5489   2.433   3.698   6.083 -3.4702 -0.8687 -0.3378
+ 1347TIP3    H2 5490   2.401   3.652   6.223  0.7456  1.2743  1.4278
+ 1348TIP3   OH2 5491   4.401   1.979   1.214 -0.2734  0.1135 -0.1435
+ 1348TIP3    H1 5492   4.336   2.046   1.195  0.4007  0.4197 -1.4012
+ 1348TIP3    H2 5493   4.393   1.964   1.308 -0.5171  1.8539  0.1234
+ 1349TIP3   OH2 5494   3.079   4.109   1.182  0.5392 -0.3706 -0.1149
+ 1349TIP3    H1 5495   3.089   4.189   1.129  1.0724  0.0438  0.6018
+ 1349TIP3    H2 5496   3.015   4.133   1.249  3.1106  0.5125  2.1012
+ 1350TIP3   OH2 5497   1.385   1.517   1.948  0.1404  0.3592  0.0301
+ 1350TIP3    H1 5498   1.314   1.489   1.890  0.8244 -0.3893 -0.4583
+ 1350TIP3    H2 5499   1.407   1.606   1.917 -0.0498  0.2861 -0.3255
+ 1351TIP3   OH2 5500   0.234   4.919   2.047  0.0153  0.3160  0.1736
+ 1351TIP3    H1 5501   0.245   4.864   1.970 -0.3609 -0.5504  0.7251
+ 1351TIP3    H2 5502   0.151   4.964   2.033  0.0746  0.3548 -0.0493
+ 1352TIP3   OH2 5503   1.342   5.453   1.947  0.3769  0.1131 -0.3767
+ 1352TIP3    H1 5504   1.394   5.530   1.967 -0.3855  0.4838  0.2350
+ 1352TIP3    H2 5505   1.403   5.380   1.953  0.7882  0.5220  0.4875
+ 1353TIP3   OH2 5506   2.175   2.651   6.396  0.8652 -0.1663 -0.1788
+ 1353TIP3    H1 5507   2.157   2.558   6.383 -1.8837  0.4769 -1.3504
+ 1353TIP3    H2 5508   2.141   2.670   6.484  0.8725 -0.1430 -0.1812
+ 1354TIP3   OH2 5509   4.305   3.969   2.336  0.1721  0.3995  0.0078
+ 1354TIP3    H1 5510   4.393   4.008   2.333 -1.0326  3.1455 -1.1380
+ 1354TIP3    H2 5511   4.247   4.042   2.357 -1.9748 -1.1869 -0.2221
+ 1355TIP3   OH2 5512   3.209   3.477   0.412 -0.3374  0.9125 -0.1327
+ 1355TIP3    H1 5513   3.179   3.395   0.450  1.3134  0.6871  0.7410
+ 1355TIP3    H2 5514   3.147   3.543   0.445 -1.0150  0.1901  0.0548
+ 1356TIP3   OH2 5515   1.879   2.255   2.443 -0.0493  0.7921 -0.1705
+ 1356TIP3    H1 5516   1.822   2.222   2.373  0.1170  0.8142 -0.3185
+ 1356TIP3    H2 5517   1.836   2.336   2.472  0.4812  1.3890 -1.0358
+ 1357TIP3   OH2 5518   2.248   4.145   2.694 -0.2977 -0.0837  0.1949
+ 1357TIP3    H1 5519   2.343   4.143   2.694 -0.2043  2.4057 -0.1118
+ 1357TIP3    H2 5520   2.223   4.112   2.607  0.4646  2.9530 -1.2444
+ 1358TIP3   OH2 5521   5.046   1.057   1.160 -0.2367 -0.0489 -0.4853
+ 1358TIP3    H1 5522   5.012   1.074   1.072 -0.0953 -0.5413 -0.6388
+ 1358TIP3    H2 5523   5.132   1.017   1.145 -0.1908 -0.0909 -0.1198
+ 1359TIP3   OH2 5524   3.852   3.054   1.048 -0.2259 -0.4117 -0.3597
+ 1359TIP3    H1 5525   3.938   3.018   1.069 -0.3271  0.5239  1.8003
+ 1359TIP3    H2 5526   3.794   3.021   1.116 -0.5884  2.6816  0.9202
+ 1360TIP3   OH2 5527   3.929   2.300   1.751 -0.5155  0.4088  0.3959
+ 1360TIP3    H1 5528   3.989   2.356   1.701  0.1544 -0.3522  0.3385
+ 1360TIP3    H2 5529   3.983   2.264   1.822 -1.2798  0.9100  1.2489
+ 1361TIP3   OH2 5530   2.803   4.039   6.569  0.4360  0.6190  0.5524
+ 1361TIP3    H1 5531   2.786   4.002   6.656  0.1592  0.7062  0.5372
+ 1361TIP3    H2 5532   2.717   4.066   6.538  0.1864 -1.5529 -0.7194
+ 1362TIP3   OH2 5533   1.247   4.592   0.964  0.4325  0.0830  0.8962
+ 1362TIP3    H1 5534   1.311   4.552   0.906 -0.1072  0.6656 -0.1216
+ 1362TIP3    H2 5535   1.176   4.621   0.906  0.2848  1.4579  1.7255
+ 1363TIP3   OH2 5536   3.618   0.338   0.248 -0.1826  0.4253 -0.6952
+ 1363TIP3    H1 5537   3.690   0.339   0.312 -0.2009 -0.1372 -0.6637
+ 1363TIP3    H2 5538   3.574   0.255   0.264 -1.3230  1.1198 -0.1858
+ 1364TIP3   OH2 5539   2.260   2.013   1.020  0.1353 -0.1877  0.1389
+ 1364TIP3    H1 5540   2.309   2.080   1.067  2.1667 -0.6972 -1.1895
+ 1364TIP3    H2 5541   2.187   2.061   0.980  0.2728  0.8108  1.0694
+ 1365TIP3   OH2 5542   4.804   0.994   5.628 -0.3955  0.2759 -0.4785
+ 1365TIP3    H1 5543   4.729   1.047   5.655 -0.1300  1.5312 -2.0812
+ 1365TIP3    H2 5544   4.878   1.054   5.634  0.3861 -0.7961  0.5643
+ 1366TIP3   OH2 5545   5.936   0.698   0.786  1.2535 -0.0978  0.8499
+ 1366TIP3    H1 5546   6.003   0.640   0.753  1.2680  0.8115 -0.7486
+ 1366TIP3    H2 5547   5.901   0.742   0.709  1.0725  1.8227  1.9868
+ 1367TIP3   OH2 5548   4.426   1.933   0.560  0.5154 -0.3698 -0.6692
+ 1367TIP3    H1 5549   4.471   1.879   0.496  1.4154 -0.4280 -0.0053
+ 1367TIP3    H2 5550   4.496   1.971   0.613 -0.2631 -1.6645  1.3393
+ 1368TIP3   OH2 5551   3.617   4.492   0.970 -0.0808  0.4028 -0.1609
+ 1368TIP3    H1 5552   3.541   4.437   0.948  0.6746 -0.4635 -0.6035
+ 1368TIP3    H2 5553   3.693   4.437   0.953  0.6292  0.8806  1.3678
+ 1369TIP3   OH2 5554   0.705   2.254   0.500 -0.0669  0.1642  0.0689
+ 1369TIP3    H1 5555   0.715   2.191   0.429  0.5358 -0.9480  1.1414
+ 1369TIP3    H2 5556   0.753   2.331   0.470  1.5672 -0.8804 -0.0170
+ 1370TIP3   OH2 5557   3.682   3.093   1.890 -0.4144 -0.6969  0.1810
+ 1370TIP3    H1 5558   3.717   3.118   1.975 -0.3154 -0.1520 -0.0190
+ 1370TIP3    H2 5559   3.629   3.167   1.862  0.4821 -0.3811 -0.7497
+ 1371TIP3   OH2 5560   0.963   2.352   6.136  0.1380 -0.0852 -0.2028
+ 1371TIP3    H1 5561   1.013   2.289   6.189 -0.7769 -1.2177 -0.6840
+ 1371TIP3    H2 5562   1.026   2.421   6.117  0.7315 -0.0785  1.6414
+ 1372TIP3   OH2 5563   2.740   3.561   0.140  0.1829  0.2917  0.1727
+ 1372TIP3    H1 5564   2.758   3.652   0.167 -0.4486  0.5512 -0.2738
+ 1372TIP3    H2 5565   2.772   3.556   0.050  0.1818  0.0818  0.1852
+ 1373TIP3   OH2 5566   2.031   3.105   6.515 -0.1390  0.1357  0.3111
+ 1373TIP3    H1 5567   2.046   3.021   6.559  1.1782  0.5467  0.6676
+ 1373TIP3    H2 5568   1.939   3.101   6.488 -0.3258 -1.0793  1.0513
+ 1374TIP3   OH2 5569   2.509   5.144   0.967 -0.8759 -0.0546 -0.3864
+ 1374TIP3    H1 5570   2.481   5.229   1.001 -0.4163  0.7217 -1.9015
+ 1374TIP3    H2 5571   2.521   5.089   1.044 -1.1941  1.2628  0.6002
+ 1375TIP3   OH2 5572   4.360   3.730   1.208 -0.2824 -0.1700 -0.2063
+ 1375TIP3    H1 5573   4.376   3.659   1.270 -3.4370 -1.4422 -0.7505
+ 1375TIP3    H2 5574   4.274   3.764   1.233 -0.5681  0.8208 -2.4335
+ 1376TIP3   OH2 5575   3.001   4.613   0.651  0.3972  0.3189  0.3880
+ 1376TIP3    H1 5576   3.058   4.563   0.592 -1.9653 -1.0492 -0.8299
+ 1376TIP3    H2 5577   3.017   4.704   0.629  0.8795 -0.1175 -1.1497
+ 1377TIP3   OH2 5578   2.115   1.486   0.504 -0.1485  0.0844  0.0910
+ 1377TIP3    H1 5579   2.139   1.570   0.544 -0.6276  0.6146 -0.7204
+ 1377TIP3    H2 5580   2.183   1.426   0.532 -0.9896  0.2209  2.4998
+ 1378TIP3   OH2 5581   1.585   1.596   2.344  0.1759 -0.5562  0.1700
+ 1378TIP3    H1 5582   1.567   1.586   2.438  1.8731 -0.7173  0.4864
+ 1378TIP3    H2 5583   1.498   1.592   2.303 -0.4778 -1.6959  1.6210
+ 1379TIP3   OH2 5584   2.941   6.465   2.262 -0.0254 -0.6064  0.2512
+ 1379TIP3    H1 5585   2.852   6.473   2.228 -0.0194 -0.8803  0.1763
+ 1379TIP3    H2 5586   2.956   6.549   2.307 -1.0635 -1.3315  1.9994
+ 1380TIP3   OH2 5587   2.170   2.907   1.161  0.0350  0.3718  0.2967
+ 1380TIP3    H1 5588   2.167   2.875   1.071  1.3045 -0.2021  0.4501
+ 1380TIP3    H2 5589   2.240   2.971   1.161  0.3153  0.0690  0.9709
+ 1381TIP3   OH2 5590   3.729   3.137   1.393  0.1948  0.1882 -0.5076
+ 1381TIP3    H1 5591   3.801   3.174   1.342 -0.6649  1.2046 -0.9894
+ 1381TIP3    H2 5592   3.738   3.177   1.480  1.2039 -0.9692 -0.0575
+ 1382TIP3   OH2 5593   5.803   1.394   0.753 -0.1250  0.4241 -0.5085
+ 1382TIP3    H1 5594   5.738   1.448   0.797 -0.4971 -1.0190  0.7866
+ 1382TIP3    H2 5595   5.859   1.360   0.824  0.7531 -0.0089 -1.3874
+ 1383TIP3   OH2 5596   5.289   2.480   1.297 -0.3345 -0.5181  0.1917
+ 1383TIP3    H1 5597   5.264   2.482   1.205  0.8692  0.0399 -0.1322
+ 1383TIP3    H2 5598   5.239   2.551   1.337  0.5756  0.4782 -0.4116
+ 1384TIP3   OH2 5599   0.665   1.767   0.549  0.3216  0.5123  0.0371
+ 1384TIP3    H1 5600   0.681   1.851   0.590 -0.4733 -0.0426  1.5567
+ 1384TIP3    H2 5601   0.578   1.741   0.582  1.2516 -1.6243  0.8788
+ 1385TIP3   OH2 5602   4.648   2.108   1.959  0.2535  0.1168  0.0114
+ 1385TIP3    H1 5603   4.677   2.018   1.974  0.6172 -0.0658 -1.6831
+ 1385TIP3    H2 5604   4.710   2.162   2.007  0.6263 -0.4947  0.2187
+ 1386TIP3   OH2 5605   4.909   2.777   0.173  0.1855 -0.6153 -0.0315
+ 1386TIP3    H1 5606   4.925   2.777   0.078  0.8516  0.5875  0.0828
+ 1386TIP3    H2 5607   4.907   2.684   0.196 -0.4377 -0.9422 -1.2961
+ 1387TIP3   OH2 5608   1.959   5.419   1.331 -0.9281  0.2999 -0.4099
+ 1387TIP3    H1 5609   2.029   5.442   1.392 -1.2951 -0.9175  0.4923
+ 1387TIP3    H2 5610   1.884   5.472   1.359 -0.6710  0.8394 -0.7346
+ 1388TIP3   OH2 5611   6.078   3.120   1.266 -0.6317  0.1943  0.2059
+ 1388TIP3    H1 5612   6.134   3.049   1.235  0.1971 -0.0161  2.0874
+ 1388TIP3    H2 5613   6.135   3.172   1.323 -1.2024  2.4307 -1.1844
+ 1389TIP3   OH2 5614   5.025   2.558   2.387 -0.3508  0.6941  0.6396
+ 1389TIP3    H1 5615   5.098   2.515   2.431 -1.3547 -0.0126  1.6320
+ 1389TIP3    H2 5616   4.995   2.624   2.449 -2.1168 -0.6742  1.2751
+ 1390TIP3   OH2 5617   1.775   2.383   6.252  0.5768 -0.2939  0.6534
+ 1390TIP3    H1 5618   1.834   2.457   6.243 -1.6332  1.3757 -0.6807
+ 1390TIP3    H2 5619   1.695   2.420   6.288 -1.1421 -1.7079 -1.5367
+ 1391TIP3   OH2 5620   4.183   4.374   0.273 -0.1764 -0.4326  0.7396
+ 1391TIP3    H1 5621   4.088   4.365   0.265 -0.4696  0.8044  2.3780
+ 1391TIP3    H2 5622   4.197   4.468   0.284  1.1120 -0.7275  1.7732
+ 1392TIP3   OH2 5623   6.627   2.680   0.839 -0.1329 -0.6535  0.4907
+ 1392TIP3    H1 5624   6.537   2.647   0.836  0.7479 -3.1483 -0.4814
+ 1392TIP3    H2 5625   6.627   2.745   0.909 -3.0139  0.4644 -0.4926
+ 1393TIP3   OH2 5626   3.948   1.360   6.805  0.1888  0.1059  0.0274
+ 1393TIP3    H1 5627   3.928   1.288   6.745 -1.5245  0.9999 -0.4864
+ 1393TIP3    H2 5628   3.881   1.426   6.788  1.4316  1.6274  0.8601
+ 1394TIP3   OH2 5629   4.659   2.065   1.498  0.2545  0.1932  0.0339
+ 1394TIP3    H1 5630   4.604   2.008   1.551 -0.1967  0.7196  0.1254
+ 1394TIP3    H2 5631   4.682   2.011   1.422 -0.2483 -0.0776  0.0746
+ 1395TIP3   OH2 5632   5.115   0.593   0.703 -0.0186 -0.2719 -0.0436
+ 1395TIP3    H1 5633   5.082   0.513   0.744  0.8759 -0.2792  0.6869
+ 1395TIP3    H2 5634   5.081   0.664   0.757  0.7942 -0.2599  0.4646
+ 1396TIP3   OH2 5635   4.001   4.626   0.181  0.4494  0.0505  0.1022
+ 1396TIP3    H1 5636   3.948   4.705   0.185  1.4335  0.7919 -1.3402
+ 1396TIP3    H2 5637   3.952   4.568   0.123  2.1003  1.4397 -2.7459
+ 1397TIP3   OH2 5638   5.478   2.469   0.090 -0.3596  0.2468 -0.9585
+ 1397TIP3    H1 5639   5.424   2.520   0.030 -0.4880  0.1077 -0.9624
+ 1397TIP3    H2 5640   5.499   2.530   0.161 -0.4957  0.3107 -0.9727
+ 1398TIP3   OH2 5641   3.666   0.758   5.782  0.4710 -0.4393 -0.0179
+ 1398TIP3    H1 5642   3.721   0.730   5.856  0.5584 -0.2300 -0.0029
+ 1398TIP3    H2 5643   3.716   0.829   5.742  0.4073 -0.5311 -0.2585
+ 1399TIP3   OH2 5644   4.616   1.869   0.358  0.3046 -0.2036  0.5588
+ 1399TIP3    H1 5645   4.606   1.818   0.278 -0.9162  1.2008 -0.2084
+ 1399TIP3    H2 5646   4.701   1.911   0.350  0.2225 -0.1353  0.0321
+ 1400TIP3   OH2 5647   1.407   4.488   5.024  0.6614  0.2067  0.2608
+ 1400TIP3    H1 5648   1.391   4.500   5.117 -0.6334 -1.0290  0.2232
+ 1400TIP3    H2 5649   1.376   4.569   4.984 -0.0518  0.1948  0.7818
+ 1401TIP3   OH2 5650   4.598   3.889   1.211  0.6518  0.0100  0.0358
+ 1401TIP3    H1 5651   4.579   3.977   1.179  0.4285  0.0562  0.2975
+ 1401TIP3    H2 5652   4.530   3.834   1.173  1.3585 -0.2136 -0.9172
+ 1402TIP3   OH2 5653   3.386   1.598   1.103 -0.7596  0.2725  0.2127
+ 1402TIP3    H1 5654   3.383   1.543   1.181 -1.5995 -2.1060 -1.4434
+ 1402TIP3    H2 5655   3.307   1.575   1.055 -1.0849  2.9107 -0.5668
+ 1403TIP3   OH2 5656   1.027   2.261   5.591  0.0231  0.4014 -0.0794
+ 1403TIP3    H1 5657   1.112   2.221   5.611  0.1759 -0.1246 -1.7595
+ 1403TIP3    H2 5658   0.976   2.191   5.552 -1.2195  0.7109  0.9440
+ 1404TIP3   OH2 5659   4.804   2.997   1.402 -0.0519 -0.5133  0.0642
+ 1404TIP3    H1 5660   4.819   2.952   1.319 -0.9298  2.5244 -1.8260
+ 1404TIP3    H2 5661   4.711   2.987   1.419 -0.1728  0.2002 -0.1532
+ 1405TIP3   OH2 5662   6.130   1.902   0.361 -0.0921 -0.1807  0.2817
+ 1405TIP3    H1 5663   6.187   1.838   0.403  3.2449  2.9106  0.7687
+ 1405TIP3    H2 5664   6.123   1.973   0.425 -0.0879  1.8633 -1.9135
+ 1406TIP3   OH2 5665   6.026   1.054   1.582  0.0591  0.0681 -0.3490
+ 1406TIP3    H1 5666   5.949   1.012   1.621  1.8081 -2.3138  0.6874
+ 1406TIP3    H2 5667   6.006   1.060   1.489 -1.1898 -0.9714 -0.1649
+ 1407TIP3   OH2 5668   6.677   1.380   6.669 -0.3629 -0.1959 -0.0475
+ 1407TIP3    H1 5669   6.699   1.473   6.673 -0.9098 -0.0903  0.5889
+ 1407TIP3    H2 5670   6.697   1.354   6.579  0.3842  0.3896 -0.0480
+ 1408TIP3   OH2 5671   5.857   2.804   0.155  0.6071  0.2615 -0.0114
+ 1408TIP3    H1 5672   5.888   2.870   0.093 -0.7663  1.4749  0.5670
+ 1408TIP3    H2 5673   5.787   2.758   0.108  0.0686  0.6904  0.3662
+ 1409TIP3   OH2 5674   4.728   2.582   4.772 -0.0328 -0.5277  0.2767
+ 1409TIP3    H1 5675   4.675   2.585   4.692 -1.2777 -0.9910  1.0527
+ 1409TIP3    H2 5676   4.704   2.661   4.820 -1.0183 -1.3892  1.2308
+ 1410TIP3   OH2 5677   6.801   4.301   0.705  0.2877  0.5429  0.0119
+ 1410TIP3    H1 5678   6.792   4.209   0.680 -0.1311  0.7145 -0.4678
+ 1410TIP3    H2 5679   6.816   4.299   0.800  0.8554 -0.0483 -0.0868
+ 1411TIP3   OH2 5680   5.687   3.269   1.770  0.0006 -0.3720  0.0507
+ 1411TIP3    H1 5681   5.781   3.255   1.774  0.0793 -0.1384 -1.0810
+ 1411TIP3    H2 5682   5.671   3.341   1.831  0.5622 -0.3558  0.1815
+ 1412TIP3   OH2 5683   3.594   3.893   0.714 -0.4289  0.1502  0.3979
+ 1412TIP3    H1 5684   3.546   3.976   0.718  0.6941  0.8410 -0.3094
+ 1412TIP3    H2 5685   3.587   3.858   0.803  0.9773  2.0897  1.3025
+ 1413TIP3   OH2 5686   5.267   1.835  -0.002  0.1104 -0.1639 -0.0676
+ 1413TIP3    H1 5687   5.215   1.912  -0.026  4.1504  1.9230 -2.8109
+ 1413TIP3    H2 5688   5.326   1.866   0.067 -0.8345 -1.9395  1.5991
+ 1414TIP3   OH2 5689   2.034   3.709   5.915  0.1306 -0.4574 -0.3347
+ 1414TIP3    H1 5690   2.109   3.706   5.855 -0.4597  1.2709 -1.2061
+ 1414TIP3    H2 5691   2.005   3.619   5.922  2.2076 -1.1403 -0.0932
+ 1415TIP3   OH2 5692   4.763   3.065   1.069 -0.2184  0.6302 -1.1257
+ 1415TIP3    H1 5693   4.805   3.019   0.996  0.4510  0.9764 -0.9662
+ 1415TIP3    H2 5694   4.833   3.118   1.107 -0.6598  0.7578 -0.4796
+ 1416TIP3   OH2 5695   6.849   1.573   1.367  0.4182  0.2698  1.0373
+ 1416TIP3    H1 5696   6.754   1.571   1.365  0.4332  0.9459 -0.6472
+ 1416TIP3    H2 5697   6.874   1.494   1.416 -0.9787 -0.1393  1.0949
+ 1417TIP3   OH2 5698   3.038   1.837   2.668  0.1826 -0.3795  0.9920
+ 1417TIP3    H1 5699   2.952   1.808   2.637  1.1808 -1.6538 -0.6543
+ 1417TIP3    H2 5700   3.068   1.900   2.603  1.7024 -2.0505  0.0424
+ 1418TIP3   OH2 5701   5.365   3.629   0.867  0.0725  0.0939 -0.1526
+ 1418TIP3    H1 5702   5.405   3.622   0.954  1.9315  0.0072 -0.9857
+ 1418TIP3    H2 5703   5.437   3.657   0.810 -1.1751  0.3674 -1.6267
+ 1419TIP3   OH2 5704   4.803   1.467   2.318  0.2780 -0.1415  0.2986
+ 1419TIP3    H1 5705   4.722   1.431   2.280  1.7413 -1.3050 -1.8721
+ 1419TIP3    H2 5706   4.868   1.398   2.302  1.6253  0.6357  2.3284
+ 1420TIP3   OH2 5707   3.591   3.142   0.150 -0.1483  0.0997 -0.0562
+ 1420TIP3    H1 5708   3.631   3.155   0.064 -0.3656 -2.5607 -0.6197
+ 1420TIP3    H2 5709   3.530   3.215   0.159 -0.6271  0.0698 -2.4853
+ 1421TIP3   OH2 5710   5.405   4.271   1.903 -0.7412  0.3029 -0.2600
+ 1421TIP3    H1 5711   5.417   4.289   1.809 -1.5811 -0.0609 -0.4377
+ 1421TIP3    H2 5712   5.395   4.176   1.908  0.8055  0.1582  0.3718
+ 1422TIP3   OH2 5713   5.555   1.670   5.910 -0.1670  0.2574 -0.0055
+ 1422TIP3    H1 5714   5.643   1.634   5.923  0.7311  1.6381 -1.9318
+ 1422TIP3    H2 5715   5.525   1.631   5.828 -0.4028  1.5035 -0.5262
+ 1423TIP3   OH2 5716   1.384   5.509   1.339  0.4725 -0.5696  0.2295
+ 1423TIP3    H1 5717   1.454   5.543   1.395  0.6621 -1.2876  0.4293
+ 1423TIP3    H2 5718   1.334   5.587   1.314 -0.0030 -0.2933  1.9350
+ 1424TIP3   OH2 5719   3.089   3.638   1.056 -0.4366  0.4228  0.7347
+ 1424TIP3    H1 5720   3.175   3.639   1.099 -0.6021  2.3133  1.0757
+ 1424TIP3    H2 5721   3.104   3.680   0.972 -0.3280 -2.3936 -0.7053
+ 1425TIP3   OH2 5722   5.762   3.492   2.649  0.1389  0.1777  0.1639
+ 1425TIP3    H1 5723   5.688   3.509   2.707 -0.7617  0.7083 -1.1147
+ 1425TIP3    H2 5724   5.798   3.409   2.680 -1.7657 -0.7181  0.0115
+ 1426TIP3   OH2 5725   4.381   1.882   1.474 -0.0238  0.4057 -0.0431
+ 1426TIP3    H1 5726   4.309   1.919   1.524  1.1805  3.9382 -0.7633
+ 1426TIP3    H2 5727   4.444   1.852   1.541 -0.8112  0.0530  0.5474
+ 1427TIP3   OH2 5728   2.096   3.337   1.987  0.2349 -0.2302  0.1654
+ 1427TIP3    H1 5729   2.175   3.363   2.035  0.9896  0.3476 -1.3502
+ 1427TIP3    H2 5730   2.056   3.420   1.960 -0.2018 -0.5475 -0.1688
+ 1428TIP3   OH2 5731   5.334   3.444   1.481  0.0791  0.5959  0.0318
+ 1428TIP3    H1 5732   5.413   3.392   1.498 -0.9279 -1.5499 -1.5591
+ 1428TIP3    H2 5733   5.266   3.399   1.531 -0.8652  0.1687 -1.6108
+ 1429TIP3   OH2 5734   5.496   4.633   0.190 -0.1252 -0.2658 -0.0220
+ 1429TIP3    H1 5735   5.461   4.574   0.257  0.2653  0.3469  0.7263
+ 1429TIP3    H2 5736   5.582   4.598   0.170  0.1182  0.0623  0.4430
+ 1430TIP3   OH2 5737   4.140   4.174   2.377  0.1100  0.6166  0.1766
+ 1430TIP3    H1 5738   4.072   4.121   2.417 -0.6155  0.1793 -1.5766
+ 1430TIP3    H2 5739   4.093   4.228   2.313  1.5881 -0.7408 -2.1056
+ 1431TIP3   OH2 5740   5.748   2.711   1.957  0.4698  0.3242  0.2900
+ 1431TIP3    H1 5741   5.657   2.708   1.926  0.5434 -0.6792  0.1680
+ 1431TIP3    H2 5742   5.800   2.696   1.878  0.7194  0.0712  0.5024
+ 1432TIP3   OH2 5743   0.075   1.571   1.099  0.5043 -0.1871  0.3574
+ 1432TIP3    H1 5744   0.051   1.555   1.191  0.7047 -0.7439  0.3179
+ 1432TIP3    H2 5745   0.049   1.491   1.054  1.9324 -0.5957  0.2229
+ 1433TIP3   OH2 5746   4.749   3.377   0.851 -0.3105 -0.4491 -0.3961
+ 1433TIP3    H1 5747   4.756   3.455   0.906 -1.4771 -0.7072  0.1316
+ 1433TIP3    H2 5748   4.671   3.332   0.883 -0.7152 -0.8652 -1.9498
+ 1434TIP3   OH2 5749   5.708   2.776   0.666 -0.1967  0.1695  0.1872
+ 1434TIP3    H1 5750   5.797   2.741   0.671 -1.6533 -4.0920 -1.3637
+ 1434TIP3    H2 5751   5.699   2.806   0.575 -0.4995  0.2184  0.2328
+ 1435TIP3   OH2 5752   4.001   3.222   6.710  0.1184 -0.0956  0.2235
+ 1435TIP3    H1 5753   4.066   3.268   6.764 -1.3534 -0.0219  1.9709
+ 1435TIP3    H2 5754   3.940   3.290   6.683 -0.1322 -0.4370 -0.0678
+ 1436TIP3   OH2 5755   5.136   3.347   6.349  0.9271  0.3206  0.7440
+ 1436TIP3    H1 5756   5.168   3.375   6.435  1.0063  1.2941  0.4008
+ 1436TIP3    H2 5757   5.141   3.425   6.295  1.1092 -0.3577 -0.2254
+ 1437TIP3   OH2 5758   5.151   1.525   1.107  0.5700 -0.0709 -0.0955
+ 1437TIP3    H1 5759   5.070   1.482   1.079  1.6851 -1.2095 -1.6448
+ 1437TIP3    H2 5760   5.142   1.535   1.201 -0.5757 -1.8714 -0.0002
+ 1438TIP3   OH2 5761   0.599   2.977   0.536  0.3639 -0.3831 -0.1091
+ 1438TIP3    H1 5762   0.534   2.945   0.598 -3.2176  2.5122 -2.1887
+ 1438TIP3    H2 5763   0.612   3.069   0.558  4.2225 -0.9756  0.5492
+ 1439TIP3   OH2 5764   4.734   0.549   1.937  0.3732 -0.4439 -0.1812
+ 1439TIP3    H1 5765   4.771   0.469   1.899 -0.8688 -0.7578 -0.7775
+ 1439TIP3    H2 5766   4.647   0.523   1.967  0.5245  0.3314  0.9773
+ 1440TIP3   OH2 5767   4.510   2.269   6.732 -0.1918 -0.1927  0.0898
+ 1440TIP3    H1 5768   4.496   2.361   6.711 -0.0709 -0.5997 -1.8805
+ 1440TIP3    H2 5769   4.484   2.261   6.824 -0.6703  1.6954  0.1410
+ 1441TIP3   OH2 5770   6.554   0.488   0.463  0.1045  0.3200  0.1583
+ 1441TIP3    H1 5771   6.549   0.408   0.516 -1.0107 -0.1129 -0.5739
+ 1441TIP3    H2 5772   6.467   0.494   0.423  0.5925  1.2381 -0.7550
+ 1442TIP3   OH2 5773   6.286   2.478   0.552 -0.2805 -0.0436 -0.0332
+ 1442TIP3    H1 5774   6.361   2.419   0.561 -0.6712 -0.5556 -0.1328
+ 1442TIP3    H2 5775   6.299   2.543   0.622  0.5464  0.1946 -0.3958
+ 1443TIP3   OH2 5776   6.102   0.415   1.521  0.3156 -0.5206  0.1747
+ 1443TIP3    H1 5777   6.190   0.393   1.551  0.2382  0.2876  1.0405
+ 1443TIP3    H2 5778   6.045   0.349   1.562  0.2723  0.2677  1.4279
+ 1444TIP3   OH2 5779   3.759   0.135   6.499  0.7879 -0.2260  0.1464
+ 1444TIP3    H1 5780   3.793   0.079   6.569 -1.4521 -1.8783 -0.0138
+ 1444TIP3    H2 5781   3.760   0.080   6.421  0.3073  0.5703 -0.4346
+ 1445TIP3   OH2 5782   2.461   1.430   5.978 -0.6211 -0.0459 -0.0288
+ 1445TIP3    H1 5783   2.486   1.501   6.037 -1.1508  0.6454 -0.6247
+ 1445TIP3    H2 5784   2.539   1.415   5.924 -0.5666  0.2074 -0.0216
+ 1446TIP3   OH2 5785   6.465   1.911   6.252 -0.3782 -0.1589 -0.3628
+ 1446TIP3    H1 5786   6.375   1.942   6.267  0.3319  1.7107  0.1947
+ 1446TIP3    H2 5787   6.469   1.893   6.158 -1.5666 -1.0191 -0.2576
+ 1447TIP3   OH2 5788   4.623   1.702   0.565 -0.1601 -0.1898  0.2152
+ 1447TIP3    H1 5789   4.535   1.664   0.576 -0.1454 -0.1674  0.4189
+ 1447TIP3    H2 5790   4.616   1.757   0.487  0.0102 -1.1577 -0.4931
+ 1448TIP3   OH2 5791   2.511   0.395   5.126 -0.0301 -0.2387  0.6888
+ 1448TIP3    H1 5792   2.487   0.433   5.042  3.3113  0.4398 -0.0290
+ 1448TIP3    H2 5793   2.559   0.315   5.104  1.1963  0.1293  1.9033
+ 1449TIP3   OH2 5794   4.257   2.087   2.424  0.1798  0.5086 -0.1124
+ 1449TIP3    H1 5795   4.167   2.072   2.454  0.3711 -2.1632 -0.7866
+ 1449TIP3    H2 5796   4.306   2.104   2.504 -1.0230  2.7800  0.2063
+ 1450TIP3   OH2 5797   4.884   0.111   5.769  0.7163 -0.0245 -0.3020
+ 1450TIP3    H1 5798   4.965   0.094   5.816  0.1989  1.4139  1.1648
+ 1450TIP3    H2 5799   4.829   0.035   5.787  1.5283 -0.7755 -0.9021
+ 1451TIP3   OH2 5800   5.179   3.558   2.136  0.2280  0.5460 -0.3068
+ 1451TIP3    H1 5801   5.129   3.557   2.055 -0.2501 -0.9376 -0.0097
+ 1451TIP3    H2 5802   5.225   3.474   2.136  0.1594  0.5053  0.9959
+ 1452TIP3   OH2 5803   6.489   0.932  -0.031  0.2356  0.1765  0.0596
+ 1452TIP3    H1 5804   6.561   0.890   0.017 -0.2409 -2.6748 -1.6145
+ 1452TIP3    H2 5805   6.418   0.938   0.033  0.8250 -0.0861  0.7579
+ 1453TIP3   OH2 5806   6.139   2.323   5.423 -0.4386  1.0031 -0.4274
+ 1453TIP3    H1 5807   6.198   2.398   5.416 -0.6987  1.5614  2.6674
+ 1453TIP3    H2 5808   6.188   2.258   5.473 -0.5223 -0.6351 -2.4019
+ 1454TIP3   OH2 5809   4.379   3.754   6.001 -0.3234 -0.3424 -0.0099
+ 1454TIP3    H1 5810   4.402   3.827   6.059  1.7575 -0.3430 -0.7909
+ 1454TIP3    H2 5811   4.307   3.789   5.947 -0.3996  0.5949  0.6775
+ 1455TIP3   OH2 5812   5.316   2.937   0.578  0.0869  0.3803  0.1269
+ 1455TIP3    H1 5813   5.228   2.974   0.576 -0.7041 -1.3438  1.7554
+ 1455TIP3    H2 5814   5.308   2.857   0.629  2.2498 -0.7641 -1.2110
+ 1456TIP3   OH2 5815   0.747   2.885   6.093  0.2011  0.0369 -0.0854
+ 1456TIP3    H1 5816   0.814   2.821   6.067  2.6599  1.3166  2.7900
+ 1456TIP3    H2 5817   0.666   2.835   6.096  1.5006 -2.2019 -1.0652
+ 1457TIP3   OH2 5818   0.969   6.514   6.834  0.3454 -0.5987 -0.0797
+ 1457TIP3    H1 5819   0.977   6.551   6.746 -1.5019  1.3089  0.5170
+ 1457TIP3    H2 5820   0.926   6.430   6.820  0.3356 -0.4472 -1.0218
+ 1458TIP3   OH2 5821   4.926   2.471   1.817  0.5502  0.4763  0.2108
+ 1458TIP3    H1 5822   4.937   2.379   1.792 -1.7246  0.8758 -2.5019
+ 1458TIP3    H2 5823   5.015   2.503   1.831  1.5998 -1.2845 -2.1378
+ 1459TIP3   OH2 5824   3.743   2.481   1.484  0.0863  0.2032  0.4352
+ 1459TIP3    H1 5825   3.683   2.533   1.538 -1.0188 -1.2012  0.5873
+ 1459TIP3    H2 5826   3.765   2.405   1.539  1.3892  0.3051  0.0731
+ 1460TIP3   OH2 5827   5.116   5.303   0.031  0.1491 -0.3413 -0.2610
+ 1460TIP3    H1 5828   5.111   5.208   0.042  1.0486 -0.4217 -0.4491
+ 1460TIP3    H2 5829   5.111   5.316  -0.063  1.3659 -0.3141 -0.3385
+ 1461TIP3   OH2 5830   3.614   2.487   1.132  0.1014 -0.1746  0.3059
+ 1461TIP3    H1 5831   3.594   2.579   1.115  0.6040 -0.2852 -0.9452
+ 1461TIP3    H2 5832   3.703   2.489   1.168 -0.3112 -0.0796  1.3185
+ 1462TIP3   OH2 5833   5.582   6.433   0.422 -0.1210 -0.4023  0.3945
+ 1462TIP3    H1 5834   5.518   6.486   0.374 -2.2791 -2.5236  0.8741
+ 1462TIP3    H2 5835   5.666   6.477   0.405 -1.6243  2.2576 -0.4922
+ 1463TIP3   OH2 5836   6.099   3.073   2.046  0.0005 -0.2280 -0.6991
+ 1463TIP3    H1 5837   6.177   3.057   1.992 -0.2036 -0.9367 -0.7930
+ 1463TIP3    H2 5838   6.047   2.993   2.037  0.1820 -0.5426  0.9082
+ 1464TIP3   OH2 5839   4.252   2.690   2.065 -0.0362 -0.3306 -0.2906
+ 1464TIP3    H1 5840   4.295   2.606   2.079 -0.2620 -0.4303 -0.1847
+ 1464TIP3    H2 5841   4.314   2.754   2.098 -0.8806 -0.6119  1.9337
+ 1465TIP3   OH2 5842   0.260   0.550   6.592 -0.0727  0.2173 -0.3518
+ 1465TIP3    H1 5843   0.169   0.569   6.569 -0.2858 -0.1828  0.1611
+ 1465TIP3    H2 5844   0.264   0.557   6.687 -0.3790 -3.1477 -0.0249
+ 1466TIP3   OH2 5845   5.938   3.601   1.944  0.4691 -0.3099 -0.1192
+ 1466TIP3    H1 5846   5.992   3.618   2.021 -1.9704  0.6086  1.4258
+ 1466TIP3    H2 5847   5.881   3.677   1.937  0.2895 -0.6199 -2.5579
+ 1467TIP3   OH2 5848   5.806   2.497   0.930 -0.0198 -0.2364  0.1641
+ 1467TIP3    H1 5849   5.833   2.574   0.981  2.3249 -1.6187  1.1401
+ 1467TIP3    H2 5850   5.842   2.512   0.843 -0.5454  0.2872  0.0363
+ 1468TIP3   OH2 5851   6.620   4.321   1.701  0.2577  0.1244 -0.5482
+ 1468TIP3    H1 5852   6.645   4.399   1.651  0.1699  0.8729  0.5606
+ 1468TIP3    H2 5853   6.524   4.325   1.705  0.2706  0.1267 -0.2341
+ 1469TIP3   OH2 5854   5.704   2.849   0.390  0.2795 -0.2583 -0.7148
+ 1469TIP3    H1 5855   5.709   2.943   0.409  1.3712 -0.1864 -1.2750
+ 1469TIP3    H2 5856   5.766   2.837   0.318  0.6600 -1.5288 -0.1832
+ 1470TIP3   OH2 5857   5.747   1.906   6.266  0.0176 -0.1345 -0.6011
+ 1470TIP3    H1 5858   5.723   1.993   6.296  1.8023  0.3661 -0.5643
+ 1470TIP3    H2 5859   5.699   1.846   6.323  0.8985  0.8088  1.1591
+ 1471TIP3   OH2 5860   4.108   3.496   1.823  0.1288 -0.6333 -0.6104
+ 1471TIP3    H1 5861   4.155   3.439   1.883 -1.4571 -2.0707 -0.6863
+ 1471TIP3    H2 5862   4.170   3.566   1.803  1.7163 -1.7181  0.3630
+ 1472TIP3   OH2 5863   3.989   3.613   2.087  0.1898 -0.2019  0.7097
+ 1472TIP3    H1 5864   3.999   3.580   1.998  1.1629  1.0191  0.3483
+ 1472TIP3    H2 5865   3.908   3.573   2.119 -0.4854 -0.1792 -0.9319
+ 1473TIP3   OH2 5866   5.693   1.077   0.829  0.8232  0.2786  0.1869
+ 1473TIP3    H1 5867   5.649   1.091   0.913  1.4769  0.4806  0.4996
+ 1473TIP3    H2 5868   5.647   1.004   0.789  0.3839  0.3091  0.6368
+ 1474TIP3   OH2 5869   0.301   4.280   4.746  0.2294 -0.1230 -0.3865
+ 1474TIP3    H1 5870   0.282   4.277   4.652 -2.9562  1.2046  0.1536
+ 1474TIP3    H2 5871   0.308   4.373   4.766 -1.3409 -0.2971  1.0718
+ 1475TIP3   OH2 5872   6.015   3.155   1.597 -0.4778 -0.4375  0.3204
+ 1475TIP3    H1 5873   6.076   3.206   1.544  0.7612 -0.8254  1.3511
+ 1475TIP3    H2 5874   6.016   3.197   1.683 -1.9829 -0.2029  0.2415
+ 1476TIP3   OH2 5875   0.617   4.160   0.202  0.0277  0.2427 -0.6077
+ 1476TIP3    H1 5876   0.604   4.194   0.290 -2.3268  1.5512 -1.4192
+ 1476TIP3    H2 5877   0.709   4.133   0.200  0.5213  1.6040  1.7460
+ 1477TIP3   OH2 5878   3.495   1.471   6.472 -0.2189  0.2469 -0.3166
+ 1477TIP3    H1 5879   3.558   1.501   6.537  0.1950 -0.5320 -0.3473
+ 1477TIP3    H2 5880   3.549   1.455   6.394 -0.5060 -0.1181 -0.4383
+ 1478TIP3   OH2 5881   5.065   1.265   0.391 -0.6911  0.2498 -0.0626
+ 1478TIP3    H1 5882   5.079   1.346   0.341 -1.6346  0.7718  0.5148
+ 1478TIP3    H2 5883   5.146   1.216   0.380 -0.2201  1.1523 -0.6508
+ 1479TIP3   OH2 5884   4.461   3.470   1.303  0.0204  0.0691  0.3365
+ 1479TIP3    H1 5885   4.419   3.474   1.217 -0.3783  2.8037  0.6154
+ 1479TIP3    H2 5886   4.529   3.404   1.294 -1.2287 -0.9728 -1.5411
+ 1480TIP3   OH2 5887   4.245   3.799   0.370 -0.2788  0.7849 -0.1084
+ 1480TIP3    H1 5888   4.204   3.718   0.343  1.2660 -0.1721  0.3303
+ 1480TIP3    H2 5889   4.181   3.867   0.350 -2.3572 -0.7271  1.2636
+ 1481TIP3   OH2 5890   5.592   3.342   1.522  0.7385  0.2994 -0.7279
+ 1481TIP3    H1 5891   5.641   3.275   1.475  4.0767  1.2244  1.2865
+ 1481TIP3    H2 5892   5.598   3.317   1.614 -2.0432  0.8377 -0.3565
+ 1482TIP3   OH2 5893   4.022   4.222   6.530  0.0003 -0.5148  0.3774
+ 1482TIP3    H1 5894   4.097   4.210   6.588  0.0109  0.0982  0.5020
+ 1482TIP3    H2 5895   4.041   4.167   6.454 -0.0428 -1.3743  0.9788
+ 1483TIP3   OH2 5896   6.295   1.295   1.407  0.1687 -0.2066  0.0032
+ 1483TIP3    H1 5897   6.363   1.228   1.401 -0.8118 -1.1757 -0.5658
+ 1483TIP3    H2 5898   6.256   1.282   1.493 -0.0119 -0.3716 -0.1014
+ 1484TIP3   OH2 5899   5.543   1.989   0.924 -0.5419 -0.2073  0.1703
+ 1484TIP3    H1 5900   5.562   2.045   0.849 -0.2153  0.6208  0.8609
+ 1484TIP3    H2 5901   5.624   1.939   0.938 -0.8188 -0.8274 -0.4166
+ 1485TIP3   OH2 5902   5.901   4.190   1.588 -0.0641 -0.2175  0.4554
+ 1485TIP3    H1 5903   5.898   4.220   1.679  0.0103 -1.0653  0.7405
+ 1485TIP3    H2 5904   5.977   4.235   1.551  0.0325 -0.0308  0.8750
+ 1486TIP3   OH2 5905   5.566   3.832   1.053  0.5478 -0.0273 -0.4373
+ 1486TIP3    H1 5906   5.617   3.756   1.079  1.0523  0.8935  1.3469
+ 1486TIP3    H2 5907   5.581   3.896   1.123 -2.9618  0.2860  0.1237
+ 1487TIP3   OH2 5908   3.741   3.455   2.102 -0.2085  0.2377  0.4327
+ 1487TIP3    H1 5909   3.692   3.465   2.184 -2.2366  2.1440 -0.9442
+ 1487TIP3    H2 5910   3.703   3.376   2.061 -1.9513  1.4888 -0.4467
+ 1488TIP3   OH2 5911   5.068   6.732   0.556  0.0874 -0.1592  0.2590
+ 1488TIP3    H1 5912   5.152   6.777   0.562  0.8136 -1.4082 -0.5164
+ 1488TIP3    H2 5913   5.043   6.718   0.648 -0.7469  2.8679  0.5520
+ 1489TIP3   OH2 5914   3.096   5.422   0.993  0.1405 -0.1347  0.4474
+ 1489TIP3    H1 5915   3.006   5.414   1.024 -0.7033  2.8655 -1.0451
+ 1489TIP3    H2 5916   3.101   5.365   0.917 -1.1881  1.3761 -0.8024
+ 1490TIP3   OH2 5917   4.701   0.763   1.547 -0.4204  0.1395  0.3160
+ 1490TIP3    H1 5918   4.794   0.738   1.554 -0.7350 -0.9777  0.5805
+ 1490TIP3    H2 5919   4.703   0.858   1.536  0.7934  0.0605 -0.2995
+ 1491TIP3   OH2 5920   5.542   6.849   0.672  0.0777 -0.4293 -0.8501
+ 1491TIP3    H1 5921   5.569   6.758   0.687 -0.5740 -0.5153 -0.1483
+ 1491TIP3    H2 5922   5.620   6.901   0.689  0.1934 -0.7820 -0.2969
+ 1492TIP3   OH2 5923   6.369   2.219   6.456 -0.2352  0.2863  0.0755
+ 1492TIP3    H1 5924   6.314   2.184   6.527  0.1548 -0.6195 -0.0689
+ 1492TIP3    H2 5925   6.309   2.230   6.383 -0.4186  0.1881  0.2092
+ 1493TIP3   OH2 5926   5.841   4.222   0.217  0.1058 -0.0653  0.0009
+ 1493TIP3    H1 5927   5.928   4.199   0.252  0.0757  2.6347  2.0367
+ 1493TIP3    H2 5928   5.858   4.295   0.157 -0.6716 -0.0079 -0.1508
+ 1494TIP3   OH2 5929   6.362   3.538   6.274  0.0228 -0.0719  0.4885
+ 1494TIP3    H1 5930   6.281   3.495   6.303  0.8451 -1.2555  1.0341
+ 1494TIP3    H2 5931   6.431   3.475   6.293  1.0317  0.7488 -0.4061
+ 1495TIP3   OH2 5932   3.934   4.555   2.215  0.1752 -0.9205 -0.0654
+ 1495TIP3    H1 5933   4.011   4.515   2.255  0.8461 -0.5483 -0.9615
+ 1495TIP3    H2 5934   3.927   4.511   2.130  1.0693  1.0257 -1.1741
+ 1496TIP3   OH2 5935   4.338   4.216   0.778 -0.1210  0.0379 -0.4126
+ 1496TIP3    H1 5936   4.287   4.289   0.814 -0.0747 -0.3590  0.4787
+ 1496TIP3    H2 5937   4.274   4.164   0.730  0.0649  1.3064 -2.1211
+ 1497TIP3   OH2 5938   5.305   3.093   1.641  0.0252 -0.3018 -0.1963
+ 1497TIP3    H1 5939   5.215   3.113   1.617  1.5105  1.9688 -4.3929
+ 1497TIP3    H2 5940   5.326   3.014   1.592 -0.0888 -1.6451  1.8849
+ 1498TIP3   OH2 5941   5.454   2.976   2.352 -0.0335  0.4486 -0.0960
+ 1498TIP3    H1 5942   5.416   2.914   2.414  0.0460  0.4503 -0.0454
+ 1498TIP3    H2 5943   5.383   2.994   2.290 -0.4802  1.3614  0.6729
+ 1499TIP3   OH2 5944   5.080   3.282   2.468  0.4439  0.1585 -0.1874
+ 1499TIP3    H1 5945   5.149   3.296   2.532 -0.9712 -0.1383  1.4488
+ 1499TIP3    H2 5946   5.126   3.269   2.385  2.3359 -0.2141  0.8898
+ 1500TIP3   OH2 5947   6.790   3.891   1.211 -0.4751 -0.0912 -0.0762
+ 1500TIP3    H1 5948   6.741   3.972   1.226  0.1411  0.4759 -1.0996
+ 1500TIP3    H2 5949   6.875   3.907   1.251  0.6638  0.8763 -2.7995
+ 1501TIP3   OH2 5950   5.335   1.920   2.074  0.2840 -0.2842 -0.1285
+ 1501TIP3    H1 5951   5.267   1.859   2.047 -1.1324  0.9849  0.5199
+ 1501TIP3    H2 5952   5.415   1.867   2.079 -1.2778 -2.4920  2.3521
+ 1502TIP3   OH2 5953   0.647   4.883   6.450  0.3083 -0.5372  0.2045
+ 1502TIP3    H1 5954   0.588   4.811   6.425 -1.9322  0.9777  0.9570
+ 1502TIP3    H2 5955   0.627   4.899   6.542  0.5762  1.2410 -0.0333
+ 1503TIP3   OH2 5956   1.293   3.500   1.480  0.3423  0.4563 -0.0372
+ 1503TIP3    H1 5957   1.340   3.563   1.534  1.6136 -0.1816 -0.3503
+ 1503TIP3    H2 5958   1.356   3.477   1.411 -0.5909 -0.1216 -0.7135
+ 1504TIP3   OH2 5959   3.968   2.863   1.639 -0.3682 -0.1850  0.1168
+ 1504TIP3    H1 5960   4.004   2.933   1.584  2.4514 -0.0987  1.9455
+ 1504TIP3    H2 5961   3.986   2.783   1.590 -0.5062  0.1011 -0.4102
+ 1505TIP3   OH2 5962   5.696   0.543   1.078  0.6138 -0.5221 -0.2140
+ 1505TIP3    H1 5963   5.746   0.462   1.075  0.1046 -0.9333  1.8468
+ 1505TIP3    H2 5964   5.605   0.515   1.080  0.3922  0.1463 -0.7877
+ 1506TIP3   OH2 5965   6.384   2.463   5.428 -0.0285 -0.2657 -0.2602
+ 1506TIP3    H1 5966   6.431   2.402   5.485 -1.9016 -2.1300 -0.6712
+ 1506TIP3    H2 5967   6.428   2.454   5.343  1.6451  1.2365  0.4090
+ 1507TIP3   OH2 5968   5.292   3.589   2.592  0.5580  0.6225 -0.1531
+ 1507TIP3    H1 5969   5.219   3.626   2.542 -1.2797 -1.4712  0.9250
+ 1507TIP3    H2 5970   5.289   3.495   2.575  2.7729  0.4492  0.2354
+ 1508TIP3   OH2 5971   3.642   1.330   1.953  0.2925  0.1531  0.2611
+ 1508TIP3    H1 5972   3.702   1.404   1.959  1.9480 -1.3018  2.6073
+ 1508TIP3    H2 5973   3.699   1.255   1.932 -1.1757 -0.6722 -0.8211
+ 1509TIP3   OH2 5974   5.156   4.041   1.487  0.1243  0.0601 -0.3933
+ 1509TIP3    H1 5975   5.068   4.077   1.490 -0.0263 -0.2178 -1.1130
+ 1509TIP3    H2 5976   5.155   3.983   1.410  1.1841  0.7262 -0.9321
+ 1510TIP3   OH2 5977   4.600   1.011   6.162 -0.1594 -0.5333  0.2721
+ 1510TIP3    H1 5978   4.643   1.011   6.077 -0.8956  0.1023 -0.1051
+ 1510TIP3    H2 5979   4.507   1.019   6.142 -0.3999 -1.1276  1.1047
+ 1511TIP3   OH2 5980   4.914   3.695   0.466 -0.1841  0.3703 -0.2983
+ 1511TIP3    H1 5981   4.995   3.660   0.503 -0.2264 -0.5236 -1.0206
+ 1511TIP3    H2 5982   4.941   3.774   0.420  0.7694 -1.3446 -2.8193
+ 1512TIP3   OH2 5983   6.798   1.593   1.731 -0.1979 -0.6687 -0.2227
+ 1512TIP3    H1 5984   6.812   1.653   1.657 -0.8350 -0.1710  0.0632
+ 1512TIP3    H2 5985   6.768   1.649   1.802  0.0245 -1.2121  0.2983
+ 1513TIP3   OH2 5986   5.800   3.485   6.364 -0.8036 -0.0207 -0.0075
+ 1513TIP3    H1 5987   5.708   3.479   6.337  0.0978 -1.4915 -2.9551
+ 1513TIP3    H2 5988   5.846   3.516   6.285  1.3247 -0.0135  1.2121
+ 1514TIP3   OH2 5989   5.137   1.257   3.169 -0.0208 -0.5494 -0.4396
+ 1514TIP3    H1 5990   5.110   1.256   3.077 -1.0437 -2.1450 -0.1512
+ 1514TIP3    H2 5991   5.056   1.243   3.218  0.5316  0.1749  0.7043
+ 1515TIP3   OH2 5992   5.595   1.486   1.803 -0.4756 -0.1772  0.0680
+ 1515TIP3    H1 5993   5.611   1.416   1.866  0.4572 -0.7759 -0.8314
+ 1515TIP3    H2 5994   5.645   1.560   1.837  0.6075 -0.7108 -0.3289
+ 1516TIP3   OH2 5995   6.113   2.079   0.565 -0.6003 -0.0970  0.3651
+ 1516TIP3    H1 5996   6.124   2.101   0.658  0.3952  0.2659  0.1632
+ 1516TIP3    H2 5997   6.116   2.164   0.520  1.3547 -0.4576 -0.2376
+ 1517TIP3   OH2 5998   4.920   3.460   1.389  0.3198  0.5372 -0.4717
+ 1517TIP3    H1 5999   4.870   3.409   1.325 -1.4518 -0.6353  1.7462
+ 1517TIP3    H2 6000   5.003   3.479   1.346 -0.2044 -1.5940 -2.5267
+ 1518TIP3   OH2 6001   6.504   1.352   1.777 -0.5849  0.1497 -0.5093
+ 1518TIP3    H1 6002   6.595   1.321   1.781 -0.4081  0.6083 -0.8419
+ 1518TIP3    H2 6003   6.452   1.272   1.773 -0.3655 -0.1892  2.4321
+ 1519TIP3   OH2 6004   3.930   1.503   2.861 -0.4695  0.5147 -0.1540
+ 1519TIP3    H1 6005   4.017   1.475   2.887 -0.9755 -1.3460 -0.4068
+ 1519TIP3    H2 6006   3.879   1.422   2.857 -1.8975  1.4469 -1.1787
+ 1520TIP3   OH2 6007   6.071   0.588   0.330 -0.1882 -0.2906 -0.2050
+ 1520TIP3    H1 6008   6.039   0.607   0.242 -1.6137 -1.5985  0.0091
+ 1520TIP3    H2 6009   6.036   0.658   0.384 -0.8234 -0.4860 -0.3633
+ 1521TIP3   OH2 6010   1.168   2.424   1.622  0.1792 -0.4278 -0.9610
+ 1521TIP3    H1 6011   1.119   2.431   1.540 -1.3061 -1.1621 -0.1575
+ 1521TIP3    H2 6012   1.119   2.478   1.684  2.7755  2.3145 -1.2044
+ 1522TIP3   OH2 6013   6.456   2.062   2.215  0.2496 -0.5797  0.0810
+ 1522TIP3    H1 6014   6.447   2.106   2.131  1.3308  3.2883  1.8903
+ 1522TIP3    H2 6015   6.538   2.013   2.208  0.6382  0.2005 -0.8679
+ 1523TIP3   OH2 6016   4.187   2.288   2.202  0.6608  0.5892 -0.3047
+ 1523TIP3    H1 6017   4.117   2.335   2.247 -1.1761 -0.5506 -1.8702
+ 1523TIP3    H2 6018   4.209   2.215   2.260  0.4010  0.8346  0.1042
+ 1524TIP3   OH2 6019   3.673   0.689   1.881 -0.3137  0.5292  0.7162
+ 1524TIP3    H1 6020   3.727   0.739   1.819  0.7016 -0.6651  0.6115
+ 1524TIP3    H2 6021   3.640   0.615   1.830 -0.3331  0.1110  1.3245
+ 1525TIP3   OH2 6022   4.506   3.569   2.067 -0.6230 -0.4035  0.4477
+ 1525TIP3    H1 6023   4.528   3.633   2.135  1.1983  1.9940 -2.2810
+ 1525TIP3    H2 6024   4.583   3.513   2.061 -0.7913 -0.6281  0.3976
+ 1526TIP3   OH2 6025   6.353   0.996   1.403  0.0258  0.0006 -0.0737
+ 1526TIP3    H1 6026   6.285   0.937   1.434 -0.8082  1.5642  1.1561
+ 1526TIP3    H2 6027   6.340   1.001   1.308 -0.0284 -1.5958 -0.1538
+ 1527TIP3   OH2 6028   4.727   0.934   2.424 -0.0842  0.0879  0.0231
+ 1527TIP3    H1 6029   4.766   0.977   2.348  0.4440 -0.7363 -0.1734
+ 1527TIP3    H2 6030   4.637   0.966   2.425 -0.5008 -0.9072 -1.7596
+ 1528TIP3   OH2 6031   3.339   0.821   1.317  0.1837  0.2004  0.2058
+ 1528TIP3    H1 6032   3.413   0.867   1.357 -1.3512  0.6869  2.6043
+ 1528TIP3    H2 6033   3.330   0.740   1.368 -2.2325  1.1593  1.4159
+ 1529TIP3   OH2 6034   5.036   1.379   6.728  0.4526 -0.2695 -0.0792
+ 1529TIP3    H1 6035   5.066   1.302   6.680  0.0677  0.9304 -2.3134
+ 1529TIP3    H2 6036   5.055   1.359   6.820  0.1466 -3.0947 -0.5914
+ 1530TIP3   OH2 6037   3.664   2.218   0.595 -0.5559  0.2854 -0.0418
+ 1530TIP3    H1 6038   3.617   2.143   0.630 -1.5355  1.9035  2.2521
+ 1530TIP3    H2 6039   3.745   2.222   0.647 -0.0401  0.2326 -0.8356
+ 1531TIP3   OH2 6040   6.274   3.506   1.434  0.1812  0.5200  0.5315
+ 1531TIP3    H1 6041   6.323   3.508   1.516 -1.0907  0.3366  1.3034
+ 1531TIP3    H2 6042   6.248   3.597   1.420  1.8247  0.8472 -0.5564
+ 1532TIP3   OH2 6043   3.699   2.245   1.647 -0.0797  0.4673 -0.3061
+ 1532TIP3    H1 6044   3.783   2.267   1.688 -0.1127  1.1085 -0.5706
+ 1532TIP3    H2 6045   3.694   2.150   1.652  0.7707  0.4089 -0.4865
+ 1533TIP3   OH2 6046   5.544   2.603   1.159  0.3767 -0.1247  0.1402
+ 1533TIP3    H1 6047   5.534   2.657   1.080 -1.9130  0.6304  0.8941
+ 1533TIP3    H2 6048   5.465   2.548   1.160  0.4545 -0.2252  1.8003
+ 1534TIP3   OH2 6049   6.224   3.373   5.861 -0.0329  0.3118  0.0206
+ 1534TIP3    H1 6050   6.130   3.390   5.851 -0.0360  1.5445  1.8619
+ 1534TIP3    H2 6051   6.255   3.356   5.772 -1.9219  0.3217 -0.6588
+ 1535TIP3   OH2 6052   5.323   2.766   5.632 -0.3697  0.4607 -0.2889
+ 1535TIP3    H1 6053   5.411   2.804   5.633  0.0491 -0.4258 -1.6414
+ 1535TIP3    H2 6054   5.290   2.778   5.721  1.5334 -0.1774  0.5248
+ 1536TIP3   OH2 6055   5.222   2.267   1.442 -0.8143  0.6343  0.1269
+ 1536TIP3    H1 6056   5.244   2.333   1.376 -1.8369 -1.5808 -2.5284
+ 1536TIP3    H2 6057   5.230   2.313   1.525  2.1078  3.1078 -1.4012
+ 1537TIP3   OH2 6058   4.246   2.129   6.752  0.3344 -0.5951  0.0861
+ 1537TIP3    H1 6059   4.156   2.115   6.782  0.6404 -1.3388  0.6531
+ 1537TIP3    H2 6060   4.244   2.216   6.711 -0.8573 -0.9915 -0.7342
+ 1538TIP3   OH2 6061   5.376   6.789   6.566  0.3733  0.1078  0.1875
+ 1538TIP3    H1 6062   5.466   6.811   6.590 -0.1556  1.0513  1.3600
+ 1538TIP3    H2 6063   5.329   6.872   6.570 -0.5595 -0.3887 -0.3663
+ 1539TIP3   OH2 6064   0.900   1.961   6.470 -1.1186  0.0834  0.3375
+ 1539TIP3    H1 6065   0.970   1.918   6.519 -1.5468  0.1844  1.0570
+ 1539TIP3    H2 6066   0.859   2.020   6.534 -1.8784 -0.0074 -0.0596
+ 1540TIP3   OH2 6067   3.462   2.247   1.401 -0.3360 -0.4957 -0.0262
+ 1540TIP3    H1 6068   3.439   2.340   1.411 -0.9804 -0.4211 -2.0338
+ 1540TIP3    H2 6069   3.557   2.245   1.414 -0.0307  0.7481 -1.7912
+ 1541TIP3   OH2 6070   5.924   2.721   3.294 -0.1333  0.3283  0.3439
+ 1541TIP3    H1 6071   5.856   2.666   3.254 -1.5113  1.8475  0.5497
+ 1541TIP3    H2 6072   5.879   2.766   3.366  1.7990 -0.7714  2.2804
+ 1542TIP3   OH2 6073   5.507   2.516   5.044 -0.1470  0.1680 -0.2210
+ 1542TIP3    H1 6074   5.512   2.611   5.048  1.1101  0.1833 -1.4666
+ 1542TIP3    H2 6075   5.595   2.486   5.069 -0.2416 -0.6114 -0.7848
+ 1543TIP3   OH2 6076   3.322   2.723   6.907 -0.2758  0.1822 -0.0045
+ 1543TIP3    H1 6077   3.227   2.715   6.911 -0.1704 -1.4638 -0.2203
+ 1543TIP3    H2 6078   3.346   2.678   6.826  0.6420  1.1548 -0.2883
+ 1544TIP3   OH2 6079   4.090   3.800   0.793 -0.1505  0.0822 -0.1021
+ 1544TIP3    H1 6080   4.099   3.730   0.857 -0.4384 -0.8317 -1.0610
+ 1544TIP3    H2 6081   4.176   3.806   0.752  0.2145  1.0852  0.7915
+ 1545TIP3   OH2 6082   5.415   2.214   6.438 -0.3243  0.1866 -0.0454
+ 1545TIP3    H1 6083   5.364   2.292   6.460 -2.2767 -1.5634  1.9769
+ 1545TIP3    H2 6084   5.351   2.154   6.399  0.7072 -1.1421  0.2511
+ 1546TIP3   OH2 6085   0.223   2.960   0.148  0.2000  0.1754 -0.0803
+ 1546TIP3    H1 6086   0.162   2.998   0.211 -0.4347  0.5026 -0.8859
+ 1546TIP3    H2 6087   0.168   2.937   0.073  0.7875 -1.1308 -0.1221
+ 1547TIP3   OH2 6088   3.287   3.109   0.816 -0.0204  0.1496  0.0120
+ 1547TIP3    H1 6089   3.369   3.136   0.857  0.2518  0.7231 -0.8767
+ 1547TIP3    H2 6090   3.249   3.191   0.784 -1.5712  0.0513  1.5304
+ 1548TIP3   OH2 6091   0.451   1.518   2.162 -0.0722  0.2284  0.7649
+ 1548TIP3    H1 6092   0.498   1.541   2.082 -1.0309  0.7507  0.3556
+ 1548TIP3    H2 6093   0.472   1.425   2.176 -0.9439 -0.2220 -0.8023
+ 1549TIP3   OH2 6094   6.245   6.879   6.807  0.0487  0.1954  0.0188
+ 1549TIP3    H1 6095   6.297   6.902   6.884  0.4090  1.9644 -0.7301
+ 1549TIP3    H2 6096   6.259   6.785   6.796 -0.2936 -0.1733  2.3085
+ 1550TIP3   OH2 6097   5.761   2.496   0.146 -0.1153  0.4839 -0.3597
+ 1550TIP3    H1 6098   5.824   2.426   0.128  1.6545  1.8095  0.5180
+ 1550TIP3    H2 6099   5.695   2.487   0.078  0.9421 -1.0418 -1.2170
+ 1551TIP3   OH2 6100   6.148   2.627   6.743 -0.3089 -0.1937 -0.1766
+ 1551TIP3    H1 6101   6.076   2.669   6.697 -0.7719  1.1934  1.7704
+ 1551TIP3    H2 6102   6.117   2.538   6.760 -1.7212  0.5158  0.9928
+ 1552TIP3   OH2 6103   6.703   3.751   2.481  0.3026 -0.3848 -0.4819
+ 1552TIP3    H1 6104   6.705   3.730   2.575 -2.0966  1.9538  0.1750
+ 1552TIP3    H2 6105   6.793   3.775   2.460  0.2944  2.0960  2.0190
+ 1553TIP3   OH2 6106   4.895   3.586   6.722  0.1218  0.0243 -0.3513
+ 1553TIP3    H1 6107   4.940   3.612   6.803 -0.0334 -1.1524  0.1269
+ 1553TIP3    H2 6108   4.809   3.627   6.729  0.2622  0.2804 -0.1160
+ 1554TIP3   OH2 6109   4.831   4.524   1.324 -0.4948  0.4476  0.2545
+ 1554TIP3    H1 6110   4.838   4.508   1.418  0.7188 -1.7803 -0.1764
+ 1554TIP3    H2 6111   4.921   4.544   1.297 -0.6248 -0.1990 -0.6487
+ 1555TIP3   OH2 6112   5.247   2.459   1.029  0.2855 -0.4281  0.5084
+ 1555TIP3    H1 6113   5.277   2.482   0.941  0.9592  0.6310  1.0108
+ 1555TIP3    H2 6114   5.159   2.423   1.016  0.2806 -0.0338 -0.5651
+ 1556TIP3   OH2 6115   4.410   1.286   5.583  0.5575  0.4843 -0.0249
+ 1556TIP3    H1 6116   4.465   1.294   5.505  0.2744 -0.1768 -0.2927
+ 1556TIP3    H2 6117   4.323   1.315   5.555  0.0086 -1.5224 -0.4602
+ 1557TIP3   OH2 6118   4.348   2.547   1.442  0.4019 -0.4097 -0.1219
+ 1557TIP3    H1 6119   4.372   2.581   1.355 -1.6922  0.6314 -0.3277
+ 1557TIP3    H2 6120   4.336   2.453   1.429 -0.8048 -0.1211 -1.1930
+ 1558TIP3   OH2 6121   5.068   2.242   6.831  1.0434 -0.2294  0.3720
+ 1558TIP3    H1 6122   5.066   2.149   6.852  0.2079 -0.3768 -0.3252
+ 1558TIP3    H2 6123   5.136   2.278   6.887  1.2576 -1.2328  0.7623
+ 1559TIP3   OH2 6124   4.789   0.971   1.850 -0.5855 -0.3278  0.0257
+ 1559TIP3    H1 6125   4.774   0.903   1.915 -1.0370 -0.6817 -0.4382
+ 1559TIP3    H2 6126   4.724   1.039   1.870 -0.2223 -0.0954  0.4086
+ 1560TIP3   OH2 6127   4.636   2.191   2.272  0.1653  0.0698 -0.2041
+ 1560TIP3    H1 6128   4.662   2.131   2.342 -0.6850 -0.2391 -0.1477
+ 1560TIP3    H2 6129   4.689   2.269   2.286  2.7761 -1.4025 -1.4868
+ 1561TIP3   OH2 6130   4.569   2.590   2.332 -0.4197 -0.0326  0.3397
+ 1561TIP3    H1 6131   4.559   2.672   2.380  0.1732 -0.3709  1.0655
+ 1561TIP3    H2 6132   4.609   2.615   2.249 -1.5652  0.5783 -0.0296
+ 1562TIP3   OH2 6133   6.112   4.944   2.049  0.1503  0.0918  0.0204
+ 1562TIP3    H1 6134   6.106   5.034   2.081 -0.3780 -0.0306  0.2671
+ 1562TIP3    H2 6135   6.027   4.905   2.071  0.1140 -0.2575 -0.7217
+ 1563TIP3   OH2 6136   3.948   3.227   1.261  0.4809  0.3385  0.1683
+ 1563TIP3    H1 6137   3.999   3.307   1.248  1.0841  0.0729  0.8291
+ 1563TIP3    H2 6138   3.982   3.166   1.196 -0.7623  0.9759 -1.0919
+ 1564TIP3   OH2 6139   0.357   3.317   2.207  0.6938  0.1208 -0.1566
+ 1564TIP3    H1 6140   0.366   3.289   2.298 -2.1303  0.3446  0.2511
+ 1564TIP3    H2 6141   0.278   3.273   2.176  0.0403  2.2212 -1.6345
+ 1565TIP3   OH2 6142   0.081   4.927   0.596 -0.7568 -0.5578 -0.0190
+ 1565TIP3    H1 6143   0.102   4.835   0.583 -0.2453 -0.2685 -1.3741
+ 1565TIP3    H2 6144   0.144   4.974   0.540 -0.2308  0.6580  1.5716
+ 1566TIP3   OH2 6145   5.237   6.297   1.546 -0.3121  0.0636  0.2933
+ 1566TIP3    H1 6146   5.267   6.323   1.634  1.2842  0.1701 -0.2592
+ 1566TIP3    H2 6147   5.222   6.202   1.553  0.0081  0.0359  0.6303
+ 1567TIP3   OH2 6148   4.543   4.599   1.775 -0.1791 -0.5985 -0.3632
+ 1567TIP3    H1 6149   4.552   4.635   1.863  3.4873  2.1021 -1.6984
+ 1567TIP3    H2 6150   4.457   4.628   1.746 -0.1054  1.2510  1.1608
+ 1568TIP3   OH2 6151   1.709   2.459   0.826  0.1070 -0.0790 -0.3497
+ 1568TIP3    H1 6152   1.677   2.370   0.819 -0.2763  0.0977 -0.8270
+ 1568TIP3    H2 6153   1.797   2.456   0.788  0.3684 -0.3995  0.2741
+ 1569TIP3   OH2 6154   2.674   1.094   4.349 -0.5405 -0.3026 -0.3203
+ 1569TIP3    H1 6155   2.635   1.023   4.297 -0.6072 -0.0409 -0.6291
+ 1569TIP3    H2 6156   2.688   1.165   4.286  0.7061 -0.4957 -0.2854
+ 1570TIP3   OH2 6157   5.612   2.316   1.086  0.3392  0.0050  0.5832
+ 1570TIP3    H1 6158   5.640   2.394   1.038 -0.3973  0.4424  0.8644
+ 1570TIP3    H2 6159   5.693   2.269   1.105  0.5840 -0.7024 -2.0033
+ 1571TIP3   OH2 6160   5.230   0.978   6.859  1.3093 -0.2530  0.0917
+ 1571TIP3    H1 6161   5.281   1.058   6.869  1.5234 -0.4763  0.7952
+ 1571TIP3    H2 6162   5.178   0.993   6.780 -0.7989  1.7254  1.7994
+ 1572TIP3   OH2 6163   4.835   2.837   0.457  0.5310  0.6367  0.2847
+ 1572TIP3    H1 6164   4.802   2.908   0.401  0.6983  0.2027 -0.3693
+ 1572TIP3    H2 6165   4.885   2.781   0.398 -1.0117 -0.9464  0.4551
+ 1573TIP3   OH2 6166   3.056   2.734   6.780 -0.8776  0.8042  0.6999
+ 1573TIP3    H1 6167   3.073   2.653   6.733 -0.9249  0.4533  1.2868
+ 1573TIP3    H2 6168   2.962   2.749   6.769 -0.9723  0.4833  1.0595
+ 1574TIP3   OH2 6169   5.772   2.492   1.263 -0.3352 -0.2867 -0.4632
+ 1574TIP3    H1 6170   5.864   2.503   1.240 -0.3879 -2.1611 -1.6660
+ 1574TIP3    H2 6171   5.723   2.533   1.192 -0.4744  3.3748  1.6149
+ 1575TIP3   OH2 6172   5.856   2.954   1.261 -0.0079  0.6330 -0.0019
+ 1575TIP3    H1 6173   5.874   2.916   1.176  1.7116  0.0982  0.5764
+ 1575TIP3    H2 6174   5.938   2.995   1.287 -1.4242  3.6913 -0.0380
+ 1576TIP3   OH2 6175   5.873   2.152   6.647  0.3374 -0.1788  0.5806
+ 1576TIP3    H1 6176   5.867   2.143   6.743 -4.1355 -0.0525  0.3894
+ 1576TIP3    H2 6177   5.814   2.085   6.613  0.9584  0.5832 -2.1008
+ 1577TIP3   OH2 6178   3.401   4.633   1.270  0.0219 -0.0119  0.3088
+ 1577TIP3    H1 6179   3.379   4.679   1.351  0.8827 -2.4102  1.9390
+ 1577TIP3    H2 6180   3.487   4.667   1.245 -0.0870  0.4650  0.5792
+ 1578TIP3   OH2 6181   6.007   2.025   5.683 -0.1048 -0.3497  0.3508
+ 1578TIP3    H1 6182   6.075   1.972   5.723 -0.9966 -0.6202  1.5304
+ 1578TIP3    H2 6183   5.935   1.965   5.668 -0.4571  0.1462  0.0335
+ 1579TIP3   OH2 6184   4.867   0.904   0.573  0.1658  0.5282 -1.1656
+ 1579TIP3    H1 6185   4.958   0.889   0.548 -0.2611 -1.3199 -1.6958
+ 1579TIP3    H2 6186   4.861   0.872   0.663  0.1217  1.0042 -0.9961
+ 1580TIP3   OH2 6187   0.251   4.299   0.926  0.0575 -0.0973  0.0029
+ 1580TIP3    H1 6188   0.172   4.352   0.931 -0.0801 -0.1795 -1.1651
+ 1580TIP3    H2 6189   0.321   4.356   0.958 -0.0009  0.9830 -1.7570
+ 1581TIP3   OH2 6190   6.025   4.339   2.869  0.1239  0.2593  0.3612
+ 1581TIP3    H1 6191   5.991   4.339   2.780  0.3029  0.3651  0.2926
+ 1581TIP3    H2 6192   6.097   4.276   2.868 -1.2970 -1.4447  0.9826
+ 1582TIP3   OH2 6193   3.684   1.055   1.759 -0.3644  0.5279 -0.0669
+ 1582TIP3    H1 6194   3.753   1.062   1.826 -0.6009  1.4579  0.0872
+ 1582TIP3    H2 6195   3.704   0.973   1.713 -0.5387 -0.4231  1.5171
+ 1583TIP3   OH2 6196   5.580   0.398   6.709 -0.0250  0.0027  0.3471
+ 1583TIP3    H1 6197   5.535   0.359   6.784  0.2180 -2.0160 -0.5284
+ 1583TIP3    H2 6198   5.511   0.410   6.643 -0.2006  1.5808  0.8081
+ 1584TIP3   OH2 6199   5.991   3.677   2.798 -0.0913  0.4989 -0.4579
+ 1584TIP3    H1 6200   5.920   3.664   2.735 -1.0545 -1.9643  1.0246
+ 1584TIP3    H2 6201   6.070   3.655   2.749 -0.7400 -0.5744 -1.0546
+ 1585TIP3   OH2 6202   0.270   1.205   2.858 -0.2825 -0.5271 -0.5356
+ 1585TIP3    H1 6203   0.349   1.166   2.820 -0.0352 -0.9630  0.4060
+ 1585TIP3    H2 6204   0.255   1.284   2.806  1.5871  0.3362  0.1635
+ 1586TIP3   OH2 6205   4.099   3.895   1.802 -0.0134 -0.3419  0.3604
+ 1586TIP3    H1 6206   4.125   3.963   1.741 -0.6692  0.2613  0.7410
+ 1586TIP3    H2 6207   4.079   3.819   1.747 -0.2208  0.0714 -0.1331
+ 1587TIP3   OH2 6208   0.880   3.029   5.572 -0.6983  0.3603 -0.1637
+ 1587TIP3    H1 6209   0.818   3.036   5.644 -0.6019  2.5000 -0.2468
+ 1587TIP3    H2 6210   0.966   3.038   5.613 -0.6980  2.9819 -0.6760
+ 1588TIP3   OH2 6211   6.027   4.540   2.267 -0.5198  0.1283  0.3739
+ 1588TIP3    H1 6212   6.099   4.523   2.328  0.3449  0.0882 -0.6343
+ 1588TIP3    H2 6213   5.974   4.606   2.311  0.5191  0.6759  0.8378
+ 1589TIP3   OH2 6214   6.080   2.944   6.420  0.5710  1.0733  0.2503
+ 1589TIP3    H1 6215   6.155   2.963   6.476  2.0601 -0.8325 -1.0080
+ 1589TIP3    H2 6216   6.114   2.883   6.354 -1.2520  2.7851 -2.4067
+ 1590TIP3   OH2 6217   6.231   0.032   1.923  0.4526  0.2980  0.0563
+ 1590TIP3    H1 6218   6.324   0.020   1.940  0.1158 -1.6608  0.7100
+ 1590TIP3    H2 6219   6.226   0.049   1.829  1.2452 -3.1194 -0.6962
+ 1591TIP3   OH2 6220   0.312   3.388   6.019 -0.1059  0.4341  0.6453
+ 1591TIP3    H1 6221   0.374   3.329   6.062  0.4121  0.2534 -0.3451
+ 1591TIP3    H2 6222   0.304   3.354   5.930 -0.0815  1.6435  0.1721
+ 1592TIP3   OH2 6223   1.169   2.274   1.368 -0.1133  0.0594 -0.3050
+ 1592TIP3    H1 6224   1.115   2.353   1.362 -1.3039 -0.7041  0.2850
+ 1592TIP3    H2 6225   1.136   2.217   1.298  1.1851  0.3349 -1.1642
+ 1593TIP3   OH2 6226   1.943   6.530   1.739 -0.0280  0.4921 -0.2735
+ 1593TIP3    H1 6227   2.005   6.534   1.812 -0.4009  0.8579  0.0245
+ 1593TIP3    H2 6228   1.998   6.528   1.661  0.3955 -1.2031  0.0623
+ 1594TIP3   OH2 6229   5.967   4.095   1.294 -0.6553  1.0184  0.4614
+ 1594TIP3    H1 6230   5.974   4.102   1.389  0.7764  1.4601  0.3491
+ 1594TIP3    H2 6231   5.930   4.008   1.278  0.6790  0.2501  1.3929
+ 1595TIP3   OH2 6232   0.883   3.252   0.169  0.0075  0.1026 -0.3788
+ 1595TIP3    H1 6233   0.962   3.280   0.122 -0.1427 -0.5087 -1.0118
+ 1595TIP3    H2 6234   0.913   3.181   0.225 -0.0218  0.0977 -0.3693
+ 1596TIP3   OH2 6235   5.885   2.325   1.545 -0.3170 -0.4894 -0.5466
+ 1596TIP3    H1 6236   5.980   2.321   1.534 -0.6078 -1.7988 -3.1361
+ 1596TIP3    H2 6237   5.871   2.311   1.638  2.0441 -0.2074 -0.1177
+ 1597TIP3   OH2 6238   0.597   3.455   5.921 -0.2686  0.1974 -0.3757
+ 1597TIP3    H1 6239   0.515   3.407   5.906 -1.0442  1.3406  0.1881
+ 1597TIP3    H2 6240   0.570   3.536   5.965  1.4522 -0.7962  2.6722
+ 1598TIP3   OH2 6241   6.590   2.953   6.404 -0.3453  0.1729 -0.0225
+ 1598TIP3    H1 6242   6.640   3.032   6.386 -0.5488  0.1987 -0.4931
+ 1598TIP3    H2 6243   6.547   2.970   6.488 -0.5531  0.6454 -0.2250
+ 1599TIP3   OH2 6244   6.341   2.653   0.760 -0.5309  0.8573  0.5148
+ 1599TIP3    H1 6245   6.293   2.623   0.838  0.7947  1.8497  1.7464
+ 1599TIP3    H2 6246   6.303   2.738   0.740 -0.6759  0.7296  0.2460
+ 1600TIP3   OH2 6247   6.750   4.899   1.060 -0.1275 -0.2510 -0.2903
+ 1600TIP3    H1 6248   6.676   4.844   1.085  1.1285 -1.5233  0.8000
+ 1600TIP3    H2 6249   6.802   4.843   1.002  0.8052  0.0195  0.2757
+ 1601TIP3   OH2 6250   6.185   2.047   6.851 -0.3851  0.0526  0.3755
+ 1601TIP3    H1 6251   6.253   1.987   6.881  0.3435  0.5298 -0.2905
+ 1601TIP3    H2 6252   6.202   2.129   6.898 -2.0644 -0.5685  2.1458
+ 1602TIP3   OH2 6253   0.387   4.295   6.432  0.2530 -0.1710  0.7716
+ 1602TIP3    H1 6254   0.443   4.225   6.465  1.7568  0.3054 -0.7168
+ 1602TIP3    H2 6255   0.447   4.367   6.414 -1.2626  1.5090  2.1980
+ 1603TIP3   OH2 6256   5.901   1.322   0.504  0.4154  0.1507  0.0403
+ 1603TIP3    H1 6257   5.977   1.268   0.523  0.4200 -0.3217 -1.2379
+ 1603TIP3    H2 6258   5.870   1.353   0.589  0.6030 -1.6138  0.7564
+ 1604TIP3   OH2 6259   0.638   1.421   5.286 -0.0669  0.1161  0.1735
+ 1604TIP3    H1 6260   0.678   1.362   5.223 -0.6928 -1.4734  1.2407
+ 1604TIP3    H2 6261   0.597   1.364   5.350 -0.9360  1.7132  1.0763
+ 1605TIP3   OH2 6262   6.463   1.447   0.159  0.8271 -0.5888 -0.2340
+ 1605TIP3    H1 6263   6.541   1.500   0.175 -0.0944  0.1552  1.9560
+ 1605TIP3    H2 6264   6.414   1.451   0.241 -0.8014 -2.2600 -1.0917
+ 1606TIP3   OH2 6265   5.849   5.325   1.592  0.0040  0.3271  0.1020
+ 1606TIP3    H1 6266   5.895   5.332   1.675  0.3516  1.6664 -0.1893
+ 1606TIP3    H2 6267   5.870   5.237   1.560 -1.8702 -1.0183  2.4256
+ 1607TIP3   OH2 6268   5.938   3.397   1.121 -0.3824 -0.2136 -0.4407
+ 1607TIP3    H1 6269   5.980   3.323   1.166 -1.4743 -1.3341 -1.2156
+ 1607TIP3    H2 6270   6.002   3.424   1.054  0.7485  0.6938  0.9832
+ 1608TIP3   OH2 6271   6.776   2.843   0.645  0.4285 -0.1321  0.1845
+ 1608TIP3    H1 6272   6.725   2.899   0.587 -0.9953 -1.1072  0.4650
+ 1608TIP3    H2 6273   6.717   2.823   0.718  1.4097 -0.8017  0.8199
+ 1609TIP3   OH2 6274   0.938   2.782   3.544  0.1341 -0.2788 -0.1260
+ 1609TIP3    H1 6275   0.987   2.700   3.538 -0.3661 -0.6843  1.0681
+ 1609TIP3    H2 6276   0.976   2.827   3.620 -1.7794 -0.9098  1.2305
+ 1610TIP3   OH2 6277   1.319   3.005   3.958  0.7172 -0.6416 -0.0018
+ 1610TIP3    H1 6278   1.357   3.088   3.931  2.4058 -0.5571  2.5153
+ 1610TIP3    H2 6279   1.241   3.029   4.008  0.8501 -0.5892  0.1806
+ 1611TIP3   OH2 6280   1.591   4.372   0.976  0.2165  0.0450 -0.3241
+ 1611TIP3    H1 6281   1.677   4.413   0.977 -0.4179  1.4125  0.7454
+ 1611TIP3    H2 6282   1.538   4.429   0.920  0.0034 -0.7820 -0.9708
+ 1612TIP3   OH2 6283   6.831   4.303   0.978 -0.2055 -0.2321 -0.7137
+ 1612TIP3    H1 6284   6.775   4.225   0.980 -0.6085  0.0792  0.0283
+ 1612TIP3    H2 6285   6.777   4.373   1.015  0.5373  0.1577 -0.3631
+ 1613TIP3   OH2 6286   0.828   3.860   0.846  0.3725  0.1001  0.0230
+ 1613TIP3    H1 6287   0.877   3.781   0.822  0.3864 -0.0092  0.4156
+ 1613TIP3    H2 6288   0.830   3.862   0.941  1.4618  1.2505 -0.0046
+ 1614TIP3   OH2 6289   6.523   3.555   0.846 -0.0130  0.4712  0.0721
+ 1614TIP3    H1 6290   6.564   3.625   0.895 -2.2525  0.2114  2.4154
+ 1614TIP3    H2 6291   6.559   3.474   0.883 -0.4904  0.3036  0.1749
+ 1615TIP3   OH2 6292   1.071   3.039   0.535 -0.1221  0.5656  0.2942
+ 1615TIP3    H1 6293   1.150   3.090   0.521  1.4580 -1.0090  2.9587
+ 1615TIP3    H2 6294   1.049   3.053   0.627 -1.7618 -0.6180  0.1127
+ 1616TIP3   OH2 6295   5.362   5.733   6.118  0.2373  0.0880  0.5205
+ 1616TIP3    H1 6296   5.401   5.650   6.091  0.6205  0.4557 -0.0662
+ 1616TIP3    H2 6297   5.271   5.711   6.137 -0.1826 -0.1216 -1.5411
+ 1617TIP3   OH2 6298   4.671   3.300   5.276  0.3693 -0.0474  0.4884
+ 1617TIP3    H1 6299   4.737   3.232   5.284  1.0712  0.7194  1.2859
+ 1617TIP3    H2 6300   4.720   3.379   5.251 -0.2613  0.4796  0.8925
+ 1618TIP3   OH2 6301   0.049   2.853   2.563 -0.1893 -0.0561  0.0278
+ 1618TIP3    H1 6302  -0.046   2.850   2.555 -0.2828  0.9857  0.5946
+ 1618TIP3    H2 6303   0.081   2.867   2.474 -0.6374  0.8937  0.0149
+ 1619TIP3   OH2 6304   6.208   4.104   1.643  0.1639 -0.1667 -0.3546
+ 1619TIP3    H1 6305   6.263   4.181   1.659 -0.5730  0.1254  0.8352
+ 1619TIP3    H2 6306   6.215   4.052   1.723 -2.2955  0.5238  0.3549
+ 1620TIP3   OH2 6307   1.904   4.654   0.386  1.0622  0.4417 -0.1361
+ 1620TIP3    H1 6308   1.998   4.636   0.378  1.0876  1.1842 -1.7402
+ 1620TIP3    H2 6309   1.862   4.570   0.365  1.3774 -0.2409  1.8762
+ 1621TIP3   OH2 6310   6.881   3.375   0.236  0.0118  0.5518 -0.1763
+ 1621TIP3    H1 6311   6.790   3.351   0.215 -1.1766  3.5076  1.3768
+ 1621TIP3    H2 6312   6.911   3.305   0.294 -0.4848 -1.6044 -2.4136
+ 1622TIP3   OH2 6313   0.214   2.550   0.667 -0.2554  0.1861  0.3507
+ 1622TIP3    H1 6314   0.199   2.549   0.762 -1.0883 -0.4103  0.2167
+ 1622TIP3    H2 6315   0.303   2.515   0.657 -0.1579  0.2647  0.9094
+ 1623TIP3   OH2 6316   0.154   1.841   0.219  0.4298 -0.4522  1.1050
+ 1623TIP3    H1 6317   0.093   1.860   0.291 -1.1439 -1.0762 -0.0397
+ 1623TIP3    H2 6318   0.109   1.774   0.167  0.1021  2.2902 -2.2652
+ 1624TIP3   OH2 6319   0.720   0.485   4.125  0.0133 -0.3033 -0.1092
+ 1624TIP3    H1 6320   0.708   0.430   4.203  1.8715  2.3716  2.1518
+ 1624TIP3    H2 6321   0.666   0.562   4.141 -0.6188 -0.3140 -2.0938
+ 1625TIP3   OH2 6322   2.146   2.300   6.113  0.1707  0.3305 -0.5436
+ 1625TIP3    H1 6323   2.100   2.328   6.034  0.7167 -0.3287 -1.1030
+ 1625TIP3    H2 6324   2.197   2.223   6.085  0.4101  0.1299  0.4320
+ 1626TIP3   OH2 6325   0.124   2.479   5.870  0.9386 -0.2936 -0.0190
+ 1626TIP3    H1 6326   0.074   2.530   5.933 -1.8422 -1.7900 -0.9202
+ 1626TIP3    H2 6327   0.095   2.511   5.785 -0.2876 -2.7917 -0.5785
+ 1627TIP3   OH2 6328   6.112   3.370   2.765  0.2596 -0.0372 -0.4148
+ 1627TIP3    H1 6329   6.083   3.351   2.675 -0.4462 -0.9102 -0.0142
+ 1627TIP3    H2 6330   6.094   3.463   2.777 -0.7006 -0.1633 -0.8074
+ 1628TIP3   OH2 6331   0.635   2.713   1.387  0.5520  0.2504 -0.1129
+ 1628TIP3    H1 6332   0.674   2.794   1.355  1.9154 -0.4024 -0.1700
+ 1628TIP3    H2 6333   0.642   2.653   1.313 -1.2491  0.3219 -0.3652
+ 1629TIP3   OH2 6334   1.374   2.498   5.389  0.3246  0.2717 -0.1052
+ 1629TIP3    H1 6335   1.315   2.431   5.356 -1.4585  1.1576  1.2270
+ 1629TIP3    H2 6336   1.408   2.463   5.471  0.9692  0.1405 -0.4253
+ 1630TIP3   OH2 6337   6.133   2.153   0.841  0.0524  0.3995  0.0489
+ 1630TIP3    H1 6338   6.188   2.195   0.908  0.1170  0.6678 -0.1703
+ 1630TIP3    H2 6339   6.138   2.060   0.862 -1.4505  0.6375  1.5587
+ 1631TIP3   OH2 6340   6.340   2.561   4.886 -0.2597  0.2166  0.2827
+ 1631TIP3    H1 6341   6.265   2.620   4.884 -1.4098 -1.2138  0.6582
+ 1631TIP3    H2 6342   6.306   2.479   4.922  0.9318 -1.1934 -1.6714
+ 1632TIP3   OH2 6343   0.114   3.625   4.996 -0.4026 -0.3527 -0.0515
+ 1632TIP3    H1 6344   0.158   3.669   4.923  0.5511 -1.8123 -0.3757
+ 1632TIP3    H2 6345   0.056   3.692   5.033  0.2188  0.8442 -1.2039
+ 1633TIP3   OH2 6346   1.241   3.151   5.580  0.4759  1.1264 -0.4989
+ 1633TIP3    H1 6347   1.298   3.164   5.655  0.9566 -1.4103 -0.3984
+ 1633TIP3    H2 6348   1.197   3.236   5.568  0.2236  1.5033  2.7524
+ 1634TIP3   OH2 6349   5.707   2.789   5.980 -0.0343  0.4309  0.0875
+ 1634TIP3    H1 6350   5.622   2.751   6.004  0.0013  0.7406  0.7049
+ 1634TIP3    H2 6351   5.685   2.874   5.941 -0.1116 -0.2040 -1.2721
+ 1635TIP3   OH2 6352   6.897   3.723   4.646  0.2935 -0.3431  0.2078
+ 1635TIP3    H1 6353   6.833   3.709   4.577 -0.3413  0.7063  0.5640
+ 1635TIP3    H2 6354   6.850   3.706   4.728  1.1353 -1.9198  0.3831
+ 1636TIP3   OH2 6355   6.503   2.347   5.663 -0.1154  0.5046  0.0883
+ 1636TIP3    H1 6356   6.414   2.327   5.693 -0.3610  2.8003  0.9353
+ 1636TIP3    H2 6357   6.560   2.311   5.730 -0.4110 -0.4295 -0.1505
+ 1637TIP3   OH2 6358   5.020   0.204   1.424 -0.6530  0.1534 -0.0657
+ 1637TIP3    H1 6359   4.926   0.202   1.440 -0.6107 -0.8509  0.1138
+ 1637TIP3    H2 6360   5.034   0.137   1.358 -0.0995  0.4901 -0.2903
+ 1638TIP3   OH2 6361   0.142   3.676   3.110 -0.3157  0.2334  0.3680
+ 1638TIP3    H1 6362   0.061   3.677   3.161  0.2366 -1.2233  1.3277
+ 1638TIP3    H2 6363   0.116   3.703   3.022 -1.6249  0.9366  0.9497
+ 1639TIP3   OH2 6364   1.099   4.214   6.032 -0.0276  0.1752  0.0582
+ 1639TIP3    H1 6365   1.145   4.130   6.033  0.6671  0.5550  1.2938
+ 1639TIP3    H2 6366   1.105   4.244   5.942  3.7238  1.0527  0.5281
+ 1640TIP3   OH2 6367   0.038   0.267   0.931 -0.0898 -0.7142 -0.6713
+ 1640TIP3    H1 6368   0.080   0.217   1.001  0.5388 -2.2053 -2.1151
+ 1640TIP3    H2 6369   0.095   0.257   0.856 -1.8021 -0.8099 -1.9882
+ 1641TIP3   OH2 6370   2.029   4.412   1.151  0.3694 -0.4774  0.2549
+ 1641TIP3    H1 6371   1.990   4.334   1.109  0.3592 -0.7861  0.8347
+ 1641TIP3    H2 6372   2.124   4.399   1.141  0.3443  0.2697 -1.1479
+ 1642TIP3   OH2 6373   0.556   2.700   6.080 -0.0302  0.2230 -0.1677
+ 1642TIP3    H1 6374   0.541   2.658   6.164 -0.9918  2.6887  0.9415
+ 1642TIP3    H2 6375   0.472   2.696   6.034  0.6292 -1.5978 -1.2669
+ 1643TIP3   OH2 6376   6.225   2.772   5.750  0.2171  0.1738 -0.4292
+ 1643TIP3    H1 6377   6.270   2.712   5.809 -0.2211 -1.3401 -1.5838
+ 1643TIP3    H2 6378   6.132   2.756   5.767  0.1090  1.6025  0.3100
+ 1644TIP3   OH2 6379   6.717   2.769   1.689 -0.3933  0.2280 -0.3181
+ 1644TIP3    H1 6380   6.711   2.677   1.664 -2.7225  0.0106  0.8940
+ 1644TIP3    H2 6381   6.779   2.769   1.762  0.6196 -0.1825 -1.1684
+ 1645TIP3   OH2 6382   0.994   4.844   1.476 -0.3990 -0.4158 -0.0709
+ 1645TIP3    H1 6383   0.983   4.754   1.447  2.7567 -1.3947  1.5133
+ 1645TIP3    H2 6384   1.016   4.892   1.396  0.7762 -1.6456 -0.5146
+ 1646TIP3   OH2 6385   5.107   3.491   1.194 -1.0902 -0.3145 -0.1598
+ 1646TIP3    H1 6386   5.193   3.447   1.196 -1.5521 -1.2161  0.3148
+ 1646TIP3    H2 6387   5.114   3.554   1.123  0.0333 -0.2554 -0.0071
+ 1647TIP3   OH2 6388   5.309   3.365   0.739 -0.2643  0.2604 -0.8158
+ 1647TIP3    H1 6389   5.366   3.442   0.735 -2.4225  1.9947  0.4646
+ 1647TIP3    H2 6390   5.250   3.374   0.665 -0.8183  0.0738 -0.4012
+ 1648TIP3   OH2 6391   6.682   3.586   6.397 -0.0257  0.2252  0.2649
+ 1648TIP3    H1 6392   6.645   3.516   6.450 -0.0289 -0.6164 -0.8494
+ 1648TIP3    H2 6393   6.713   3.543   6.317  0.8025  1.3420 -0.0356
+ 1649TIP3   OH2 6394   1.089   4.360   6.282  0.6861 -0.6382  0.2893
+ 1649TIP3    H1 6395   1.070   4.449   6.253  0.1626 -0.3259  1.5806
+ 1649TIP3    H2 6396   1.098   4.310   6.200  1.2208  0.6361 -0.4462
+ 1650TIP3   OH2 6397   6.347   3.995   1.437  0.2485  0.0803 -0.0733
+ 1650TIP3    H1 6398   6.416   3.964   1.495  2.2534  0.1997 -2.3039
+ 1650TIP3    H2 6399   6.279   4.029   1.495  1.0155 -2.1911  2.2316
+ 1651TIP3   OH2 6400   5.759   4.285   6.599 -0.3966  0.1869  0.1572
+ 1651TIP3    H1 6401   5.742   4.273   6.505 -2.1752  2.0417  0.1986
+ 1651TIP3    H2 6402   5.805   4.369   6.604 -1.8633  0.9459  1.0761
+ 1652TIP3   OH2 6403   3.009   4.369   1.259  0.2723  0.2270  0.0317
+ 1652TIP3    H1 6404   2.930   4.422   1.248 -0.6099 -0.2015  3.6316
+ 1652TIP3    H2 6405   3.080   4.426   1.231 -1.0705  1.5887 -0.6944
+ 1653TIP3   OH2 6406   2.137   4.394   5.783  0.0621 -0.2785  0.2497
+ 1653TIP3    H1 6407   2.217   4.344   5.800  0.6323  0.4562 -0.2454
+ 1653TIP3    H2 6408   2.088   4.389   5.865  0.9043 -0.2093  0.7606
+ 1654TIP3   OH2 6409   6.146   1.736   6.402 -0.4081 -1.0824 -0.4623
+ 1654TIP3    H1 6410   6.199   1.731   6.482  0.4354  0.6590 -0.8753
+ 1654TIP3    H2 6411   6.188   1.675   6.342  0.9628  0.0084 -0.6625
+ 1655TIP3   OH2 6412   0.965   3.028   0.291 -0.6608  0.0382  0.7450
+ 1655TIP3    H1 6413   0.927   2.942   0.304 -1.0217  0.2708  1.2258
+ 1655TIP3    H2 6414   0.991   3.057   0.378 -2.8825  1.4995  0.9576
+ 1656TIP3   OH2 6415   5.580   4.842   0.917 -0.4426  0.0189  0.6679
+ 1656TIP3    H1 6416   5.648   4.830   0.851  2.4805 -0.1281  3.5779
+ 1656TIP3    H2 6417   5.526   4.763   0.911  0.1889 -0.2997 -1.0604
+ 1657TIP3   OH2 6418   1.664   2.372   2.966  0.1725  0.4966 -0.1168
+ 1657TIP3    H1 6419   1.648   2.280   2.947 -1.7607  0.9853 -0.9927
+ 1657TIP3    H2 6420   1.742   2.395   2.916  0.4145 -0.5482 -0.2168
+ 1658TIP3   OH2 6421   5.513   1.913   6.096  0.3643  0.2879  0.0285
+ 1658TIP3    H1 6422   5.595   1.950   6.128 -0.0387  1.6740 -0.4805
+ 1658TIP3    H2 6423   5.535   1.824   6.070  1.5473  0.4200  0.5485
+ 1659TIP3   OH2 6424   6.223   3.211   0.047 -0.0211 -0.2631  0.3710
+ 1659TIP3    H1 6425   6.202   3.247  -0.040  0.1378 -0.2797  0.3258
+ 1659TIP3    H2 6426   6.317   3.224   0.056 -0.0328 -0.2854  0.5307
+ 1660TIP3   OH2 6427  -0.023   2.058   6.755 -0.2330 -0.3782 -0.1946
+ 1660TIP3    H1 6428   0.052   2.013   6.794  1.5498  1.3107 -1.5951
+ 1660TIP3    H2 6429  -0.020   2.034   6.663 -1.9670 -1.0133 -0.1012
+ 1661TIP3   OH2 6430   6.674   2.999   2.094 -0.1994  0.1703 -0.2644
+ 1661TIP3    H1 6431   6.726   2.920   2.087 -0.6934 -0.1533 -0.3192
+ 1661TIP3    H2 6432   6.649   3.005   2.186 -0.4446  0.0795 -0.3241
+ 1662TIP3   OH2 6433   1.523   1.277   2.013  0.3599 -0.2006  0.5334
+ 1662TIP3    H1 6434   1.480   1.362   2.003 -0.0442 -0.4512  0.0988
+ 1662TIP3    H2 6435   1.560   1.258   1.927  1.4334  0.0544  0.9283
+ 1663TIP3   OH2 6436   6.294   3.144   6.283  0.8346 -0.5441  0.3479
+ 1663TIP3    H1 6437   6.213   3.098   6.261 -0.0593 -0.3403  3.0583
+ 1663TIP3    H2 6438   6.325   3.179   6.200 -2.3626  0.1802 -0.6104
+ 1664TIP3   OH2 6439   1.122   3.430   6.156 -0.5759 -0.1722 -0.0313
+ 1664TIP3    H1 6440   1.201   3.484   6.146  0.0058 -0.9193  0.4302
+ 1664TIP3    H2 6441   1.125   3.368   6.083 -1.6517  0.9035 -1.0105
+ 1665TIP3   OH2 6442   6.634   2.710   4.269 -0.0386  0.0560 -0.0915
+ 1665TIP3    H1 6443   6.540   2.695   4.263  0.2231 -1.4177 -0.6948
+ 1665TIP3    H2 6444   6.673   2.624   4.257  1.3468  0.4069  1.6487
+ 1666TIP3   OH2 6445   6.217   0.196   0.372  0.5646 -0.1698 -0.3840
+ 1666TIP3    H1 6446   6.136   0.246   0.358 -0.2236 -0.9419  1.3080
+ 1666TIP3    H2 6447   6.284   0.262   0.384  0.1015  0.4850 -1.3067
+ 1667TIP3   OH2 6448   6.077   6.537   1.090  0.4797  0.2306  0.3521
+ 1667TIP3    H1 6449   6.001   6.594   1.078  0.0854  0.0969  2.1082
+ 1667TIP3    H2 6450   6.119   6.569   1.170  0.7896 -1.3275  0.8321
+ 1668TIP3   OH2 6451   6.299   3.433   1.161 -0.5248 -0.2067  0.1503
+ 1668TIP3    H1 6452   6.386   3.462   1.135 -0.5148  0.6486  1.1216
+ 1668TIP3    H2 6453   6.299   3.441   1.256 -2.5584  2.2808 -0.0345
+ 1669TIP3   OH2 6454   5.882   4.051   2.725  0.0997  0.4601  0.4769
+ 1669TIP3    H1 6455   5.819   3.996   2.679  1.2282 -1.3818  1.0718
+ 1669TIP3    H2 6456   5.895   4.126   2.667 -1.4880  0.1226 -0.3428
+ 1670TIP3   OH2 6457   1.357   5.999   1.771  0.4215  0.0413  0.3192
+ 1670TIP3    H1 6458   1.417   6.024   1.701  2.1361  0.0887  1.7672
+ 1670TIP3    H2 6459   1.310   5.923   1.737  0.3675  0.7938 -1.3310
+ 1671TIP3   OH2 6460   6.076   5.586   2.774 -0.2116  0.9802 -0.2840
+ 1671TIP3    H1 6461   6.076   5.682   2.773  1.0137  1.0094  1.1191
+ 1671TIP3    H2 6462   6.032   5.563   2.856 -1.7828  0.2967 -1.2800
+ 1672TIP3   OH2 6463   5.545   2.492   6.309 -0.7464 -0.0656  0.8018
+ 1672TIP3    H1 6464   5.492   2.518   6.234  0.4308 -0.3122 -0.1270
+ 1672TIP3    H2 6465   5.484   2.447   6.367 -1.6921  0.2234  0.0391
+ 1673TIP3   OH2 6466   0.341   2.344   5.492  0.1223 -0.3973 -0.3560
+ 1673TIP3    H1 6467   0.268   2.388   5.536  1.1891  2.1111 -1.0013
+ 1673TIP3    H2 6468   0.414   2.352   5.554 -0.0134 -2.4788  0.0858
+ 1674TIP3   OH2 6469   4.971   3.010   2.472 -0.1763 -0.3054  0.4228
+ 1674TIP3    H1 6470   4.906   3.003   2.402  1.6142 -2.2177 -1.1101
+ 1674TIP3    H2 6471   4.994   3.103   2.475 -2.4088  0.2524  0.4804
+ 1675TIP3   OH2 6472   6.182   4.606   5.350  0.3538  0.0829 -0.6460
+ 1675TIP3    H1 6473   6.100   4.578   5.311 -0.7106 -0.1126  1.6674
+ 1675TIP3    H2 6474   6.184   4.701   5.337 -0.4840  0.1544 -0.2676
+ 1676TIP3   OH2 6475   6.682   2.498   0.657  0.0753 -0.5711 -0.4291
+ 1676TIP3    H1 6476   6.761   2.534   0.617  0.8574 -1.6185  0.1522
+ 1676TIP3    H2 6477   6.676   2.542   0.742 -0.7051  0.4773 -1.0157
+ 1677TIP3   OH2 6478   0.483   2.604   6.332  0.6935 -0.4924  0.1402
+ 1677TIP3    H1 6479   0.418   2.538   6.358 -0.2584  0.1807 -0.4827
+ 1677TIP3    H2 6480   0.498   2.657   6.410  1.3737 -1.3665  0.6115
+ 1678TIP3   OH2 6481   5.038   2.895   1.500 -0.3461  0.3771  0.1965
+ 1678TIP3    H1 6482   4.958   2.928   1.460  1.1030  1.1864 -2.1022
+ 1678TIP3    H2 6483   5.073   2.832   1.438 -0.3407 -1.6912  2.2164
+ 1679TIP3   OH2 6484   0.379   3.175   6.187  0.2974  0.0299 -0.1632
+ 1679TIP3    H1 6485   0.332   3.092   6.195 -1.2594  0.8223 -0.6774
+ 1679TIP3    H2 6486   0.413   3.192   6.275 -2.7435  0.7594  0.9319
+ 1680TIP3   OH2 6487   6.181   2.294   1.567 -0.1830 -0.0833 -0.0577
+ 1680TIP3    H1 6488   6.237   2.372   1.569  1.4606 -1.2457  0.5317
+ 1680TIP3    H2 6489   6.197   2.251   1.651 -1.5559 -0.7276 -0.1185
+ 1681TIP3   OH2 6490   1.648   2.194   5.866  0.7644 -0.6502 -0.2269
+ 1681TIP3    H1 6491   1.572   2.138   5.850 -0.8676  1.7528 -1.3066
+ 1681TIP3    H2 6492   1.722   2.144   5.832 -0.3725 -2.8245  0.3614
+ 1682TIP3   OH2 6493   2.107   3.125   0.763 -0.0989 -0.4371  0.0530
+ 1682TIP3    H1 6494   2.061   3.065   0.822  1.0816  0.0416  1.5052
+ 1682TIP3    H2 6495   2.039   3.156   0.703 -1.1754 -1.5186  0.6721
+ 1683TIP3   OH2 6496   2.324   3.489   6.244  0.3948  0.3057 -0.3394
+ 1683TIP3    H1 6497   2.243   3.457   6.203  0.0524  2.8111 -1.7406
+ 1683TIP3    H2 6498   2.306   3.485   6.338 -0.2918 -1.7873 -0.5198
+ 1684TIP3   OH2 6499   4.935   3.169   0.774 -0.5137 -0.5053  0.0478
+ 1684TIP3    H1 6500   4.870   3.238   0.760 -0.4052 -0.7262 -1.6324
+ 1684TIP3    H2 6501   4.957   3.176   0.867  0.5796  2.6997 -0.3791
+ 1685TIP3   OH2 6502   6.621   0.798   0.595  0.1937 -0.3930  0.5927
+ 1685TIP3    H1 6503   6.656   0.854   0.664  0.7221 -0.8649  0.7200
+ 1685TIP3    H2 6504   6.694   0.740   0.572  0.0595 -0.1774 -0.4338
+ 1686TIP3   OH2 6505   5.335   3.333   2.086 -0.2291 -0.1157  0.2172
+ 1686TIP3    H1 6506   5.322   3.352   1.992 -0.6908  0.1239  0.3237
+ 1686TIP3    H2 6507   5.428   3.347   2.101  0.1587 -1.7789 -0.5667
+ 1687TIP3   OH2 6508   6.696   2.816   2.474  0.1881 -0.0283 -0.1207
+ 1687TIP3    H1 6509   6.633   2.873   2.430  0.3356  0.0433 -0.2382
+ 1687TIP3    H2 6510   6.677   2.728   2.440  0.4512  0.0595 -0.4962
+ 1688TIP3   OH2 6511   0.000   2.623   0.516 -0.1280 -0.5105 -0.4187
+ 1688TIP3    H1 6512  -0.020   2.705   0.561 -1.7663 -1.9561  1.5508
+ 1688TIP3    H2 6513   0.088   2.600   0.546  0.3493  0.5085 -0.9985
+ 1689TIP3   OH2 6514   6.333   2.623   6.512  0.4599  0.1150  0.0778
+ 1689TIP3    H1 6515   6.395   2.579   6.570 -1.0376 -0.6364  1.1523
+ 1689TIP3    H2 6516   6.256   2.639   6.567 -0.2904  1.0788 -1.2094
+ 1690TIP3   OH2 6517   1.029   0.408   2.056 -0.1158  0.4804 -0.1212
+ 1690TIP3    H1 6518   0.979   0.454   1.988  0.3518 -1.1645 -1.5801
+ 1690TIP3    H2 6519   0.975   0.332   2.078  1.1435 -0.6421 -0.8299
+ 1691TIP3   OH2 6520   5.223   3.332   5.332 -0.3761 -0.1121 -0.1349
+ 1691TIP3    H1 6521   5.265   3.405   5.377  1.1505 -0.4130 -1.0417
+ 1691TIP3    H2 6522   5.286   3.306   5.264 -1.2122 -1.7964 -0.2903
+ 1692TIP3   OH2 6523   3.571   5.309   2.026 -0.4675 -0.0453 -0.1314
+ 1692TIP3    H1 6524   3.526   5.275   1.949 -2.0185  0.2373  0.6302
+ 1692TIP3    H2 6525   3.504   5.359   2.073  0.6373  0.3632  1.0376
+ 1693TIP3   OH2 6526   6.809   2.481   0.187 -0.1145  0.0458 -0.0339
+ 1693TIP3    H1 6527   6.834   2.394   0.155  0.7609  0.0625  0.6002
+ 1693TIP3    H2 6528   6.743   2.464   0.254 -0.1092 -0.1156 -0.0694
+ 1694TIP3   OH2 6529   5.359   5.581   1.577  0.2171 -0.0676  0.1210
+ 1694TIP3    H1 6530   5.408   5.587   1.495  1.6466 -0.7981  0.9101
+ 1694TIP3    H2 6531   5.416   5.621   1.643 -0.9342  0.5519  0.7595
+ 1695TIP3   OH2 6532   6.493   5.859   2.133  0.3418 -0.0913 -0.2221
+ 1695TIP3    H1 6533   6.426   5.898   2.078 -0.6140  0.1126  1.0622
+ 1695TIP3    H2 6534   6.544   5.933   2.166 -0.3778 -0.0533  0.8139
+ 1696TIP3   OH2 6535   0.114   3.141   0.375  0.0517  0.4205  0.7390
+ 1696TIP3    H1 6536   0.201   3.158   0.411  0.8686 -1.4196 -0.2597
+ 1696TIP3    H2 6537   0.093   3.052   0.404  0.3896 -0.8090 -2.5310
+ 1697TIP3   OH2 6538   6.186   2.738   6.302 -0.2742  0.9609 -0.0779
+ 1697TIP3    H1 6539   6.231   2.687   6.370 -0.0317  1.3910  0.0843
+ 1697TIP3    H2 6540   6.164   2.673   6.235  0.8661  0.7839 -0.3002
+ 1698TIP3   OH2 6541   1.680   0.541   6.531  0.2905 -0.1806 -0.6727
+ 1698TIP3    H1 6542   1.762   0.542   6.582 -0.0862 -2.0733  0.0081
+ 1698TIP3    H2 6543   1.625   0.476   6.576 -0.8925 -0.2451 -2.2000
+ 1699TIP3   OH2 6544   0.425   3.073   6.617  0.2023 -0.7790 -0.3805
+ 1699TIP3    H1 6545   0.413   3.123   6.698  0.3985  1.7882 -1.8863
+ 1699TIP3    H2 6546   0.347   3.018   6.611 -0.7921  0.4843  0.5459
+ 1700TIP3   OH2 6547   5.395   2.065   6.725 -0.1141 -0.3828 -0.4961
+ 1700TIP3    H1 6548   5.454   2.095   6.795  1.0929 -1.3435 -1.0998
+ 1700TIP3    H2 6549   5.406   2.130   6.656  1.1656 -1.1964 -1.0873
+ 1701TIP3   OH2 6550   6.702   3.207   1.683  0.2797  0.1938  0.3096
+ 1701TIP3    H1 6551   6.716   3.290   1.638  0.7315 -0.2735 -0.4296
+ 1701TIP3    H2 6552   6.633   3.225   1.746 -1.3276  0.5439 -1.4936
+ 1702TIP3   OH2 6553   1.052   3.436   2.303 -0.8248  0.1741 -0.8088
+ 1702TIP3    H1 6554   1.039   3.416   2.210  0.4898  0.7039 -1.1273
+ 1702TIP3    H2 6555   1.044   3.532   2.308  0.8817  0.3406 -0.7157
+ 1703TIP3   OH2 6556   2.380   4.975   1.600  0.0096  0.3042  0.0035
+ 1703TIP3    H1 6557   2.337   4.894   1.572  0.8335 -0.0592 -0.2216
+ 1703TIP3    H2 6558   2.324   5.008   1.671 -0.7377 -0.0642 -0.4054
+ 1704TIP3   OH2 6559   6.507   3.516   2.751 -0.1415  0.0953 -0.1925
+ 1704TIP3    H1 6560   6.514   3.524   2.847 -1.0605 -1.4431  0.0117
+ 1704TIP3    H2 6561   6.482   3.425   2.736  1.8092 -0.1673 -2.0049
+ 1705TIP3   OH2 6562   0.156   3.476   1.704  0.0327 -0.1338  0.1536
+ 1705TIP3    H1 6563   0.161   3.570   1.719  0.7358 -0.0418 -0.6589
+ 1705TIP3    H2 6564   0.246   3.444   1.712 -0.0855 -0.6147 -0.3593
+ 1706TIP3   OH2 6565   0.246   4.724   3.065 -0.7827  0.1346  0.1001
+ 1706TIP3    H1 6566   0.288   4.638   3.053 -0.9961 -0.0643  0.7332
+ 1706TIP3    H2 6567   0.153   4.706   3.059 -0.8980  0.0267  1.9250
+ 1707TIP3   OH2 6568   6.632   2.958   0.237 -0.4951 -0.5808 -0.1694
+ 1707TIP3    H1 6569   6.554   2.958   0.182 -0.6734 -0.7195  0.0778
+ 1707TIP3    H2 6570   6.653   2.865   0.249 -1.3736 -0.6261  1.2623
+ 1708TIP3   OH2 6571   5.822   3.110   5.298 -0.4399  0.2082 -0.0286
+ 1708TIP3    H1 6572   5.865   3.025   5.295  0.7625  0.8830 -2.2615
+ 1708TIP3    H2 6573   5.728   3.089   5.294 -0.2669 -1.1023  1.9220
+ 1709TIP3   OH2 6574   0.183   1.975  -0.000  0.0214 -0.5863  0.1487
+ 1709TIP3    H1 6575   0.268   1.932   0.001  0.8802  1.0934  0.7505
+ 1709TIP3    H2 6576   0.156   1.977   0.092  0.3811  0.8612  0.2469
+ 1710TIP3   OH2 6577   0.179   6.274   1.898  0.1265  0.1671  0.5317
+ 1710TIP3    H1 6578   0.194   6.210   1.829  0.7716 -0.7242  1.4820
+ 1710TIP3    H2 6579   0.206   6.230   1.978 -1.0945  1.0076  1.4287
+ 1711TIP3   OH2 6580   6.192   0.079   1.659 -0.3486 -0.1932 -0.4592
+ 1711TIP3    H1 6581   6.250   0.155   1.653 -1.9160  1.2817  1.9421
+ 1711TIP3    H2 6582   6.105   0.115   1.642 -0.8595 -1.9277 -1.6629
+ 1712TIP3   OH2 6583   0.515   2.476   0.123 -0.1578 -0.1754 -0.1724
+ 1712TIP3    H1 6584   0.488   2.562   0.153 -0.4661 -0.7916  1.3494
+ 1712TIP3    H2 6585   0.489   2.416   0.193  1.4271 -1.3172 -0.5198
+ 1713TIP3   OH2 6586   5.293   3.225   3.896  0.6980 -0.6408 -0.3256
+ 1713TIP3    H1 6587   5.267   3.305   3.942  2.5992 -0.0883 -0.1676
+ 1713TIP3    H2 6588   5.332   3.256   3.814  0.0363 -1.4843 -0.9617
+ 1714TIP3   OH2 6589   0.785   2.318   0.863 -0.1116 -0.6284 -0.2615
+ 1714TIP3    H1 6590   0.724   2.364   0.805 -0.3481 -0.0505  0.4458
+ 1714TIP3    H2 6591   0.872   2.336   0.827 -0.2211  0.1826 -0.1100
+ 1715TIP3   OH2 6592   6.369   1.529   5.741  0.0216 -0.7589 -0.1157
+ 1715TIP3    H1 6593   6.278   1.529   5.772 -0.2036 -1.2140 -0.7717
+ 1715TIP3    H2 6594   6.362   1.516   5.647  0.7392 -0.0367 -0.2730
+ 1716TIP3   OH2 6595   1.106   4.648   6.646  0.2029  0.5503 -0.3805
+ 1716TIP3    H1 6596   1.041   4.670   6.712  2.1354  0.9926  1.4582
+ 1716TIP3    H2 6597   1.099   4.718   6.581 -0.6345  1.0124  0.1951
+ 1717TIP3   OH2 6598   1.264   0.798   3.071 -0.3740 -0.0144  0.1874
+ 1717TIP3    H1 6599   1.314   0.731   3.024  0.8300  1.6305 -0.9828
+ 1717TIP3    H2 6600   1.330   0.844   3.124 -1.2514 -0.0549  1.3248
+ 1718TIP3   OH2 6601   2.215   5.094   1.247 -0.1720 -0.6571  0.1756
+ 1718TIP3    H1 6602   2.247   5.007   1.269 -0.5885 -1.3548 -1.8756
+ 1718TIP3    H2 6603   2.161   5.120   1.322  2.0942 -1.0183  2.0010
+ 1719TIP3   OH2 6604   0.022   1.988   6.484 -0.2791 -0.0801 -0.0812
+ 1719TIP3    H1 6605   0.017   1.893   6.470 -2.3802  0.0357 -0.2764
+ 1719TIP3    H2 6606  -0.019   2.026   6.406 -0.3056  0.9564  0.4268
+ 1720TIP3   OH2 6607   2.764   4.506   2.276  0.0066 -0.2342 -0.1569
+ 1720TIP3    H1 6608   2.695   4.440   2.284  0.2277 -0.2000  2.4713
+ 1720TIP3    H2 6609   2.829   4.481   2.341  0.6660  1.9014  0.0410
+ 1721TIP3   OH2 6610   2.041   6.819   1.036  0.2276 -0.3790  0.3037
+ 1721TIP3    H1 6611   2.132   6.819   1.005  0.4990  0.9746  1.0647
+ 1721TIP3    H2 6612   2.033   6.899   1.088 -1.8928  0.3789 -1.1319
+ 1722TIP3   OH2 6613   1.651   4.843   6.476 -0.2767  0.2070 -0.3219
+ 1722TIP3    H1 6614   1.739   4.830   6.440  0.1597 -1.6390  1.3346
+ 1722TIP3    H2 6615   1.658   4.922   6.528  0.5417 -0.1870  0.1782
+ 1723TIP3   OH2 6616   1.749   5.282   2.349 -0.1355 -0.6147  0.4878
+ 1723TIP3    H1 6617   1.713   5.266   2.262  0.0946  1.0602  0.0563
+ 1723TIP3    H2 6618   1.844   5.275   2.337  0.0167  1.5231  0.1390
+ 1724TIP3   OH2 6619   5.912   0.207   1.310 -0.1987  0.1784 -0.1154
+ 1724TIP3    H1 6620   5.871   0.288   1.342  1.2107  0.7645  0.2528
+ 1724TIP3    H2 6621   5.986   0.238   1.257  0.1555 -0.8676 -0.2325
+ 1725TIP3   OH2 6622   6.542   3.660   3.308  0.0549 -0.5480  0.0468
+ 1725TIP3    H1 6623   6.503   3.622   3.386  1.1725 -0.5550  0.6149
+ 1725TIP3    H2 6624   6.485   3.733   3.285 -0.6326 -0.9420  0.4910
+ 1726TIP3   OH2 6625   1.059   4.031   0.255  0.0861  0.1414 -0.2373
+ 1726TIP3    H1 6626   1.091   4.069   0.337  1.7091 -0.0744 -0.7414
+ 1726TIP3    H2 6627   1.102   4.084   0.187 -1.0044  0.1232 -0.9435
+ 1727TIP3   OH2 6628   0.664   0.738   2.822 -0.3964  0.3065 -0.4023
+ 1727TIP3    H1 6629   0.731   0.670   2.815 -0.8087 -0.3127  1.3087
+ 1727TIP3    H2 6630   0.691   0.791   2.896 -0.9836  0.9837 -0.6642
+ 1728TIP3   OH2 6631   2.245   5.380   2.707 -0.5489 -0.0413  0.6660
+ 1728TIP3    H1 6632   2.320   5.352   2.655 -1.6428 -1.4917 -0.1533
+ 1728TIP3    H2 6633   2.235   5.473   2.686  0.6557  0.0368  0.3578
+ 1729TIP3   OH2 6634   0.432   5.482   1.589 -0.3281 -0.4358  0.0831
+ 1729TIP3    H1 6635   0.507   5.459   1.644 -0.3370  1.9307  1.1183
+ 1729TIP3    H2 6636   0.451   5.440   1.505  1.6928 -0.6410  0.6071
+ 1730TIP3   OH2 6637   1.939   0.510   1.826  0.2144 -0.0802  0.3520
+ 1730TIP3    H1 6638   1.945   0.571   1.752 -0.6106 -0.9936 -0.4923
+ 1730TIP3    H2 6639   1.871   0.548   1.882 -2.8397 -1.9542 -1.9091
+ 1731TIP3   OH2 6640   0.068   5.526   0.891  0.5308  0.6849 -0.1749
+ 1731TIP3    H1 6641   0.011   5.578   0.834  0.6222  1.6976  0.6397
+ 1731TIP3    H2 6642   0.087   5.584   0.965 -0.3412 -0.9082  1.3545
+ 1732TIP3   OH2 6643   1.098   6.695   1.145 -0.1162 -0.0322  0.8521
+ 1732TIP3    H1 6644   1.096   6.605   1.114  2.1302  0.1678 -0.0158
+ 1732TIP3    H2 6645   1.013   6.709   1.187 -1.0557 -2.0677 -0.3230
+ 1733TIP3   OH2 6646   0.774   5.177   0.053  0.3727 -0.3992 -0.0014
+ 1733TIP3    H1 6647   0.697   5.233   0.062  0.1825 -0.4464 -1.2296
+ 1733TIP3    H2 6648   0.802   5.190  -0.038 -0.6705 -3.5702 -0.8451
+ 1734TIP3   OH2 6649   1.626   4.709   1.391  0.0391 -0.9202 -0.5837
+ 1734TIP3    H1 6650   1.574   4.693   1.313  0.9849 -0.8945 -1.2365
+ 1734TIP3    H2 6651   1.717   4.698   1.362  0.4996  0.8505  0.0712
+ 1735TIP3   OH2 6652   1.946   4.229   1.480  0.1395 -0.0551  0.2279
+ 1735TIP3    H1 6653   1.880   4.299   1.484 -0.4485 -0.6586  2.1149
+ 1735TIP3    H2 6654   1.902   4.158   1.433  0.4116  0.5159 -0.8911
+ 1736TIP3   OH2 6655   1.497   2.008   6.529  0.4371  1.1226 -0.1673
+ 1736TIP3    H1 6656   1.553   2.050   6.465  0.0805 -0.6776 -1.6962
+ 1736TIP3    H2 6657   1.550   1.938   6.566  0.2363  1.3896  0.6567
+ 1737TIP3   OH2 6658   0.781   4.634   1.650  0.1499  0.2406  0.1011
+ 1737TIP3    H1 6659   0.854   4.628   1.712 -0.1069  2.0251  0.5978
+ 1737TIP3    H2 6660   0.811   4.586   1.573  0.7846 -1.3288  1.2865
+ 1738TIP3   OH2 6661   1.158   6.257   2.351  0.4782 -0.0157  0.0169
+ 1738TIP3    H1 6662   1.132   6.343   2.384  2.8119  1.0965 -0.9227
+ 1738TIP3    H2 6663   1.123   6.254   2.262 -0.0969 -0.2854  0.2492
+ 1739TIP3   OH2 6664   0.229   4.567   1.904  0.0764 -0.4838  0.6393
+ 1739TIP3    H1 6665   0.237   4.483   1.859 -0.5260 -1.7506  2.8359
+ 1739TIP3    H2 6666   0.314   4.581   1.945 -0.6639 -1.3613  2.5165
+ 1740TIP3   OH2 6667   0.516   5.388   5.911  0.3539 -0.1904 -0.2868
+ 1740TIP3    H1 6668   0.556   5.414   5.828  1.5865  0.1030  0.3743
+ 1740TIP3    H2 6669   0.570   5.431   5.977 -1.5253  0.8032  0.6274
+ 1741TIP3   OH2 6670   0.921   4.942   1.723 -0.3778  0.6395  0.0909
+ 1741TIP3    H1 6671   0.964   4.915   1.642  1.0847  0.5388  0.8890
+ 1741TIP3    H2 6672   0.898   4.860   1.766  1.5971  0.6353  1.2080
+ 1742TIP3   OH2 6673   0.912   5.788   1.356  0.8854  0.0168  0.6530
+ 1742TIP3    H1 6674   0.867   5.863   1.396  0.9107 -0.4145  1.5004
+ 1742TIP3    H2 6675   0.974   5.827   1.294  0.3746  0.6683  0.5525
+ 1743TIP3   OH2 6676   3.188   6.616   6.299 -0.4436 -0.2825 -0.0518
+ 1743TIP3    H1 6677   3.223   6.579   6.381  0.9765 -0.1797 -0.6118
+ 1743TIP3    H2 6678   3.260   6.608   6.236 -1.7829 -1.0784 -1.5118
+ 1744TIP3   OH2 6679   2.913   2.940   0.929  0.2331 -0.3788 -0.0641
+ 1744TIP3    H1 6680   2.976   2.999   0.969 -0.2455 -0.0891  0.2555
+ 1744TIP3    H2 6681   2.828   2.983   0.939 -0.0629 -0.9165 -0.2070
+ 1745TIP3   OH2 6682   2.414   5.659   1.521  0.0874  0.1329 -0.2853
+ 1745TIP3    H1 6683   2.497   5.632   1.561  0.4178  0.8720 -0.4584
+ 1745TIP3    H2 6684   2.440   5.706   1.442 -0.4783  0.8230 -0.0679
+ 1746TIP3   OH2 6685   2.859   6.640   6.839  0.2217 -0.0489 -0.0022
+ 1746TIP3    H1 6686   2.795   6.685   6.785 -0.5384  0.0505  0.9550
+ 1746TIP3    H2 6687   2.898   6.709   6.893 -0.5019 -0.4321  1.0291
+ 1747TIP3   OH2 6688   4.123   4.703   0.665 -0.3535 -0.5765 -0.0269
+ 1747TIP3    H1 6689   4.087   4.791   0.676  0.1831  0.1932 -3.7348
+ 1747TIP3    H2 6690   4.200   4.702   0.722 -0.4363  1.2871  0.1673
+ 1748TIP3   OH2 6691   3.203   4.276   2.220 -0.4181  0.2319  0.0285
+ 1748TIP3    H1 6692   3.155   4.232   2.150 -1.9269  1.7159  0.0821
+ 1748TIP3    H2 6693   3.265   4.333   2.174  0.5806 -0.9024 -0.0523
+ 1749TIP3   OH2 6694   2.321   3.621   0.058  0.0710  0.1544  0.7755
+ 1749TIP3    H1 6695   2.387   3.556   0.036 -0.2470 -0.2462  0.9961
+ 1749TIP3    H2 6696   2.244   3.595   0.008 -0.1416  0.2041  1.0725
+ 1750TIP3   OH2 6697   0.243   3.505   0.216 -0.2810 -0.2049 -0.1316
+ 1750TIP3    H1 6698   0.158   3.462   0.215  0.6775 -2.1783  0.9030
+ 1750TIP3    H2 6699   0.227   3.591   0.176 -2.9874 -0.0919  1.1122
+ 1751TIP3   OH2 6700   4.475   5.522   1.437 -0.0574 -0.1384  0.5069
+ 1751TIP3    H1 6701   4.535   5.557   1.503  0.3261 -1.8599  1.1008
+ 1751TIP3    H2 6702   4.398   5.493   1.486  0.0123 -0.9504  0.1547
+ 1752TIP3   OH2 6703   3.623   5.059   0.469 -0.3116  0.2928  0.2831
+ 1752TIP3    H1 6704   3.552   5.087   0.526 -0.4627  0.0206  0.2335
+ 1752TIP3    H2 6705   3.619   4.963   0.472  0.1314  0.2778  0.3753
+ 1753TIP3   OH2 6706   1.525   3.444   1.962  0.1825  0.1166  0.0669
+ 1753TIP3    H1 6707   1.459   3.460   1.895  0.2849 -1.3281 -0.3947
+ 1753TIP3    H2 6708   1.477   3.447   2.045 -0.0304  1.4059 -0.0894
+ 1754TIP3   OH2 6709   5.450   3.915   6.061  0.7835  0.2502 -0.3794
+ 1754TIP3    H1 6710   5.390   3.988   6.048  0.6221  0.1933  0.0393
+ 1754TIP3    H2 6711   5.447   3.898   6.155 -0.0120 -1.0120 -0.6283
+ 1755TIP3   OH2 6712   2.632   5.853   2.936  0.5204  0.3022 -0.1358
+ 1755TIP3    H1 6713   2.568   5.908   2.982  1.4812  0.8826  0.5300
+ 1755TIP3    H2 6714   2.588   5.768   2.927  0.5609 -0.0496  2.5156
+ 1756TIP3   OH2 6715   2.061   5.897   2.098 -0.2461  0.1216 -0.1676
+ 1756TIP3    H1 6716   2.046   5.990   2.084 -0.3613  0.2449  0.7039
+ 1756TIP3    H2 6717   1.973   5.859   2.101 -0.3370  0.4237  2.2166
+ 1757TIP3   OH2 6718   6.490   5.662   6.642 -0.3403  0.3019  0.3802
+ 1757TIP3    H1 6719   6.482   5.751   6.676  0.6311  0.5729 -0.0789
+ 1757TIP3    H2 6720   6.580   5.658   6.608 -1.1672 -0.0539 -1.8255
+ 1758TIP3   OH2 6721   6.406   6.756   0.813  0.6379  0.3526 -0.0452
+ 1758TIP3    H1 6722   6.347   6.686   0.839 -0.0639  1.0971  0.3820
+ 1758TIP3    H2 6723   6.457   6.720   0.741  0.9392 -0.9197  0.8021
+ 1759TIP3   OH2 6724   1.947   4.201   0.987 -0.6659 -0.5401 -0.0308
+ 1759TIP3    H1 6725   1.929   4.207   0.893 -2.2924 -1.3153  0.2185
+ 1759TIP3    H2 6726   1.980   4.112   0.999  2.1858  0.4114 -0.2589
+ 1760TIP3   OH2 6727   0.650   3.434   1.200  0.2310 -0.1755 -0.5998
+ 1760TIP3    H1 6728   0.689   3.478   1.125 -0.1370  0.2038 -0.5706
+ 1760TIP3    H2 6729   0.557   3.429   1.179  0.0021  0.6536  0.1865
+ 1761TIP3   OH2 6730   1.275   6.378   2.013  0.2842  0.4135 -0.0517
+ 1761TIP3    H1 6731   1.251   6.399   1.923 -1.5972  0.5477  0.4541
+ 1761TIP3    H2 6732   1.336   6.447   2.039 -0.5293  1.3669 -0.6519
+ 1762TIP3   OH2 6733   5.731   6.097   2.150 -0.7935  0.1108  0.0331
+ 1762TIP3    H1 6734   5.758   6.111   2.241  0.3450 -1.5167 -0.0345
+ 1762TIP3    H2 6735   5.762   6.175   2.104  0.9350 -0.2343  0.5753
+ 1763TIP3   OH2 6736   1.818   4.472   5.379  0.1449  0.2058 -0.0801
+ 1763TIP3    H1 6737   1.870   4.490   5.457 -0.6986 -1.2169  0.8458
+ 1763TIP3    H2 6738   1.792   4.381   5.389 -1.7596  0.6342 -0.9521
+ 1764TIP3   OH2 6739   3.201   5.102   3.504 -0.1374 -0.3746  0.0660
+ 1764TIP3    H1 6740   3.154   5.129   3.425 -0.2675  1.2839  0.6795
+ 1764TIP3    H2 6741   3.151   5.140   3.576  0.8368 -0.5514  0.8558
+ 1765TIP3   OH2 6742   1.496   5.991   0.507  0.1566  0.1147  0.4783
+ 1765TIP3    H1 6743   1.476   6.082   0.485 -0.8140 -0.3344 -0.5548
+ 1765TIP3    H2 6744   1.475   5.942   0.427  0.2546 -1.0715  1.1681
+ 1766TIP3   OH2 6745   6.355   5.390   2.466  0.2677  0.4503 -0.0786
+ 1766TIP3    H1 6746   6.441   5.430   2.453  0.8068 -1.1057 -1.5482
+ 1766TIP3    H2 6747   6.295   5.464   2.474  1.4671  1.5481 -1.0248
+ 1767TIP3   OH2 6748   0.644   0.138   0.975  0.0099  0.0059 -0.7111
+ 1767TIP3    H1 6749   0.641   0.124   0.881 -0.7267 -0.1631 -0.6685
+ 1767TIP3    H2 6750   0.715   0.082   1.006 -0.9295 -1.3409 -0.9317
+ 1768TIP3   OH2 6751   1.149   1.292   2.663 -0.5411  0.3275  0.0668
+ 1768TIP3    H1 6752   1.204   1.316   2.738 -0.7161 -1.6062  0.8293
+ 1768TIP3    H2 6753   1.183   1.207   2.634 -2.4365 -0.3841 -0.1190
+ 1769TIP3   OH2 6754   1.814   5.719   2.025  0.4442 -0.1227 -0.2502
+ 1769TIP3    H1 6755   1.754   5.771   2.079  0.8148 -1.6576  1.6989
+ 1769TIP3    H2 6756   1.759   5.650   1.989  0.3260  0.5479 -1.3794
+ 1770TIP3   OH2 6757   2.904   5.471   0.659  0.2158 -0.3467  0.0597
+ 1770TIP3    H1 6758   2.871   5.381   0.665 -2.4538  0.5801 -0.0675
+ 1770TIP3    H2 6759   2.915   5.486   0.565 -5.1846  1.3728 -0.4850
+ 1771TIP3   OH2 6760   1.065   4.853   6.466  0.2990 -0.4132  0.0884
+ 1771TIP3    H1 6761   1.014   4.847   6.385  0.9807 -1.6223 -0.2706
+ 1771TIP3    H2 6762   1.029   4.929   6.512  1.4683  1.7027 -2.4265
+ 1772TIP3   OH2 6763   1.225   4.890   0.537 -0.1035 -0.2820  0.4455
+ 1772TIP3    H1 6764   1.252   4.850   0.454  0.4440 -1.0763  1.0068
+ 1772TIP3    H2 6765   1.132   4.869   0.544 -0.2833  0.2386 -0.2146
+ 1773TIP3   OH2 6766   1.843   5.509   2.666  0.5869  0.8766  0.3721
+ 1773TIP3    H1 6767   1.877   5.466   2.744 -0.0485 -2.3079 -1.0386
+ 1773TIP3    H2 6768   1.754   5.476   2.657  0.5280  1.4631 -1.4808
+ 1774TIP3   OH2 6769   2.434   3.240   2.276  0.1689 -0.5380  0.0512
+ 1774TIP3    H1 6770   2.410   3.213   2.365 -0.5937  0.7235  0.2575
+ 1774TIP3    H2 6771   2.406   3.332   2.272 -0.3648 -0.7674 -1.6948
+ 1775TIP3   OH2 6772   0.013   4.839   6.703  0.2477 -0.0765 -0.0063
+ 1775TIP3    H1 6773   0.068   4.839   6.624  1.3533  0.6651  0.7553
+ 1775TIP3    H2 6774  -0.039   4.919   6.695  1.3451  0.7252  0.6747
+ 1776TIP3   OH2 6775   0.108   2.199   5.731 -0.0431 -0.1880 -0.2551
+ 1776TIP3    H1 6776   0.084   2.291   5.736 -0.2764 -0.2625  0.0721
+ 1776TIP3    H2 6777   0.127   2.175   5.822  0.2684 -0.3916 -0.3759
+ 1777TIP3   OH2 6778   1.451   5.677   0.709 -0.0777  0.7017 -0.3064
+ 1777TIP3    H1 6779   1.401   5.597   0.723 -0.4452  1.0771  0.5455
+ 1777TIP3    H2 6780   1.396   5.729   0.649 -1.1552  1.4962  1.3304
+ 1778TIP3   OH2 6781   2.191   4.335   1.582  0.2473  0.3552 -0.3819
+ 1778TIP3    H1 6782   2.106   4.303   1.550  1.1175 -0.5600 -1.8116
+ 1778TIP3    H2 6783   2.253   4.265   1.561  1.0599  0.2339  2.3066
+ 1779TIP3   OH2 6784   3.301   6.630   6.810  0.0155 -0.1609  0.3352
+ 1779TIP3    H1 6785   3.238   6.594   6.872 -1.5454  1.0586 -0.4976
+ 1779TIP3    H2 6786   3.337   6.707   6.854  1.4152 -1.2139  1.0639
+ 1780TIP3   OH2 6787   4.255   4.502   1.716 -0.2769  0.0846 -0.3220
+ 1780TIP3    H1 6788   4.212   4.450   1.784 -1.2087 -1.6522 -2.1907
+ 1780TIP3    H2 6789   4.293   4.438   1.657 -1.6320  1.4820 -2.7990
+ 1781TIP3   OH2 6790   1.545   3.304   0.000 -0.5903  0.3915  0.0581
+ 1781TIP3    H1 6791   1.618   3.365   0.009 -0.3338  0.0277  0.4658
+ 1781TIP3    H2 6792   1.511   3.294   0.089  0.0195 -0.8664  0.1567
+ 1782TIP3   OH2 6793   1.615   6.062   0.234 -0.2160  0.5448  0.4347
+ 1782TIP3    H1 6794   1.688   6.064   0.171 -0.0512  1.9189  0.6563
+ 1782TIP3    H2 6795   1.558   6.134   0.207 -0.2616  1.0066  1.7162
+ 1783TIP3   OH2 6796   1.236   4.108   1.823 -0.1836  0.5196  0.1969
+ 1783TIP3    H1 6797   1.157   4.082   1.777 -0.6502 -0.3345  1.4564
+ 1783TIP3    H2 6798   1.280   4.169   1.764 -1.1347  0.0065 -1.0444
+ 1784TIP3   OH2 6799   1.899   3.823   1.423  0.3319  0.2560  0.0810
+ 1784TIP3    H1 6800   1.814   3.839   1.463 -0.1642 -0.7707 -0.5204
+ 1784TIP3    H2 6801   1.961   3.828   1.495 -0.4725 -0.9107  0.8715
+ 1785TIP3   OH2 6802   3.246   6.444   2.194 -0.6093  0.0803  0.0569
+ 1785TIP3    H1 6803   3.313   6.381   2.220 -0.4095  0.4754  0.5078
+ 1785TIP3    H2 6804   3.167   6.415   2.239 -0.6508 -0.1662 -0.1743
+ 1786TIP3   OH2 6805   1.120   5.791   1.848  0.1414  0.0509  0.1701
+ 1786TIP3    H1 6806   1.166   5.787   1.931  2.5152  1.8807 -0.9950
+ 1786TIP3    H2 6807   1.058   5.864   1.859 -0.2555 -0.3561  0.6578
+ 1787TIP3   OH2 6808   0.926   5.022   5.951  0.4381 -0.4948 -0.2836
+ 1787TIP3    H1 6809   0.943   5.035   5.858 -1.7098 -2.2557 -0.9487
+ 1787TIP3    H2 6810   0.906   4.929   5.960 -1.1587 -0.0129  1.6310
+ 1788TIP3   OH2 6811   5.865   5.343   2.467  0.2216 -0.3026  0.0082
+ 1788TIP3    H1 6812   5.881   5.341   2.561  1.2734 -1.2582 -0.1743
+ 1788TIP3    H2 6813   5.887   5.254   2.437  0.1262  0.0592 -1.1677
+ 1789TIP3   OH2 6814   2.220   6.208   6.056  0.5772  0.1370  0.0329
+ 1789TIP3    H1 6815   2.245   6.196   6.148 -2.1814 -0.6169  0.7334
+ 1789TIP3    H2 6816   2.176   6.294   6.054 -0.4151 -0.3692 -0.3196
+ 1790TIP3   OH2 6817   2.679   3.403   1.121  0.0607  0.6100 -0.4246
+ 1790TIP3    H1 6818   2.655   3.469   1.056 -0.5003  0.2600 -0.5741
+ 1790TIP3    H2 6819   2.632   3.325   1.093  2.0254 -0.3174 -1.1996
+ 1791TIP3   OH2 6820   6.479   5.847   5.650  0.5791 -0.3744  0.2282
+ 1791TIP3    H1 6821   6.501   5.940   5.645  0.6495 -0.4395 -0.7731
+ 1791TIP3    H2 6822   6.384   5.845   5.650  0.5761 -0.3504 -0.8017
+ 1792TIP3   OH2 6823   2.687   4.649   4.803 -0.0062  0.0129 -0.1124
+ 1792TIP3    H1 6824   2.614   4.663   4.864 -0.2207 -0.9058 -0.1509
+ 1792TIP3    H2 6825   2.755   4.710   4.833 -0.4828  0.2797  0.4360
+ 1793TIP3   OH2 6826   2.201   4.757   1.632 -0.4845 -0.8846 -0.1986
+ 1793TIP3    H1 6827   2.153   4.765   1.714 -0.7468 -0.6492 -0.3721
+ 1793TIP3    H2 6828   2.133   4.745   1.566 -0.4447  1.3653 -0.6949
+ 1794TIP3   OH2 6829   3.086   6.077   1.786  0.1681 -0.6840  0.2475
+ 1794TIP3    H1 6830   3.061   6.105   1.698 -1.8691 -1.6254  0.4916
+ 1794TIP3    H2 6831   3.089   5.981   1.780  0.7877 -0.7185  1.0163
+ 1795TIP3   OH2 6832   2.454   3.166   1.751 -0.0811  0.9175 -0.4893
+ 1795TIP3    H1 6833   2.394   3.241   1.753  0.2778  1.1946  0.0819
+ 1795TIP3    H2 6834   2.455   3.133   1.841  1.2509  1.4325 -0.2901
+ 1796TIP3   OH2 6835   3.323   6.716   2.226  0.0602  0.0174  0.3910
+ 1796TIP3    H1 6836   3.380   6.732   2.301 -0.1233 -0.4337  0.6325
+ 1796TIP3    H2 6837   3.322   6.620   2.218  0.4550  0.0765 -0.4752
+ 1797TIP3   OH2 6838   2.203   5.160   2.405  0.6378  0.1757  0.0134
+ 1797TIP3    H1 6839   2.155   5.175   2.487  1.1040 -0.1802  0.3547
+ 1797TIP3    H2 6840   2.290   5.196   2.422  0.7203  0.1464 -0.3472
+ 1798TIP3   OH2 6841   2.685   1.608   0.935 -0.0607 -0.3114 -0.2465
+ 1798TIP3    H1 6842   2.721   1.693   0.960 -2.1885  0.4938  0.1465
+ 1798TIP3    H2 6843   2.704   1.551   1.009 -1.2118  0.5845  0.7551
+ 1799TIP3   OH2 6844   1.613   2.903   6.354 -0.6439 -0.3737 -0.3384
+ 1799TIP3    H1 6845   1.556   2.859   6.418 -2.0513 -1.0926 -2.0277
+ 1799TIP3    H2 6846   1.653   2.831   6.305 -0.7113  0.1850 -1.2184
+ 1800TIP3   OH2 6847   1.018   4.068   1.627  0.1441  0.0312 -0.5926
+ 1800TIP3    H1 6848   0.923   4.066   1.642 -0.0688 -1.1133 -1.9595
+ 1800TIP3    H2 6849   1.029   4.122   1.549  0.5093 -0.7778 -1.1095
+ 1801TIP3   OH2 6850   2.733   4.285   6.840  0.0966 -0.5009  0.0919
+ 1801TIP3    H1 6851   2.653   4.298   6.890  0.4746 -1.5754  0.9785
+ 1801TIP3    H2 6852   2.716   4.328   6.756 -1.0595  0.0721  0.6140
+ 1802TIP3   OH2 6853   2.185   6.063   0.264  0.6137  0.2013  0.0408
+ 1802TIP3    H1 6854   2.256   6.019   0.312  0.2647  0.3947  0.7445
+ 1802TIP3    H2 6855   2.110   6.004   0.273  0.5869  0.1717 -0.3907
+ 1803TIP3   OH2 6856   0.396   6.049   1.309  0.3489  0.0067 -0.0525
+ 1803TIP3    H1 6857   0.487   6.024   1.323 -0.2141 -0.9889  2.0218
+ 1803TIP3    H2 6858   0.357   5.974   1.265 -0.3812 -1.2575  2.6197
+ 1804TIP3   OH2 6859   6.798   3.468   1.587 -0.0345 -0.2572 -0.8237
+ 1804TIP3    H1 6860   6.777   3.545   1.535  0.0346 -0.3296 -0.9589
+ 1804TIP3    H2 6861   6.894   3.470   1.594 -0.1328  0.5237  0.4720
+ 1805TIP3   OH2 6862   1.682   6.693   6.774 -0.4547 -0.5214 -0.1989
+ 1805TIP3    H1 6863   1.727   6.617   6.813 -1.9163 -1.1481  0.2919
+ 1805TIP3    H2 6864   1.753   6.753   6.750  0.5942 -1.0139  1.5772
+ 1806TIP3   OH2 6865   1.383   4.150   0.258  0.0683  0.1984  0.1009
+ 1806TIP3    H1 6866   1.428   4.069   0.234 -1.3781 -0.3810 -0.7395
+ 1806TIP3    H2 6867   1.372   4.144   0.353 -0.1601 -0.6581  0.0258
+ 1807TIP3   OH2 6868   2.553   4.922   6.526  0.3257  0.0277  0.1442
+ 1807TIP3    H1 6869   2.541   5.012   6.557  0.6657  0.3644 -0.7114
+ 1807TIP3    H2 6870   2.477   4.906   6.469  1.1348  0.3393 -1.0252
+ 1808TIP3   OH2 6871   5.492   6.660   1.746  0.1077 -0.0472  0.6074
+ 1808TIP3    H1 6872   5.459   6.727   1.686 -1.8222 -1.3557  0.1504
+ 1808TIP3    H2 6873   5.502   6.705   1.830  0.3170  1.1612 -0.0574
+ 1809TIP3   OH2 6874   2.210   5.374   1.766 -0.3206 -0.0243  0.2719
+ 1809TIP3    H1 6875   2.203   5.280   1.746 -3.0060  0.1357  0.2018
+ 1809TIP3    H2 6876   2.147   5.388   1.837  1.4258  1.4056  1.5818
+ 1810TIP3   OH2 6877   0.558   0.889   0.901 -0.0717  0.4506  0.2177
+ 1810TIP3    H1 6878   0.486   0.887   0.963 -1.4527 -1.6947 -1.3652
+ 1810TIP3    H2 6879   0.524   0.936   0.825  0.4870  0.2191 -0.1841
+ 1811TIP3   OH2 6880   1.022   4.038   5.742  0.3797 -0.4617  0.3885
+ 1811TIP3    H1 6881   1.066   3.956   5.721  1.0083  0.2276 -1.0669
+ 1811TIP3    H2 6882   1.082   4.106   5.711 -0.3044  0.5328  1.2392
+ 1812TIP3   OH2 6883   3.760   5.937   3.347  0.2449  0.6543  0.0216
+ 1812TIP3    H1 6884   3.751   5.999   3.419  1.3112 -1.3648  1.9498
+ 1812TIP3    H2 6885   3.854   5.923   3.338 -0.0335 -2.4880  1.2786
+ 1813TIP3   OH2 6886   2.241   4.114   1.879 -0.0973  0.1078  0.0168
+ 1813TIP3    H1 6887   2.308   4.106   1.946 -0.0471  0.8292  0.0546
+ 1813TIP3    H2 6888   2.159   4.117   1.927 -0.0205  1.2573  0.0879
+ 1814TIP3   OH2 6889   2.506   4.770   1.000  0.0681 -0.6594 -0.3002
+ 1814TIP3    H1 6890   2.588   4.776   1.050  0.5057 -1.9641 -0.8476
+ 1814TIP3    H2 6891   2.533   4.787   0.910 -0.2137 -1.3932 -0.5226
+ 1815TIP3   OH2 6892   0.067   5.314   1.194  0.3854 -1.2199  0.2605
+ 1815TIP3    H1 6893   0.030   5.227   1.184 -0.8694 -0.6631 -0.1275
+ 1815TIP3    H2 6894   0.033   5.344   1.279 -0.9302 -0.3043 -0.5694
+ 1816TIP3   OH2 6895   1.466   3.126   1.831 -0.0216  0.4615  0.3297
+ 1816TIP3    H1 6896   1.535   3.076   1.876 -2.0449 -2.6874  0.1507
+ 1816TIP3    H2 6897   1.409   3.157   1.902 -0.5516 -0.3383  0.2644
+ 1817TIP3   OH2 6898   0.374   3.227   1.888 -0.2274  0.2908  0.2459
+ 1817TIP3    H1 6899   0.294   3.201   1.841 -0.1767  0.5120  0.0368
+ 1817TIP3    H2 6900   0.438   3.244   1.818 -0.2910  1.0944  0.3791
+ 1818TIP3   OH2 6901   1.243   4.329   3.584  0.5378  0.2428  0.3149
+ 1818TIP3    H1 6902   1.176   4.390   3.615  0.2184 -0.0630  0.2330
+ 1818TIP3    H2 6903   1.232   4.251   3.639 -0.7612 -0.7290 -1.2571
+ 1819TIP3   OH2 6904   1.223   6.060   0.796  0.2241 -0.3859  0.2928
+ 1819TIP3    H1 6905   1.137   6.037   0.831 -0.3759 -0.1338 -1.0106
+ 1819TIP3    H2 6906   1.208   6.079   0.704  1.4394  1.0348  0.3597
+ 1820TIP3   OH2 6907   0.817   5.112   2.246  0.1065  0.1375  0.1030
+ 1820TIP3    H1 6908   0.824   5.064   2.164 -0.4073 -1.3089  0.8790
+ 1820TIP3    H2 6909   0.882   5.182   2.240 -0.7000  0.7343 -1.9832
+ 1821TIP3   OH2 6910   3.338   3.677   1.208 -0.2011 -0.3852  0.1112
+ 1821TIP3    H1 6911   3.400   3.643   1.273  0.6034  0.5787 -0.1445
+ 1821TIP3    H2 6912   3.299   3.754   1.250  0.7349  0.5773 -0.7426
+ 1822TIP3   OH2 6913   1.229   0.281   2.298 -0.6522  0.4978  0.4732
+ 1822TIP3    H1 6914   1.290   0.231   2.245 -0.6858  0.5972  0.3416
+ 1822TIP3    H2 6915   1.183   0.338   2.236 -0.1807  1.1315  0.6967
+ 1823TIP3   OH2 6916   1.329   5.746   5.203  0.5042 -0.0770  0.3743
+ 1823TIP3    H1 6917   1.340   5.789   5.118 -1.7641 -3.1307 -1.5658
+ 1823TIP3    H2 6918   1.251   5.786   5.240 -1.0954 -1.8321 -1.0308
+ 1824TIP3   OH2 6919   4.991   5.015   1.833  0.0226 -0.1548 -0.0509
+ 1824TIP3    H1 6920   5.005   4.936   1.781  1.3171 -0.4125  0.6659
+ 1824TIP3    H2 6921   4.945   4.985   1.911 -1.4807  0.1600 -0.7851
+ 1825TIP3   OH2 6922   2.753   5.090   1.312  0.4344  0.0244 -0.5113
+ 1825TIP3    H1 6923   2.805   5.097   1.392  0.2458 -1.5086 -0.2318
+ 1825TIP3    H2 6924   2.663   5.104   1.340  0.2901 -1.2136 -0.3142
+ 1826TIP3   OH2 6925   5.364   3.991   1.883  0.1924  0.1947  0.4696
+ 1826TIP3    H1 6926   5.345   3.926   1.950 -0.8449 -0.1272 -0.1204
+ 1826TIP3    H2 6927   5.369   3.940   1.801  1.6102  0.5540  0.3074
+ 1827TIP3   OH2 6928   1.782   2.836   0.461 -0.5501  0.1891  0.1133
+ 1827TIP3    H1 6929   1.843   2.888   0.409 -1.2372  0.1112 -0.7770
+ 1827TIP3    H2 6930   1.834   2.806   0.536  0.5175  0.0824 -0.6556
+ 1828TIP3   OH2 6931   2.212   5.060   0.069  0.2930 -0.0333 -0.0057
+ 1828TIP3    H1 6932   2.126   5.065   0.110  0.7173 -2.3082  1.2228
+ 1828TIP3    H2 6933   2.223   5.145   0.026 -2.3499  0.4591  0.2197
+ 1829TIP3   OH2 6934   3.072   4.955   1.446  1.0296 -0.0078  0.6652
+ 1829TIP3    H1 6935   3.091   5.049   1.451  1.3596 -0.0832  0.8260
+ 1829TIP3    H2 6936   3.015   4.938   1.521 -1.5916  0.6694 -1.1320
+ 1830TIP3   OH2 6937   1.070   6.757   0.855  0.5146  0.4778  0.0830
+ 1830TIP3    H1 6938   1.015   6.686   0.824 -0.6193  0.8101  1.2973
+ 1830TIP3    H2 6939   1.074   6.746   0.950  0.5991  1.8271  0.2558
+ 1831TIP3   OH2 6940   1.124   3.822   1.579  0.8043  0.1745  0.0154
+ 1831TIP3    H1 6941   1.083   3.909   1.574  1.4877  0.4723 -0.3955
+ 1831TIP3    H2 6942   1.183   3.819   1.505  0.5960 -0.7470 -0.1156
+ 1832TIP3   OH2 6943   1.472   6.071   5.304  0.1561 -0.3447  0.2326
+ 1832TIP3    H1 6944   1.543   6.010   5.286  0.5599  0.6641 -1.6303
+ 1832TIP3    H2 6945   1.393   6.017   5.302  0.7360 -1.2473  1.1340
+ 1833TIP3   OH2 6946   6.560   4.618   2.336  0.3083 -0.0301  0.2892
+ 1833TIP3    H1 6947   6.595   4.689   2.282  0.6600 -1.7738 -1.8513
+ 1833TIP3    H2 6948   6.483   4.588   2.288 -0.2333 -0.6487  1.5282
+ 1834TIP3   OH2 6949   1.220   5.111   0.250 -0.4648 -0.4019 -0.2924
+ 1834TIP3    H1 6950   1.142   5.107   0.306 -2.1765  0.4071 -2.5391
+ 1834TIP3    H2 6951   1.258   5.023   0.256 -1.0554 -0.5591  1.4924
+ 1835TIP3   OH2 6952   2.330   4.101   1.025  1.1370  0.6246 -0.2975
+ 1835TIP3    H1 6953   2.241   4.067   1.015  1.2030  0.6437 -0.9846
+ 1835TIP3    H2 6954   2.323   4.165   1.096  1.2199 -1.5569  1.7493
+ 1836TIP3   OH2 6955   0.697   5.049   0.723  0.2041  0.0209  0.3033
+ 1836TIP3    H1 6956   0.679   5.116   0.789 -0.4374  0.7427 -0.5932
+ 1836TIP3    H2 6957   0.758   5.090   0.662 -0.8093  0.0926 -0.6956
+ 1837TIP3   OH2 6958   6.564   4.176   2.517  0.0436 -0.2614 -0.3429
+ 1837TIP3    H1 6959   6.522   4.094   2.491 -0.8746  0.3461 -0.8089
+ 1837TIP3    H2 6960   6.641   4.182   2.461 -0.8361  0.0495 -1.5387
+ 1838TIP3   OH2 6961   1.256   6.785   1.375 -0.1386  0.2723  0.3210
+ 1838TIP3    H1 6962   1.220   6.853   1.432 -0.2356 -0.2863  0.9381
+ 1838TIP3    H2 6963   1.194   6.778   1.303 -0.7218  0.0496  0.8433
+ 1839TIP3   OH2 6964   2.239   6.297   1.331  0.4671 -0.7576  0.1856
+ 1839TIP3    H1 6965   2.144   6.294   1.329  0.5221 -2.2773 -1.9717
+ 1839TIP3    H2 6966   2.263   6.354   1.258  1.2076 -0.4427  0.6683
+ 1840TIP3   OH2 6967   1.519   5.649   1.537  0.0250 -0.2341 -0.3773
+ 1840TIP3    H1 6968   1.536   5.729   1.486  0.2760 -1.1147 -1.7149
+ 1840TIP3    H2 6969   1.605   5.608   1.545 -0.3341 -1.1163 -0.9859
+ 1841TIP3   OH2 6970  -0.013   4.666   1.962 -0.1008  0.1277  0.0626
+ 1841TIP3    H1 6971  -0.041   4.598   2.023 -0.4763 -0.1481 -0.4149
+ 1841TIP3    H2 6972   0.069   4.634   1.926  0.7478  0.8554  1.3337
+ 1842TIP3   OH2 6973   0.690   1.364   2.066 -0.5519  0.1032 -0.1606
+ 1842TIP3    H1 6974   0.762   1.329   2.013  1.1372  1.5204  1.1397
+ 1842TIP3    H2 6975   0.683   1.455   2.039 -1.1747  0.2384  0.4647
+ 1843TIP3   OH2 6976   6.422   4.749   2.782  0.3790  0.4951 -0.3394
+ 1843TIP3    H1 6977   6.385   4.813   2.721  1.6273 -1.1394 -2.8751
+ 1843TIP3    H2 6978   6.353   4.735   2.847 -2.8179 -1.0913 -3.9044
+ 1844TIP3   OH2 6979   1.071   6.110   1.790  0.8086  0.3845  0.5331
+ 1844TIP3    H1 6980   1.065   6.183   1.852  3.2403  0.9082  0.2070
+ 1844TIP3    H2 6981   1.164   6.089   1.787  0.5811 -0.4112 -2.0524
+ 1845TIP3   OH2 6982   0.180   5.347   1.500 -0.3622 -0.4081  0.0127
+ 1845TIP3    H1 6983   0.244   5.396   1.552 -0.4571  0.4328 -0.6462
+ 1845TIP3    H2 6984   0.118   5.414   1.470 -1.5407 -1.2160  0.6358
+ 1846TIP3   OH2 6985   0.928   6.848   1.586  0.0675  0.2192 -0.1159
+ 1846TIP3    H1 6986   0.989   6.778   1.611 -1.6458 -1.2007  0.1928
+ 1846TIP3    H2 6987   0.879   6.812   1.512 -0.1262  1.5029 -0.6248
+ 1847TIP3   OH2 6988   1.726   5.032   5.932  0.5092  0.2970 -0.2892
+ 1847TIP3    H1 6989   1.752   4.970   6.000  0.2432 -1.4671 -1.7883
+ 1847TIP3    H2 6990   1.785   5.015   5.859 -1.5800 -0.3366 -1.8623
+ 1848TIP3   OH2 6991   6.316   0.779   2.136 -0.3060 -0.6018  0.4168
+ 1848TIP3    H1 6992   6.372   0.741   2.203 -0.5189 -0.9523  0.3991
+ 1848TIP3    H2 6993   6.342   0.733   2.055 -0.3099 -0.4484  0.3283
+ 1849TIP3   OH2 6994   2.690   6.894   0.894  0.0374 -0.2935  0.1840
+ 1849TIP3    H1 6995   2.781   6.864   0.889 -0.0445 -0.5439  0.2036
+ 1849TIP3    H2 6996   2.665   6.909   0.803 -0.0266 -0.6014  0.1500
+ 1850TIP3   OH2 6997   1.918   5.777   0.688 -0.1318  0.3336 -0.0280
+ 1850TIP3    H1 6998   1.875   5.712   0.744  0.6226 -0.0474  0.1081
+ 1850TIP3    H2 6999   1.850   5.804   0.627 -0.3046 -0.9772 -0.4297
+ 1851TIP3   OH2 7000   0.153   6.765   0.146  0.0161  0.1716 -0.3970
+ 1851TIP3    H1 7001   0.078   6.745   0.089 -0.1011 -0.1529 -0.1291
+ 1851TIP3    H2 7002   0.229   6.738   0.095 -0.1048 -0.3826 -0.2872
+ 1852TIP3   OH2 7003   5.853   4.977   0.844  0.4628 -0.0860  0.6008
+ 1852TIP3    H1 7004   5.942   5.008   0.826  0.4639 -0.5301 -0.2123
+ 1852TIP3    H2 7005   5.809   4.981   0.759 -0.6076  1.1145  1.2090
+ 1853TIP3   OH2 7006   1.807   4.197   0.347 -0.3033  0.7316 -0.3776
+ 1853TIP3    H1 7007   1.815   4.250   0.426  2.5620  1.5481 -1.1468
+ 1853TIP3    H2 7008   1.731   4.233   0.301 -0.4396  1.9303  0.7572
+ 1854TIP3   OH2 7009   6.548   3.845   1.596  0.6708 -0.0193 -0.2366
+ 1854TIP3    H1 7010   6.581   3.778   1.536  1.2611  0.3015 -0.2836
+ 1854TIP3    H2 7011   6.524   3.798   1.675 -1.1142 -0.5904 -1.1037
+ 1855TIP3   OH2 7012   0.074   4.621   1.034  0.0268  0.3584 -0.4216
+ 1855TIP3    H1 7013   0.095   4.627   1.127 -1.0947 -0.7308 -0.0893
+ 1855TIP3    H2 7014  -0.017   4.591   1.032  0.5427 -1.1482 -1.8732
+ 1856TIP3   OH2 7015   0.722   4.770   0.647  0.2608  0.2360  0.2368
+ 1856TIP3    H1 7016   0.712   4.861   0.674  1.0895  0.0331  1.2321
+ 1856TIP3    H2 7017   0.727   4.721   0.728 -3.1483 -1.0663 -0.2549
+ 1857TIP3   OH2 7018   1.141   0.269   1.125  0.2085 -0.0730  0.0240
+ 1857TIP3    H1 7019   1.193   0.207   1.177 -1.4339 -1.9665 -0.5353
+ 1857TIP3    H2 7020   1.054   0.268   1.165  0.0522  1.5772 -0.2444
+ 1858TIP3   OH2 7021   1.367   6.716   4.927 -0.5066 -0.1695  0.3059
+ 1858TIP3    H1 7022   1.419   6.638   4.946 -1.2147 -1.1007 -1.4757
+ 1858TIP3    H2 7023   1.376   6.770   5.005  1.5606 -1.1706  0.7919
+ 1859TIP3   OH2 7024   3.628   4.509   2.243  0.1157 -0.9052  0.0327
+ 1859TIP3    H1 7025   3.614   4.438   2.306  0.4382 -0.5393  0.5286
+ 1859TIP3    H2 7026   3.719   4.499   2.215 -0.1026 -1.2169 -0.5698
+ 1860TIP3   OH2 7027   1.733   4.883   1.862  0.3679 -0.4284 -0.3182
+ 1860TIP3    H1 7028   1.668   4.826   1.904  0.5798 -1.2669 -1.1154
+ 1860TIP3    H2 7029   1.682   4.944   1.809  0.1684 -0.2469  0.0814
+ 1861TIP3   OH2 7030   1.128   4.264   1.228  0.2393  0.1321 -0.0257
+ 1861TIP3    H1 7031   1.175   4.226   1.153  0.2951 -0.5369  0.3464
+ 1861TIP3    H2 7032   1.137   4.359   1.216  0.2162  0.0295 -0.8894
+ 1862TIP3   OH2 7033   0.872   4.902   5.669  0.1002  0.3963 -0.3517
+ 1862TIP3    H1 7034   0.804   4.836   5.678  0.6408 -0.1543 -0.2205
+ 1862TIP3    H2 7035   0.825   4.985   5.663 -0.5446  0.0946  0.5066
+ 1863TIP3   OH2 7036   3.671   4.904   2.257 -0.0216 -0.4077  0.1750
+ 1863TIP3    H1 7037   3.674   4.994   2.224 -1.0404  0.0139  1.1935
+ 1863TIP3    H2 7038   3.762   4.881   2.272  0.2755  0.3035 -0.4879
+ 1864TIP3   OH2 7039   1.649   5.550   1.053  0.0222  0.4296  0.0754
+ 1864TIP3    H1 7040   1.693   5.620   1.100 -1.4280  1.6613 -0.3545
+ 1864TIP3    H2 7041   1.557   5.576   1.052 -0.4907 -1.3434 -0.3375
+ 1865TIP3   OH2 7042   0.846   4.369   2.365 -0.1968  0.1244 -0.3609
+ 1865TIP3    H1 7043   0.803   4.443   2.408 -0.6704  0.2127 -0.9884
+ 1865TIP3    H2 7044   0.802   4.292   2.400 -0.7531  0.2078 -0.8757
+ 1866TIP3   OH2 7045   1.872   6.782   0.152 -0.2000  0.1144  0.2657
+ 1866TIP3    H1 7046   1.800   6.842   0.173 -1.2007 -0.5945 -1.0475
+ 1866TIP3    H2 7047   1.828   6.702   0.124  1.0906  0.0142 -1.5385
+ 1867TIP3   OH2 7048   2.203   5.044   0.431 -0.1547  0.1105 -0.1414
+ 1867TIP3    H1 7049   2.233   5.009   0.516  2.4618  0.1917 -0.9709
+ 1867TIP3    H2 7050   2.235   4.980   0.367 -2.4941 -0.1790 -1.0644
+ 1868TIP3   OH2 7051   0.992   2.081   2.372 -0.8239 -0.4197 -0.1243
+ 1868TIP3    H1 7052   1.074   2.045   2.339 -0.1784 -1.2932  2.3869
+ 1868TIP3    H2 7053   0.926   2.015   2.350 -0.6399 -0.3600 -0.8685
+ 1869TIP3   OH2 7054   1.280   4.595   2.011 -0.2987 -0.2069 -0.2182
+ 1869TIP3    H1 7055   1.254   4.555   2.093 -2.3995 -0.8637 -1.1770
+ 1869TIP3    H2 7056   1.248   4.535   1.943  0.5250  0.8053 -1.5411
+ 1870TIP3   OH2 7057   3.507   4.441   6.715 -0.0074  0.5603  0.0814
+ 1870TIP3    H1 7058   3.534   4.532   6.718  0.4412  0.4608 -0.7736
+ 1870TIP3    H2 7059   3.496   4.422   6.622 -1.7655  0.2266  0.3432
+ 1871TIP3   OH2 7060   6.788   1.803   1.122  0.1821 -0.3588 -0.1972
+ 1871TIP3    H1 7061   6.717   1.743   1.143 -0.2975 -0.4120 -1.8739
+ 1871TIP3    H2 7062   6.866   1.749   1.118 -0.3485 -0.9863 -2.3145
+ 1872TIP3   OH2 7063   2.057   5.189   2.633 -0.5723 -0.2218 -0.3018
+ 1872TIP3    H1 7064   2.007   5.167   2.712 -0.9678 -0.0395 -0.5006
+ 1872TIP3    H2 7065   2.109   5.265   2.658  0.1642 -0.8571  0.1326
+ 1873TIP3   OH2 7066   1.706   5.830   0.514  0.4617  0.2952  0.4779
+ 1873TIP3    H1 7067   1.668   5.743   0.501  0.8249  0.4237 -1.8244
+ 1873TIP3    H2 7068   1.633   5.891   0.502  0.6822  0.3876 -0.5090
+ 1874TIP3   OH2 7069   0.849   6.289   6.776  0.0459 -0.3839 -0.1085
+ 1874TIP3    H1 7070   0.878   6.199   6.762  0.0105 -0.4938  0.5296
+ 1874TIP3    H2 7071   0.757   6.288   6.751 -1.1936 -1.5888  4.0615
+ 1875TIP3   OH2 7072   0.329   3.974   2.321  0.3651 -0.0546  0.5221
+ 1875TIP3    H1 7073   0.357   4.057   2.281 -1.6828 -0.5298 -2.0143
+ 1875TIP3    H2 7074   0.368   3.907   2.265 -3.2148 -0.7244 -1.3408
+ 1876TIP3   OH2 7075   6.874   6.010   5.466  0.1959  0.2881 -0.3833
+ 1876TIP3    H1 7076   6.924   6.063   5.528  1.7002 -2.4282  0.7880
+ 1876TIP3    H2 7077   6.830   5.945   5.520 -0.8401 -0.2866 -1.8920
+ 1877TIP3   OH2 7078   4.035   4.313   1.294 -0.1685 -0.6727 -0.0670
+ 1877TIP3    H1 7079   4.116   4.291   1.247  0.2396 -0.4489  0.5166
+ 1877TIP3    H2 7080   4.058   4.391   1.345  0.0035 -2.0063  2.0006
+ 1878TIP3   OH2 7081   0.449   6.568   0.956  0.1840 -0.2656  0.3306
+ 1878TIP3    H1 7082   0.477   6.525   0.875 -1.4598 -0.0804 -0.3415
+ 1878TIP3    H2 7083   0.527   6.567   1.011  1.0068 -1.4191 -0.8199
+ 1879TIP3   OH2 7084   2.194   4.863   2.397  0.0122 -0.4498 -0.2313
+ 1879TIP3    H1 7085   2.200   4.958   2.390  0.3747 -0.5884 -1.9503
+ 1879TIP3    H2 7086   2.101   4.843   2.390 -0.1609 -0.1682  1.0856
+ 1880TIP3   OH2 7087   2.531   5.710   1.042  0.0857 -0.0995 -0.1002
+ 1880TIP3    H1 7088   2.436   5.707   1.030  0.0605 -1.0007  0.3124
+ 1880TIP3    H2 7089   2.563   5.630   1.000  0.5847 -0.2005  0.4663
+ 1881TIP3   OH2 7090   3.679   3.770   1.593  0.2484 -0.5580  0.0060
+ 1881TIP3    H1 7091   3.613   3.701   1.592 -0.0407 -0.3052  1.4236
+ 1881TIP3    H2 7092   3.762   3.724   1.582 -0.1614 -0.8349 -2.3737
+ 1882TIP3   OH2 7093   3.490   6.696   0.331  0.4870  0.5984  0.3289
+ 1882TIP3    H1 7094   3.438   6.625   0.292  0.8023 -0.2789  1.4706
+ 1882TIP3    H2 7095   3.444   6.717   0.412  1.1310  0.7984  0.6397
+ 1883TIP3   OH2 7096   2.274   5.031   3.493  0.0571 -0.2004 -0.1698
+ 1883TIP3    H1 7097   2.273   5.073   3.407  1.3060  0.4671  0.1133
+ 1883TIP3    H2 7098   2.339   5.082   3.543 -1.2260 -0.0713  1.4207
+ 1884TIP3   OH2 7099   2.706   4.945   5.699  0.2996  0.5496  0.5958
+ 1884TIP3    H1 7100   2.646   4.962   5.627  0.8970  0.0398 -0.0272
+ 1884TIP3    H2 7101   2.754   5.027   5.710  0.6473  0.4278 -0.0015
+ 1885TIP3   OH2 7102   1.652   4.330   6.377 -0.8086  0.1594 -0.2289
+ 1885TIP3    H1 7103   1.640   4.425   6.372 -0.9885  0.1639  0.2321
+ 1885TIP3    H2 7104   1.745   4.318   6.393 -0.5026  0.1983 -1.9353
+ 1886TIP3   OH2 7105   1.332   4.999   1.116 -0.3611 -0.5288  0.1854
+ 1886TIP3    H1 7106   1.297   4.930   1.059 -0.9784  0.2112 -0.3373
+ 1886TIP3    H2 7107   1.268   5.006   1.187 -1.3823  0.9306 -0.8518
+ 1887TIP3   OH2 7108   0.697   5.570   0.657  0.5035  0.0880  0.0989
+ 1887TIP3    H1 7109   0.702   5.474   0.659  0.9173  0.1138  0.4647
+ 1887TIP3    H2 7110   0.772   5.596   0.603  1.2692  0.2668  1.2368
+ 1888TIP3   OH2 7111   1.827   4.018   0.724 -0.1142  0.2870  0.2358
+ 1888TIP3    H1 7112   1.922   4.016   0.716 -0.0475  0.1858  1.0349
+ 1888TIP3    H2 7113   1.801   3.926   0.730 -0.2301  0.3325  0.4293
+ 1889TIP3   OH2 7114   2.333   0.388   1.628  0.0735 -0.0241  0.1163
+ 1889TIP3    H1 7115   2.400   0.384   1.697 -0.3120 -0.4331  0.4646
+ 1889TIP3    H2 7116   2.351   0.471   1.583 -0.3072  0.7448  1.3508
+ 1890TIP3   OH2 7117   0.766   3.211   1.865 -0.5703 -0.1181 -0.1291
+ 1890TIP3    H1 7118   0.723   3.251   1.941 -0.3242 -1.0228  0.4854
+ 1890TIP3    H2 7119   0.700   3.215   1.795 -1.6726 -1.5563  0.8245
+ 1891TIP3   OH2 7120   1.382   3.224   0.863 -0.3779  0.3456 -0.4507
+ 1891TIP3    H1 7121   1.291   3.248   0.882 -0.3530 -0.3308  0.6232
+ 1891TIP3    H2 7122   1.405   3.275   0.786 -0.9342  2.2633  0.6181
+ 1892TIP3   OH2 7123   2.155   5.391   5.746 -0.0447  0.2456  0.4482
+ 1892TIP3    H1 7124   2.185   5.305   5.775 -1.0003  0.2990  1.6362
+ 1892TIP3    H2 7125   2.137   5.380   5.652  1.4612 -0.3802  0.2147
+ 1893TIP3   OH2 7126   1.239   4.974   2.376  0.3976  0.5375 -0.2717
+ 1893TIP3    H1 7127   1.232   4.974   2.281 -0.1097  0.7593 -0.2323
+ 1893TIP3    H2 7128   1.329   5.002   2.393  1.3105 -1.9853 -0.7500
+ 1894TIP3   OH2 7129   0.749   2.223   2.292  1.0313  0.5879 -0.1224
+ 1894TIP3    H1 7130   0.673   2.236   2.347  0.2322  1.4296 -1.4092
+ 1894TIP3    H2 7131   0.805   2.163   2.342  0.3234  1.3168  1.5715
+ 1895TIP3   OH2 7132   0.897   4.848   2.770 -0.2446 -0.0411  0.3053
+ 1895TIP3    H1 7133   0.857   4.935   2.769 -1.1008 -0.4030  1.2963
+ 1895TIP3    H2 7134   0.990   4.865   2.760 -0.6378  0.8152 -2.1140
+ 1896TIP3   OH2 7135   1.078   4.309   5.676  0.0919 -0.1327 -0.4119
+ 1896TIP3    H1 7136   0.985   4.297   5.657 -0.0816  0.1118  0.2591
+ 1896TIP3    H2 7137   1.089   4.404   5.681  0.0235 -0.1878  1.1867
+ 1897TIP3   OH2 7138   6.502   4.075   1.212  0.0392 -0.0953 -0.0434
+ 1897TIP3    H1 7139   6.448   4.049   1.286 -1.6293 -0.0107 -1.2005
+ 1897TIP3    H2 7140   6.490   4.005   1.148  2.1550 -0.6003  0.0826
+ 1898TIP3   OH2 7141   1.369   4.890   6.083 -0.0363 -0.3671 -0.6215
+ 1898TIP3    H1 7142   1.287   4.841   6.080 -0.9791  1.1213 -0.2193
+ 1898TIP3    H2 7143   1.377   4.918   6.174  1.6636 -1.6903 -0.3527
+ 1899TIP3   OH2 7144   2.368   3.616   1.733 -0.5882 -0.6256 -0.2855
+ 1899TIP3    H1 7145   2.401   3.656   1.652  0.6289  0.3243  0.6711
+ 1899TIP3    H2 7146   2.418   3.659   1.803  0.5372 -3.6113  0.7911
+ 1900TIP3   OH2 7147   2.980   4.792   1.247 -0.1293 -0.5074 -0.2661
+ 1900TIP3    H1 7148   3.022   4.866   1.289  0.8350 -0.0445 -2.0202
+ 1900TIP3    H2 7149   3.043   4.761   1.183  0.0519 -3.7256  1.3738
+ 1901TIP3   OH2 7150   1.872   5.542   0.452  0.2087  0.1408  0.2836
+ 1901TIP3    H1 7151   1.782   5.532   0.420  0.7455 -0.6757 -1.0330
+ 1901TIP3    H2 7152   1.863   5.551   0.547 -1.3628  1.5374  0.0294
+ 1902TIP3   OH2 7153   6.215   5.963   3.393 -0.4431 -0.5661  0.6089
+ 1902TIP3    H1 7154   6.216   6.035   3.329 -0.6623 -0.0560  1.1649
+ 1902TIP3    H2 7155   6.220   5.884   3.340 -0.6853 -0.1550 -0.0479
+ 1903TIP3   OH2 7156   0.136   2.875   1.263  0.3594  0.1132  0.2203
+ 1903TIP3    H1 7157   0.136   2.787   1.227 -0.1664  0.1225  0.1920
+ 1903TIP3    H2 7158   0.225   2.888   1.295  1.1170  0.4537 -1.9373
+ 1904TIP3   OH2 7159   0.280   3.955   1.953  0.3860 -0.5170 -0.3572
+ 1904TIP3    H1 7160   0.355   4.014   1.965 -1.4069  1.3418  2.3538
+ 1904TIP3    H2 7161   0.220   4.003   1.896  0.2616 -1.0248 -0.6554
+ 1905TIP3   OH2 7162   6.053   6.797   2.975  0.0307 -0.3854 -0.1529
+ 1905TIP3    H1 7163   5.995   6.815   3.048  0.6067  1.1471 -0.0561
+ 1905TIP3    H2 7164   6.102   6.718   3.001 -0.5370 -0.4780  0.6300
+ 1906TIP3   OH2 7165   0.733   6.525   1.564 -0.3672 -0.5973 -0.5529
+ 1906TIP3    H1 7166   0.746   6.546   1.471 -1.4844 -0.9233 -0.7931
+ 1906TIP3    H2 7167   0.639   6.508   1.571 -0.1294 -1.5118  0.4477
+ 1907TIP3   OH2 7168   2.744   4.548   1.705 -0.1306 -0.0188  0.1496
+ 1907TIP3    H1 7169   2.765   4.623   1.762  1.1193 -0.0969 -0.1995
+ 1907TIP3    H2 7170   2.689   4.585   1.636  0.6756  0.6317 -0.1531
+ 1908TIP3   OH2 7171   1.250   3.634   2.740 -0.2571  0.2886  0.0982
+ 1908TIP3    H1 7172   1.172   3.667   2.695  0.1967 -0.1407 -1.0305
+ 1908TIP3    H2 7173   1.249   3.540   2.725  2.4266  0.6691 -3.1825
+ 1909TIP3   OH2 7174   0.691   0.136   0.408  0.3695  0.0842  0.5787
+ 1909TIP3    H1 7175   0.622   0.071   0.423  0.6406 -0.9135 -2.2162
+ 1909TIP3    H2 7176   0.645   0.219   0.397 -0.2107 -0.2185  0.7346
+ 1910TIP3   OH2 7177   1.562   4.668   1.958 -0.5141 -0.0099  0.0775
+ 1910TIP3    H1 7178   1.575   4.654   1.865 -0.7479  1.2563 -0.1441
+ 1910TIP3    H2 7179   1.469   4.649   1.973 -0.2101 -1.4379  0.2931
+ 1911TIP3   OH2 7180   1.011   0.596   1.440  0.0489  0.4895 -0.2172
+ 1911TIP3    H1 7181   1.093   0.625   1.399  1.1557 -0.2658  1.4252
+ 1911TIP3    H2 7182   0.989   0.665   1.502 -0.1825  0.3364 -0.1295
+ 1912TIP3   OH2 7183   2.557   0.059   1.575  0.6207 -0.2901 -0.3052
+ 1912TIP3    H1 7184   2.603  -0.012   1.620 -1.3667 -0.8404  0.9082
+ 1912TIP3    H2 7185   2.488   0.016   1.525 -0.2906  0.7268  0.0490
+ 1913TIP3   OH2 7186   0.656   5.235   2.970  0.0813  0.3488  0.2302
+ 1913TIP3    H1 7187   0.635   5.266   3.058  3.3191  0.6123  0.9732
+ 1913TIP3    H2 7188   0.713   5.303   2.933  2.5128 -1.9068 -0.3100
+ 1914TIP3   OH2 7189   6.209   5.372   0.701 -0.2899  0.1837  0.6361
+ 1914TIP3    H1 7190   6.124   5.410   0.679 -0.6194 -0.4437  0.8160
+ 1914TIP3    H2 7191   6.189   5.298   0.758  0.4016  0.2645  0.9961
+ 1915TIP3   OH2 7192   0.111   5.331   2.763 -0.2320  0.1555 -0.0163
+ 1915TIP3    H1 7193   0.034   5.274   2.773  1.3321 -2.0478 -0.1741
+ 1915TIP3    H2 7194   0.131   5.360   2.852 -0.8442  0.1999  0.1078
+ 1916TIP3   OH2 7195   2.443   4.550   1.156  0.2970  0.1280  0.9274
+ 1916TIP3    H1 7196   2.531   4.514   1.149  0.4359  0.3967  1.3094
+ 1916TIP3    H2 7197   2.448   4.636   1.115  0.2601  0.2230  1.1190
+ 1917TIP3   OH2 7198   6.621   4.846   2.151 -0.0934 -0.7449  0.5620
+ 1917TIP3    H1 7199   6.528   4.868   2.138 -0.0352 -0.7814  0.0877
+ 1917TIP3    H2 7200   6.652   4.913   2.212 -0.4559 -0.7919  0.8031
+ 1918TIP3   OH2 7201   6.890   0.177   1.240  0.1991 -0.5532 -0.1807
+ 1918TIP3    H1 7202   6.841   0.250   1.202  0.7648 -1.2226 -2.2578
+ 1918TIP3    H2 7203   6.823   0.124   1.283 -0.7518 -0.7059 -1.7909
+ 1919TIP3   OH2 7204   2.306   4.871   6.421  0.0290 -0.2613  0.2270
+ 1919TIP3    H1 7205   2.237   4.807   6.443 -0.8723 -0.6903 -3.5509
+ 1919TIP3    H2 7206   2.259   4.948   6.390  1.2193  0.2599 -0.3214
+ 1920TIP3   OH2 7207   1.352   2.212   0.694 -0.1871 -0.3542 -0.1079
+ 1920TIP3    H1 7208   1.344   2.130   0.645  0.2907 -0.4170 -0.0890
+ 1920TIP3    H2 7209   1.431   2.199   0.748 -0.6936 -0.2837  0.6652
+ 1921TIP3   OH2 7210   1.425   4.356   0.543 -0.3450 -0.3922  0.2336
+ 1921TIP3    H1 7211   1.468   4.436   0.511 -0.1571 -0.1081  1.1824
+ 1921TIP3    H2 7212   1.496   4.301   0.575 -0.6622 -0.0398  1.5484
+ 1922TIP3   OH2 7213   1.399   4.121   0.827  0.2205  0.4254  0.0567
+ 1922TIP3    H1 7214   1.377   4.065   0.902 -1.4731 -1.0530 -1.4763
+ 1922TIP3    H2 7215   1.366   4.207   0.850 -2.0731 -0.4677  0.2288
+ 1923TIP3   OH2 7216   0.727   3.604   3.912  0.2042 -0.4780 -0.1230
+ 1923TIP3    H1 7217   0.678   3.610   3.830 -0.3550  1.5447  0.3401
+ 1923TIP3    H2 7218   0.682   3.535   3.961 -1.2234  0.2776 -0.3405
+ 1924TIP3   OH2 7219   0.335   3.893   1.458 -0.0003  0.5565 -0.4476
+ 1924TIP3    H1 7220   0.424   3.898   1.493 -0.1765  0.3465  0.0342
+ 1924TIP3    H2 7221   0.328   3.804   1.423 -0.3955  0.1899  0.5412
+ 1925TIP3   OH2 7222   0.714   6.303   0.941  0.2794 -0.3478  0.0081
+ 1925TIP3    H1 7223   0.761   6.313   1.023  0.8427 -1.3049 -0.1899
+ 1925TIP3    H2 7224   0.749   6.373   0.885  0.6432 -0.3416  0.2405
+ 1926TIP3   OH2 7225   0.399   2.894   2.879  0.4764 -0.2681 -0.0820
+ 1926TIP3    H1 7226   0.358   2.971   2.839  0.1988  0.1373  0.9752
+ 1926TIP3    H2 7227   0.439   2.927   2.959 -0.0099 -1.3078  0.5999
+ 1927TIP3   OH2 7228   2.720   5.539   2.298  0.0719  0.3138 -0.0991
+ 1927TIP3    H1 7229   2.661   5.580   2.361 -0.1388  0.9897 -0.7213
+ 1927TIP3    H2 7230   2.666   5.527   2.219  0.8059  1.0801 -0.7241
+ 1928TIP3   OH2 7231   4.323   5.315   4.926  0.4341 -0.3963 -0.3826
+ 1928TIP3    H1 7232   4.250   5.268   4.967 -1.3812 -0.0497 -3.0890
+ 1928TIP3    H2 7233   4.389   5.247   4.910 -0.3570 -1.1894 -0.2950
+ 1929TIP3   OH2 7234   0.983   6.375   5.849 -0.5279  0.5464 -0.3248
+ 1929TIP3    H1 7235   1.070   6.337   5.838 -1.2470 -0.9349 -1.2004
+ 1929TIP3    H2 7236   0.970   6.380   5.943  0.6309  1.0850 -0.1879
+ 1930TIP3   OH2 7237   0.917   2.520   2.914  0.5017 -0.0406 -0.2419
+ 1930TIP3    H1 7238   0.907   2.492   2.823 -0.9702  0.7231 -0.3308
+ 1930TIP3    H2 7239   0.860   2.461   2.963  2.0345 -1.0810  0.3187
+ 1931TIP3   OH2 7240   0.487   4.679   1.964  0.3324 -0.5471 -0.3198
+ 1931TIP3    H1 7241   0.578   4.661   1.985  0.2541 -2.4877 -1.5326
+ 1931TIP3    H2 7242   0.490   4.751   1.901  0.9817 -0.1792  0.1309
+ 1932TIP3   OH2 7243   6.348   6.368   5.601  0.2587 -0.3976 -0.0799
+ 1932TIP3    H1 7244   6.343   6.456   5.563 -0.8060  0.1198  1.2463
+ 1932TIP3    H2 7245   6.258   6.336   5.598  0.2512 -0.5391  1.5594
+ 1933TIP3   OH2 7246   0.402   4.527   0.136 -0.1562 -0.5839 -0.4387
+ 1933TIP3    H1 7247   0.411   4.507   0.229 -1.6940 -1.5027 -0.4662
+ 1933TIP3    H2 7248   0.342   4.601   0.133 -0.8148 -1.1132 -0.7147
+ 1934TIP3   OH2 7249   1.525   6.282   1.732 -0.1668  0.2616 -0.1038
+ 1934TIP3    H1 7250   1.487   6.324   1.809  0.1397  1.6810 -0.7161
+ 1934TIP3    H2 7251   1.614   6.258   1.759 -0.4171 -0.2057  0.3151
+ 1935TIP3   OH2 7252   4.157   4.394   2.141  0.6853 -0.4973  0.7402
+ 1935TIP3    H1 7253   4.202   4.400   2.057 -0.6493  0.8851  0.0937
+ 1935TIP3    H2 7254   4.209   4.450   2.199  0.4899  0.1425  0.3088
+ 1936TIP3   OH2 7255   5.066   5.768   2.034  0.1156  0.2643 -0.4060
+ 1936TIP3    H1 7256   5.079   5.820   2.113 -1.5085  0.9498 -0.5738
+ 1936TIP3    H2 7257   5.099   5.681   2.057  0.0893  0.5814  0.8756
+ 1937TIP3   OH2 7258   4.034   2.637   1.171  0.3489 -0.3509 -0.5606
+ 1937TIP3    H1 7259   3.949   2.596   1.186 -0.4665  1.8633  0.9752
+ 1937TIP3    H2 7260   4.093   2.563   1.157 -1.0221 -2.1066  2.4208
+ 1938TIP3   OH2 7261   4.088   4.240   1.884 -0.2193  0.5465  0.5442
+ 1938TIP3    H1 7262   4.109   4.175   1.816  0.3768  0.9209  0.3679
+ 1938TIP3    H2 7263   4.165   4.241   1.941 -0.6177  0.4156  1.0880
+ 1939TIP3   OH2 7264   3.204   5.688   0.113  0.0534 -0.0446  0.0484
+ 1939TIP3    H1 7265   3.214   5.759   0.049  1.4834  0.0123  0.3210
+ 1939TIP3    H2 7266   3.116   5.655   0.098  0.0450  0.5695 -1.3554
+ 1940TIP3   OH2 7267   1.366   5.576   1.026 -0.6702  0.4601  0.5810
+ 1940TIP3    H1 7268   1.303   5.572   0.953  0.4355  2.1428 -0.5118
+ 1940TIP3    H2 7269   1.352   5.495   1.074 -0.2613 -1.5359 -2.4968
+ 1941TIP3   OH2 7270   4.132   5.089   5.954  0.6612 -0.1556 -0.2697
+ 1941TIP3    H1 7271   4.217   5.045   5.952 -0.6135 -2.6889 -1.3660
+ 1941TIP3    H2 7272   4.113   5.108   5.862 -0.2755 -0.2899 -0.1133
+ 1942TIP3   OH2 7273   4.766   5.726   1.383 -0.3154  0.0092  0.1325
+ 1942TIP3    H1 7274   4.749   5.711   1.476 -0.7949  0.2887  0.0946
+ 1942TIP3    H2 7275   4.679   5.728   1.343 -0.0694 -1.0367 -0.4729
+ 1943TIP3   OH2 7276   2.231   2.713   1.813 -0.0416 -0.0088  0.0067
+ 1943TIP3    H1 7277   2.160   2.722   1.749 -0.9024 -2.1761  0.6335
+ 1943TIP3    H2 7278   2.301   2.768   1.778 -0.9079 -0.2847 -2.2410
+ 1944TIP3   OH2 7279   3.731   1.578   1.316  0.1953  0.8709  0.2505
+ 1944TIP3    H1 7280   3.781   1.659   1.325  0.4458  0.7369  0.0888
+ 1944TIP3    H2 7281   3.664   1.583   1.384  1.5953  0.1983  1.7127
+ 1945TIP3   OH2 7282   2.594   3.024   1.542 -0.0098 -0.1488 -0.6886
+ 1945TIP3    H1 7283   2.547   3.062   1.616  0.5262  1.7733 -1.2946
+ 1945TIP3    H2 7284   2.662   2.970   1.582  0.6433  1.3329  0.2651
+ 1946TIP3   OH2 7285   2.055   3.985   6.403  0.1035 -0.2445 -0.0723
+ 1946TIP3    H1 7286   2.097   3.921   6.346  0.4321 -0.4598  0.4055
+ 1946TIP3    H2 7287   1.968   3.948   6.420 -0.5338  0.5230 -1.5974
+ 1947TIP3   OH2 7288   2.313   3.937   6.748 -0.2465 -0.1428 -0.5591
+ 1947TIP3    H1 7289   2.357   3.879   6.809 -2.0628 -0.5749  0.3759
+ 1947TIP3    H2 7290   2.272   3.879   6.684 -0.7927  0.1723 -0.5024
+ 1948TIP3   OH2 7291   4.100   4.741   1.674 -0.3669 -0.4889  0.0862
+ 1948TIP3    H1 7292   4.085   4.706   1.587  1.2999  0.3575 -0.5754
+ 1948TIP3    H2 7293   4.143   4.670   1.722 -2.2731 -1.3349  0.5859
+ 1949TIP3   OH2 7294   3.903   4.967   2.748 -0.0310  0.1099 -0.3544
+ 1949TIP3    H1 7295   3.944   4.934   2.668 -0.2320  2.4779 -1.4859
+ 1949TIP3    H2 7296   3.976   4.983   2.807  0.0416 -2.6427  0.3671
+ 1950TIP3   OH2 7297   4.406   1.573   1.578 -0.0909 -0.1013 -0.4053
+ 1950TIP3    H1 7298   4.491   1.618   1.579 -0.2254  0.1463  0.5926
+ 1950TIP3    H2 7299   4.361   1.606   1.656 -0.9259 -0.5762 -0.6836
+ 1951TIP3   OH2 7300   3.545   5.980   6.809  0.3200  0.1991  0.2672
+ 1951TIP3    H1 7301   3.628   5.949   6.774 -0.4248 -1.1030 -0.4009
+ 1951TIP3    H2 7302   3.479   5.927   6.765 -0.8111  0.5470  1.4961
+ 1952TIP3   OH2 7303   3.366   5.452   0.993  0.3415 -0.0276 -0.0189
+ 1952TIP3    H1 7304   3.395   5.415   1.076  1.5391  1.2107  0.1296
+ 1952TIP3    H2 7305   3.272   5.438   0.992 -0.0709  2.1528  2.6948
+ 1953TIP3   OH2 7306   4.826   4.500   0.858  0.4263 -0.0613 -0.1093
+ 1953TIP3    H1 7307   4.887   4.441   0.814  0.4075  0.1569 -0.4249
+ 1953TIP3    H2 7308   4.740   4.478   0.822  0.3002 -0.4316  0.4027
+ 1954TIP3   OH2 7309   2.481   3.377   0.722  0.2529  0.7688  0.2796
+ 1954TIP3    H1 7310   2.511   3.424   0.645  1.3508  0.3238  0.4342
+ 1954TIP3    H2 7311   2.500   3.435   0.795 -1.3489  1.4547  0.1733
+ 1955TIP3   OH2 7312   3.929   5.524   0.203  0.2105  0.5523  0.4286
+ 1955TIP3    H1 7313   3.992   5.486   0.264 -0.5426  0.1568  0.9673
+ 1955TIP3    H2 7314   3.866   5.569   0.258  0.3267  1.4357 -0.1427
+ 1956TIP3   OH2 7315   1.640   3.551   6.106 -0.1806 -0.2471  0.1866
+ 1956TIP3    H1 7316   1.563   3.595   6.070 -1.5782 -1.6652  1.3578
+ 1956TIP3    H2 7317   1.615   3.459   6.109  1.3142 -0.6340  1.2013
+ 1957TIP3   OH2 7318   4.262   4.531   2.362 -0.1879  0.1074  0.2107
+ 1957TIP3    H1 7319   4.294   4.464   2.422  0.5858  1.5686  1.4701
+ 1957TIP3    H2 7320   4.341   4.564   2.318 -0.4558  0.7546  0.2045
+ 1958TIP3   OH2 7321   4.256   1.881   2.206  0.1117  0.4401  0.2269
+ 1958TIP3    H1 7322   4.267   1.881   2.301  1.8891 -1.2767  0.0634
+ 1958TIP3    H2 7323   4.317   1.948   2.175  2.0319 -1.3135  0.1000
+ 1959TIP3   OH2 7324   4.982   0.734   1.526  0.8160  0.0350 -0.1939
+ 1959TIP3    H1 7325   5.018   0.803   1.471  0.6208 -1.6957 -2.5464
+ 1959TIP3    H2 7326   5.000   0.653   1.478 -1.0170 -1.3583  1.3973
+ 1960TIP3   OH2 7327   5.430   5.802   0.664  0.2949  0.2530  0.4956
+ 1960TIP3    H1 7328   5.412   5.799   0.758  2.6539 -0.5132  0.9537
+ 1960TIP3    H2 7329   5.512   5.851   0.657 -0.3676  1.1559 -1.2649
+ 1961TIP3   OH2 7330   3.092   2.966   1.728 -0.0172  0.1875 -0.2561
+ 1961TIP3    H1 7331   3.012   2.994   1.774 -1.3659 -3.3345 -0.2769
+ 1961TIP3    H2 7332   3.067   2.965   1.636 -0.1638 -1.5363 -0.2057
+ 1962TIP3   OH2 7333   3.909   3.286   0.547  0.3627 -0.4141 -0.0715
+ 1962TIP3    H1 7334   3.857   3.277   0.627  1.1260  0.8652  0.5856
+ 1962TIP3    H2 7335   3.848   3.263   0.477  0.1494 -3.1855  0.9658
+ 1963TIP3   OH2 7336   5.598   2.988   1.705  0.4776  0.3741  0.1009
+ 1963TIP3    H1 7337   5.524   3.045   1.685  0.4415  0.2424 -0.1469
+ 1963TIP3    H2 7338   5.672   3.048   1.717 -0.0242  0.6142  2.0461
+ 1964TIP3   OH2 7339   4.634   5.179   6.049  0.9743 -0.1259 -0.1925
+ 1964TIP3    H1 7340   4.703   5.184   5.982  0.4157 -0.7531 -0.8128
+ 1964TIP3    H2 7341   4.567   5.122   6.012  0.5544 -0.3094  0.8133
+ 1965TIP3   OH2 7342   4.408   5.863   5.878 -0.0103  0.3739  0.1524
+ 1965TIP3    H1 7343   4.456   5.840   5.798  0.5380 -0.2028  0.6446
+ 1965TIP3    H2 7344   4.473   5.905   5.934 -0.4294  0.9048  0.2419
+ 1966TIP3   OH2 7345   2.054   4.646   5.842  0.2594 -0.3114 -0.2233
+ 1966TIP3    H1 7346   2.066   4.573   5.782  0.9408  0.9321 -1.6581
+ 1966TIP3    H2 7347   2.143   4.674   5.864  0.0225  0.6239 -0.4028
+ 1967TIP3   OH2 7348   4.770   3.565   1.585  0.2992  0.2387  0.4322
+ 1967TIP3    H1 7349   4.829   3.542   1.513 -0.3315  0.9820 -0.3347
+ 1967TIP3    H2 7350   4.785   3.658   1.600 -0.5066  0.3803  0.3790
+ 1968TIP3   OH2 7351   4.213   5.312   1.555 -0.5915 -0.2816  0.1586
+ 1968TIP3    H1 7352   4.216   5.408   1.566  0.2761 -0.1560 -1.1387
+ 1968TIP3    H2 7353   4.150   5.283   1.622 -1.4259  1.2654  0.0743
+ 1969TIP3   OH2 7354   4.095   5.351   2.127  0.2119 -0.7680 -0.5622
+ 1969TIP3    H1 7355   4.034   5.361   2.053 -0.5888  0.2639  0.2221
+ 1969TIP3    H2 7356   4.062   5.274   2.175  1.0637 -1.7827 -1.5743
+ 1970TIP3   OH2 7357   5.026   4.125   6.623 -0.4570  0.0155 -0.3246
+ 1970TIP3    H1 7358   5.036   4.097   6.714 -0.0779 -0.7522 -0.6000
+ 1970TIP3    H2 7359   5.110   4.167   6.601 -0.1762 -0.7105 -0.6388
+ 1971TIP3   OH2 7360   3.304   6.225   1.562 -0.7144 -0.0821 -0.4403
+ 1971TIP3    H1 7361   3.232   6.238   1.501 -0.9335  0.9292  0.0086
+ 1971TIP3    H2 7362   3.288   6.290   1.632  1.5445  1.3677 -1.1941
+ 1972TIP3   OH2 7363   3.324   4.157   0.074  0.2086 -0.5087  0.2968
+ 1972TIP3    H1 7364   3.341   4.086   0.135  1.3242 -0.2071  0.3527
+ 1972TIP3    H2 7365   3.229   4.164   0.071  0.1225 -1.1080  1.3232
+ 1973TIP3   OH2 7366   2.960   3.958   1.772  0.6485 -1.0814  0.2053
+ 1973TIP3    H1 7367   3.001   4.009   1.842  0.5581  2.9539 -2.5154
+ 1973TIP3    H2 7368   3.028   3.947   1.706 -1.1809  1.5026 -2.2256
+ 1974TIP3   OH2 7369   3.833   4.774   0.460  0.7587  0.3440  0.4315
+ 1974TIP3    H1 7370   3.844   4.853   0.513 -1.0535 -0.0866  1.4596
+ 1974TIP3    H2 7371   3.742   4.776   0.432  0.3302 -2.0506  1.5431
+ 1975TIP3   OH2 7372   2.310   6.356   1.594  0.1273  0.0418  0.4230
+ 1975TIP3    H1 7373   2.294   6.319   1.507 -0.1765 -1.4222  1.0953
+ 1975TIP3    H2 7374   2.272   6.293   1.654  1.9916  0.1477  1.7263
+ 1976TIP3   OH2 7375   4.794   1.770   0.779 -0.2920  0.3969 -0.0849
+ 1976TIP3    H1 7376   4.883   1.734   0.778 -0.3950  0.0866  0.9849
+ 1976TIP3    H2 7377   4.753   1.733   0.701 -0.6407 -2.4796  1.3800
+ 1977TIP3   OH2 7378   4.213   6.503   0.423 -0.9092  0.7794  0.0779
+ 1977TIP3    H1 7379   4.271   6.465   0.357 -1.7356  0.7082 -0.6174
+ 1977TIP3    H2 7380   4.125   6.496   0.385 -1.5640 -0.5174  1.7569
+ 1978TIP3   OH2 7381   3.030   0.693   2.292  0.0754  0.0919 -0.2217
+ 1978TIP3    H1 7382   2.972   0.768   2.302  0.6019  0.3056  1.4177
+ 1978TIP3    H2 7383   3.076   0.709   2.209 -2.4589 -0.2877 -1.7340
+ 1979TIP3   OH2 7384   2.556   6.481   0.834 -0.0041  0.1085  0.1718
+ 1979TIP3    H1 7385   2.486   6.416   0.826 -0.4979  0.6971 -0.4316
+ 1979TIP3    H2 7386   2.517   6.561   0.799  1.0288  0.4074 -0.2990
+ 1980TIP3   OH2 7387   2.473   5.123   1.950  0.1829 -0.2479  0.7344
+ 1980TIP3    H1 7388   2.469   5.213   1.920  1.3630 -0.4370 -0.0049
+ 1980TIP3    H2 7389   2.546   5.084   1.902 -0.5231 -1.6901  0.7867
+ 1981TIP3   OH2 7390   4.375   4.357   1.921  0.1378 -0.1835  0.5051
+ 1981TIP3    H1 7391   4.409   4.268   1.924  0.9639  0.0805 -0.6628
+ 1981TIP3    H2 7392   4.434   4.404   1.862 -0.7879  0.9156  0.4235
+ 1982TIP3   OH2 7393   4.392   4.093   1.992  0.0648  0.2382  0.4894
+ 1982TIP3    H1 7394   4.449   4.067   2.064  2.0830 -0.5349 -1.3390
+ 1982TIP3    H2 7395   4.343   4.014   1.970  2.7380 -0.8436 -1.9117
+ 1983TIP3   OH2 7396   6.245   4.752   1.916  0.3638 -0.0219 -0.6717
+ 1983TIP3    H1 7397   6.315   4.758   1.851 -0.4530  1.7940 -1.4119
+ 1983TIP3    H2 7398   6.245   4.838   1.959 -1.5371  0.0699 -0.8211
+ 1984TIP3   OH2 7399   3.752   6.201   1.685  0.0077 -0.3857  0.1576
+ 1984TIP3    H1 7400   3.829   6.168   1.732  0.1109 -0.0330  0.2397
+ 1984TIP3    H2 7401   3.735   6.287   1.724 -0.0515 -0.1928 -0.2887
+ 1985TIP3   OH2 7402   2.694   6.621   0.621 -0.7872  0.3125  0.2149
+ 1985TIP3    H1 7403   2.659   6.532   0.621  0.7235 -0.3005  2.4682
+ 1985TIP3    H2 7404   2.715   6.638   0.529 -1.9427 -1.3098 -0.3713
+ 1986TIP3   OH2 7405   4.253   5.832   0.621 -0.4290 -0.0464 -0.1788
+ 1986TIP3    H1 7406   4.269   5.871   0.707 -2.6441 -2.8089  1.5962
+ 1986TIP3    H2 7407   4.327   5.774   0.607 -0.8882 -0.8511  0.6710
+ 1987TIP3   OH2 7408   4.745   4.449   0.326 -0.0449  0.2649 -0.2238
+ 1987TIP3    H1 7409   4.653   4.427   0.313 -0.0038 -0.0532  0.0283
+ 1987TIP3    H2 7410   4.746   4.544   0.337 -0.6235  0.0181  2.2777
+ 1988TIP3   OH2 7411   2.468   0.070   1.950 -0.4400  0.7227  0.3325
+ 1988TIP3    H1 7412   2.507   0.144   1.903 -1.8638  0.1327 -1.8513
+ 1988TIP3    H2 7413   2.500  -0.008   1.903  1.2382 -0.0947  2.7506
+ 1989TIP3   OH2 7414   3.464   2.640   1.703  0.7711  0.2573  0.0848
+ 1989TIP3    H1 7415   3.524   2.712   1.720  0.1250  0.4891  1.4454
+ 1989TIP3    H2 7416   3.388   2.658   1.758  0.7441 -1.6392  0.7069
+ 1990TIP3   OH2 7417   0.959   2.964   2.063 -0.0999 -0.3785  0.0712
+ 1990TIP3    H1 7418   0.978   2.877   2.098  0.8691  0.1895  0.9832
+ 1990TIP3    H2 7419   0.865   2.965   2.050 -0.2531 -1.1895  1.0948
+ 1991TIP3   OH2 7420   2.441   4.527   2.363  0.2273 -0.6442 -0.6246
+ 1991TIP3    H1 7421   2.488   4.548   2.443 -2.0178  2.9533 -0.1399
+ 1991TIP3    H2 7422   2.379   4.458   2.389  0.9158 -0.9499  0.2262
+ 1992TIP3   OH2 7423   2.049   4.344   6.776 -0.2144 -0.5569  0.3203
+ 1992TIP3    H1 7424   2.135   4.387   6.777 -0.3862 -0.2002  0.1141
+ 1992TIP3    H2 7425   2.065   4.259   6.736 -0.2619  0.2051 -1.3833
+ 1993TIP3   OH2 7426   4.854   3.745   0.741  0.4550 -0.2423 -0.6576
+ 1993TIP3    H1 7427   4.934   3.717   0.696  1.2287 -0.7755  1.0118
+ 1993TIP3    H2 7428   4.786   3.687   0.707  1.1984 -1.2199 -0.5121
+ 1994TIP3   OH2 7429   1.951   5.152   1.378 -0.3753  0.5976  0.7076
+ 1994TIP3    H1 7430   1.872   5.126   1.330 -1.4368  1.4691  1.9267
+ 1994TIP3    H2 7431   1.975   5.237   1.341  0.4203  0.0054 -0.1530
+ 1995TIP3   OH2 7432   2.485   4.326   1.895 -0.3062  0.4654  0.0622
+ 1995TIP3    H1 7433   2.478   4.358   1.805 -0.9519 -3.9857 -1.5671
+ 1995TIP3    H2 7434   2.559   4.266   1.894  0.0358  0.7894  2.6444
+ 1996TIP3   OH2 7435   4.373   4.321   1.557 -0.2676  0.5755 -0.1656
+ 1996TIP3    H1 7436   4.385   4.273   1.475 -2.6339 -3.1364  1.5527
+ 1996TIP3    H2 7437   4.462   4.331   1.592  0.5581  0.3457 -2.1390
+ 1997TIP3   OH2 7438   4.319   6.627   1.991 -0.3467 -0.4627 -0.4410
+ 1997TIP3    H1 7439   4.322   6.721   2.011 -1.4794  0.3770 -3.8149
+ 1997TIP3    H2 7440   4.229   6.612   1.962 -0.0623 -2.5149 -0.3271
+ 1998TIP3   OH2 7441   2.291   5.562   6.771 -0.3108 -0.3761  0.4239
+ 1998TIP3    H1 7442   2.233   5.486   6.767 -0.7541 -0.1471  1.9547
+ 1998TIP3    H2 7443   2.253   5.625   6.710 -0.6591 -0.9132  0.0881
+ 1999TIP3   OH2 7444   2.921   4.416   0.324 -0.0150  0.3006 -0.2495
+ 1999TIP3    H1 7445   2.997   4.457   0.282  0.3943  2.7044  2.6441
+ 1999TIP3    H2 7446   2.853   4.483   0.320 -1.4233 -1.1762 -1.2232
+ 2000TIP3   OH2 7447   4.192   4.460   6.771 -0.3478  0.8567 -0.5567
+ 2000TIP3    H1 7448   4.100   4.432   6.774 -0.2343  0.4609 -0.7156
+ 2000TIP3    H2 7449   4.201   4.506   6.688 -0.1243 -0.0928 -1.0625
+ 2001TIP3   OH2 7450   2.628   4.341   0.917  0.6376 -0.5958  0.4909
+ 2001TIP3    H1 7451   2.640   4.269   0.979  0.1729  1.7384  3.4412
+ 2001TIP3    H2 7452   2.688   4.322   0.845 -0.3681 -4.5057  0.6275
+ 2002TIP3   OH2 7453   1.886   2.802   0.726  0.1166 -0.0780 -0.1838
+ 2002TIP3    H1 7454   1.815   2.864   0.748  0.8340  1.0078 -0.8915
+ 2002TIP3    H2 7455   1.961   2.834   0.775  0.2117 -1.0309  0.2916
+ 2003TIP3   OH2 7456   3.901   4.485   1.510 -0.8701 -0.3437 -0.5004
+ 2003TIP3    H1 7457   3.832   4.551   1.514  0.0973  0.6869 -0.5089
+ 2003TIP3    H2 7458   3.969   4.524   1.455  0.8550 -0.2500  1.6298
+ 2004TIP3   OH2 7459   2.537   4.375   1.599  0.4110  0.0473 -0.1066
+ 2004TIP3    H1 7460   2.494   4.291   1.619  1.3555 -0.3276  0.4152
+ 2004TIP3    H2 7461   2.584   4.359   1.518 -2.0357  1.0615 -1.7768
+ 2005TIP3   OH2 7462   0.679   4.777   1.355  0.0085 -0.3852  0.4946
+ 2005TIP3    H1 7463   0.755   4.718   1.362  0.1281 -0.5648 -1.8495
+ 2005TIP3    H2 7464   0.697   4.846   1.418  1.3078 -1.3311  1.1937
+ 2006TIP3   OH2 7465   1.870   6.088   1.252  0.3232  0.1209 -0.1089
+ 2006TIP3    H1 7466   1.896   6.179   1.262  0.1651  0.1047  0.5133
+ 2006TIP3    H2 7467   1.827   6.083   1.167 -0.3121  0.7816  0.1723
+ 2007TIP3   OH2 7468   1.315   5.173   3.485  0.3855  0.0378 -0.6628
+ 2007TIP3    H1 7469   1.285   5.149   3.573 -2.4611 -1.8961 -2.1067
+ 2007TIP3    H2 7470   1.340   5.090   3.444 -1.9409  0.4222 -2.9738
+ 2008TIP3   OH2 7471   3.799   0.081   0.607  0.4483  0.0741 -0.4862
+ 2008TIP3    H1 7472   3.826  -0.000   0.564  2.2666  1.2706 -1.6499
+ 2008TIP3    H2 7473   3.881   0.125   0.630 -0.5159  1.3599  0.5597
+ 2009TIP3   OH2 7474   3.498   5.161   0.710 -0.0342 -0.0709 -0.1416
+ 2009TIP3    H1 7475   3.410   5.125   0.713 -0.7008  1.4589 -0.6778
+ 2009TIP3    H2 7476   3.547   5.112   0.777 -1.1997 -1.1307 -0.0536
+ 2010TIP3   OH2 7477   1.694   3.645   2.001  0.2418 -0.1731 -0.6091
+ 2010TIP3    H1 7478   1.645   3.569   2.031  0.6535 -0.3547 -0.3903
+ 2010TIP3    H2 7479   1.781   3.611   1.980  0.9568  0.5412  1.1079
+ 2011TIP3   OH2 7480   1.120   4.541   1.196 -0.0952 -0.4927 -0.1227
+ 2011TIP3    H1 7481   1.159   4.597   1.129  2.3929 -1.6734  0.2840
+ 2011TIP3    H2 7482   1.190   4.527   1.260 -1.2134 -2.5925  0.6911
+ 2012TIP3   OH2 7483   3.764   4.916   1.173 -0.2479  0.1735  0.5410
+ 2012TIP3    H1 7484   3.764   4.924   1.269  0.3290 -2.2136  0.7701
+ 2012TIP3    H2 7485   3.818   4.990   1.143 -0.2623  0.8206  2.0470
+ 2013TIP3   OH2 7486   3.118   5.017   1.049 -0.1101  0.2812 -0.3127
+ 2013TIP3    H1 7487   3.119   5.076   0.974 -2.1612  1.0374  0.2130
+ 2013TIP3    H2 7488   3.133   5.073   1.125 -0.9421 -0.0277  0.0877
+ 2014TIP3   OH2 7489   3.201   1.376   0.236 -0.0009 -0.5585 -0.6136
+ 2014TIP3    H1 7490   3.281   1.381   0.289 -0.7906 -1.1425  0.6483
+ 2014TIP3    H2 7491   3.228   1.409   0.150  2.0001 -2.2445 -0.6807
+ 2015TIP3   OH2 7492   5.930   4.309   2.608  0.0831 -0.0768 -0.2807
+ 2015TIP3    H1 7493   5.973   4.271   2.531  1.1049  0.4547  0.0281
+ 2015TIP3    H2 7494   5.881   4.383   2.573  0.1331 -0.1445 -0.4972
+ 2016TIP3   OH2 7495   2.609   4.859   1.693 -0.5933  1.0407 -0.2688
+ 2016TIP3    H1 7496   2.548   4.919   1.652 -1.6515 -0.0187 -0.2819
+ 2016TIP3    H2 7497   2.623   4.790   1.628  0.9878  1.5011 -0.4456
+ 2017TIP3   OH2 7498   4.034   4.945   1.845  0.1842  0.3560 -0.0307
+ 2017TIP3    H1 7499   4.090   4.910   1.776 -0.5409 -2.1085  0.5612
+ 2017TIP3    H2 7500   4.085   4.934   1.925  0.4377  1.8309  0.0089
+ 2018TIP3   OH2 7501   1.293   3.209   2.049 -0.3584 -0.0685 -0.0306
+ 2018TIP3    H1 7502   1.243   3.246   1.977 -1.7235 -2.1193 -0.1945
+ 2018TIP3    H2 7503   1.226   3.169   2.106  0.8694 -0.3920  1.2139
+ 2019TIP3   OH2 7504   5.606   3.781   0.791 -0.2052  0.1769 -0.6123
+ 2019TIP3    H1 7505   5.606   3.804   0.884  0.2153  0.5175 -0.6964
+ 2019TIP3    H2 7506   5.672   3.838   0.752  0.6637 -0.9864 -0.8629
+ 2020TIP3   OH2 7507   1.702   6.044   3.781  0.3352 -0.0005  0.5074
+ 2020TIP3    H1 7508   1.668   5.967   3.737 -0.5097  1.4260 -1.4252
+ 2020TIP3    H2 7509   1.785   6.016   3.820 -0.0670 -1.9105  0.0029
+ 2021TIP3   OH2 7510   0.927   5.082   1.036 -0.6432 -0.3131 -0.0790
+ 2021TIP3    H1 7511   0.948   5.172   1.010  0.5416 -0.5841 -0.0907
+ 2021TIP3    H2 7512   0.862   5.092   1.105 -1.0155  0.5326 -0.5405
+ 2022TIP3   OH2 7513   2.461   5.286   2.540  0.0665  0.3847  0.6936
+ 2022TIP3    H1 7514   2.515   5.302   2.617  1.7834  1.2331 -0.6370
+ 2022TIP3    H2 7515   2.522   5.297   2.466 -1.5025 -0.5422 -0.7610
+ 2023TIP3   OH2 7516   5.609   4.236   1.657  0.0838 -0.6473 -0.1572
+ 2023TIP3    H1 7517   5.655   4.198   1.583 -1.2139 -2.7486  0.0757
+ 2023TIP3    H2 7518   5.518   4.244   1.627 -0.0540  0.4281  0.5053
+ 2024TIP3   OH2 7519   3.641   6.084   6.483  0.1882 -0.4224  1.0489
+ 2024TIP3    H1 7520   3.682   6.116   6.563 -1.0709  1.5798  0.9521
+ 2024TIP3    H2 7521   3.597   6.162   6.447  0.6190 -1.3117 -1.4978
+ 2025TIP3   OH2 7522   3.531   6.440   2.594 -0.6280  0.3369  0.7345
+ 2025TIP3    H1 7523   3.485   6.409   2.516  2.0799 -1.3114 -0.2754
+ 2025TIP3    H2 7524   3.521   6.369   2.657  0.9379 -0.2597  0.3257
+ 2026TIP3   OH2 7525   3.849   6.895   0.949  0.0695 -0.0927 -0.3610
+ 2026TIP3    H1 7526   3.754   6.906   0.960 -0.2095 -1.7117 -0.9536
+ 2026TIP3    H2 7527   3.857   6.829   0.880  1.6620  1.5875 -1.8215
+ 2027TIP3   OH2 7528   3.214   6.060   4.954 -0.7755 -0.2833 -0.1146
+ 2027TIP3    H1 7529   3.125   6.085   4.979 -0.0221  2.4957 -0.0319
+ 2027TIP3    H2 7530   3.271   6.109   5.014  0.8243 -3.1730  0.8364
+ 2028TIP3   OH2 7531   2.202   1.587   6.063  0.3942 -0.5036  0.2788
+ 2028TIP3    H1 7532   2.293   1.586   6.093  0.4582 -1.4035  0.0656
+ 2028TIP3    H2 7533   2.204   1.642   5.985  1.4056 -3.2537 -1.7050
+ 2029TIP3   OH2 7534   1.398   6.331   0.832 -0.9032  0.1293  0.1954
+ 2029TIP3    H1 7535   1.347   6.383   0.770 -1.3919  1.1609  1.4437
+ 2029TIP3    H2 7536   1.343   6.256   0.851 -0.8691 -0.0527 -0.3957
+ 2030TIP3   OH2 7537   3.439   0.272   1.017  0.4122 -0.1268 -0.0271
+ 2030TIP3    H1 7538   3.476   0.187   0.994  3.2550  1.1738 -0.5071
+ 2030TIP3    H2 7539   3.379   0.292   0.945 -1.5487 -2.4136  0.9064
+ 2031TIP3   OH2 7540   4.861   6.490   3.012  0.2047  0.0081  0.1126
+ 2031TIP3    H1 7541   4.805   6.549   3.064  0.4986  2.3331 -2.1264
+ 2031TIP3    H2 7542   4.947   6.499   3.051 -0.0695 -0.1574  0.7672
+ 2032TIP3   OH2 7543   4.101   6.454   2.372  0.2134  0.2730 -0.1168
+ 2032TIP3    H1 7544   4.166   6.425   2.308 -0.3938 -1.5372  0.0594
+ 2032TIP3    H2 7545   4.025   6.479   2.319  0.4661  0.8117 -0.2261
+ 2033TIP3   OH2 7546   4.926   4.138   0.008  0.0591 -0.0867  0.3443
+ 2033TIP3    H1 7547   4.852   4.080  -0.004  0.3092 -0.3602  0.1012
+ 2033TIP3    H2 7548   4.887   4.224   0.027 -0.3492  0.0421 -1.0021
+ 2034TIP3   OH2 7549   4.900   4.743   4.344  0.1265 -0.4457 -0.5384
+ 2034TIP3    H1 7550   4.993   4.761   4.360 -0.4187  1.6732  0.4674
+ 2034TIP3    H2 7551   4.875   4.807   4.277 -0.8307 -0.3300 -0.0723
+ 2035TIP3   OH2 7552   3.198   5.097   5.665  0.7804  0.1499 -0.7098
+ 2035TIP3    H1 7553   3.282   5.067   5.701  0.9746  1.6566  0.1254
+ 2035TIP3    H2 7554   3.138   5.025   5.682  1.2320  0.2200  1.2698
+ 2036TIP3   OH2 7555   3.773   0.676   1.372 -0.2603  0.0730  0.1508
+ 2036TIP3    H1 7556   3.749   0.680   1.280 -0.1384 -0.5461  0.0915
+ 2036TIP3    H2 7557   3.701   0.628   1.414  0.3394 -0.8557  0.1455
+ 2037TIP3   OH2 7558   4.910   5.987   1.151 -0.5472 -0.4758  0.3313
+ 2037TIP3    H1 7559   4.886   6.078   1.168 -3.0161 -1.2965  1.4155
+ 2037TIP3    H2 7560   5.001   5.991   1.122 -1.2639  2.5506 -1.6967
+ 2038TIP3   OH2 7561   2.396   5.894   6.110  0.3352  0.2001 -0.3876
+ 2038TIP3    H1 7562   2.335   5.893   6.183  0.0160  0.2775 -0.6500
+ 2038TIP3    H2 7563   2.420   5.803   6.096  0.9835  0.2644  0.2997
+ 2039TIP3   OH2 7564   3.457   5.333   0.214 -0.1166  0.3207  0.0686
+ 2039TIP3    H1 7565   3.369   5.353   0.246 -1.1696 -1.8637 -1.3834
+ 2039TIP3    H2 7566   3.502   5.295   0.289 -0.9955 -0.2139  0.3321
+ 2040TIP3   OH2 7567   2.196   6.221   5.650 -0.7112 -0.3492  0.3117
+ 2040TIP3    H1 7568   2.138   6.278   5.700  1.5586  1.1436  1.3367
+ 2040TIP3    H2 7569   2.218   6.150   5.710 -0.5893 -0.3177  0.3046
+ 2041TIP3   OH2 7570   3.613   1.099   6.508  0.3989  0.0152 -0.0474
+ 2041TIP3    H1 7571   3.595   1.086   6.415 -1.9398 -0.2641  0.3932
+ 2041TIP3    H2 7572   3.596   1.013   6.548  1.6061  0.0678  0.6170
+ 2042TIP3   OH2 7573   1.841   3.148   0.553 -0.1000 -0.1955 -0.6911
+ 2042TIP3    H1 7574   1.796   3.119   0.632 -0.5477  0.0401 -0.8552
+ 2042TIP3    H2 7575   1.797   3.101   0.482  1.1069 -1.3319 -0.6895
+ 2043TIP3   OH2 7576   3.271   3.921   1.303  0.0448  0.6764  0.3487
+ 2043TIP3    H1 7577   3.313   4.004   1.325  0.1074  1.2123 -1.7163
+ 2043TIP3    H2 7578   3.197   3.946   1.247  0.9823 -0.7693 -1.5631
+ 2044TIP3   OH2 7579   2.847   5.202   0.688 -0.2163 -0.2993 -0.5351
+ 2044TIP3    H1 7580   2.788   5.129   0.708  1.8640 -1.8999 -0.0379
+ 2044TIP3    H2 7581   2.913   5.198   0.757  1.1322  0.7320 -1.7413
+ 2045TIP3   OH2 7582   3.754   5.183   2.198 -0.0118 -0.2557  0.2581
+ 2045TIP3    H1 7583   3.751   5.243   2.273  0.7399 -0.7397  0.6760
+ 2045TIP3    H2 7584   3.691   5.220   2.136  1.1244  1.5052  0.1094
+ 2046TIP3   OH2 7585   3.682   4.226   1.970 -0.2433 -0.1549  0.0080
+ 2046TIP3    H1 7586   3.587   4.236   1.975 -0.2297  0.5117 -0.8654
+ 2046TIP3    H2 7587   3.701   4.218   1.877  0.6896  1.2148  0.0558
+ 2047TIP3   OH2 7588   5.160   4.525   1.231  0.1532 -0.0970  0.0145
+ 2047TIP3    H1 7589   5.197   4.497   1.147  0.1196  1.6961 -0.6041
+ 2047TIP3    H2 7590   5.144   4.618   1.221 -1.7391 -0.2451  1.3132
+ 2048TIP3   OH2 7591   2.046   6.032   1.452  0.1610 -0.0943  0.0878
+ 2048TIP3    H1 7592   2.016   5.943   1.472  0.9224 -0.2414  0.5921
+ 2048TIP3    H2 7593   1.973   6.071   1.404 -1.0529 -0.2861  1.7369
+ 2049TIP3   OH2 7594   0.590   1.989   1.433  0.9297 -0.0399 -0.1717
+ 2049TIP3    H1 7595   0.570   1.964   1.343 -0.9196 -0.5468  0.3509
+ 2049TIP3    H2 7596   0.685   1.984   1.439  0.9181 -2.3865 -1.4171
+ 2050TIP3   OH2 7597   3.945   4.825   2.292 -0.1260 -0.3057 -0.4150
+ 2050TIP3    H1 7598   3.937   4.732   2.274  0.7279 -0.8416  1.8615
+ 2050TIP3    H2 7599   4.015   4.832   2.356 -0.0621  1.9246 -0.6663
+ 2051TIP3   OH2 7600   6.580   5.160   3.140  0.0191 -0.4447  0.1799
+ 2051TIP3    H1 7601   6.633   5.239   3.147  0.0281 -0.4685  0.4012
+ 2051TIP3    H2 7602   6.599   5.125   3.053  1.2168 -1.0527  0.6804
+ 2052TIP3   OH2 7603   3.105   2.586   0.836 -0.2402 -0.3402  0.1166
+ 2052TIP3    H1 7604   3.127   2.594   0.929  3.8880 -0.2257 -0.7689
+ 2052TIP3    H2 7605   3.094   2.676   0.806  1.3892 -0.2034 -0.1134
+ 2053TIP3   OH2 7606   4.319   4.771   4.423 -0.0539  0.6692  0.1893
+ 2053TIP3    H1 7607   4.400   4.757   4.374 -0.1393 -0.8188  0.4568
+ 2053TIP3    H2 7608   4.341   4.746   4.513 -1.1271 -0.8916  0.0339
+ 2054TIP3   OH2 7609   4.480   5.419   1.164 -0.3785  0.0611 -0.0960
+ 2054TIP3    H1 7610   4.426   5.475   1.109  0.7220  1.4824  0.2399
+ 2054TIP3    H2 7611   4.470   5.455   1.252 -1.9219 -2.0345  0.6283
+ 2055TIP3   OH2 7612   0.883   3.931   2.083 -0.1593 -0.3863 -0.2579
+ 2055TIP3    H1 7613   0.971   3.966   2.099  0.5673 -1.5898 -1.4880
+ 2055TIP3    H2 7614   0.832   4.007   2.057  0.0581  0.6213  2.1631
+ 2056TIP3   OH2 7615   1.309   5.243   0.948  0.3013 -0.5871 -0.0383
+ 2056TIP3    H1 7616   1.339   5.153   0.954 -3.6576 -2.1319 -1.7790
+ 2056TIP3    H2 7617   1.249   5.254   1.021 -0.3047  0.1675 -0.6297
+ 2057TIP3   OH2 7618   1.923   4.029   2.640 -0.3088  0.0239  0.1603
+ 2057TIP3    H1 7619   1.973   3.947   2.641 -0.2246  0.0722  2.8008
+ 2057TIP3    H2 7620   1.923   4.058   2.731 -0.7299  2.7419 -0.6820
+ 2058TIP3   OH2 7621   1.464   4.162   2.585 -0.2834 -0.0370  0.2415
+ 2058TIP3    H1 7622   1.501   4.202   2.506 -0.7506  0.2029  0.1434
+ 2058TIP3    H2 7623   1.469   4.231   2.651 -0.4222 -0.0554  0.2702
+ 2059TIP3   OH2 7624   2.900   5.691   1.181  0.4974  0.3608  0.4690
+ 2059TIP3    H1 7625   2.919   5.603   1.149  1.6353 -0.0172  2.1508
+ 2059TIP3    H2 7626   2.962   5.747   1.135  0.0633  0.2389 -0.2773
+ 2060TIP3   OH2 7627   2.698   0.331   3.075  0.4895  0.4634 -0.1255
+ 2060TIP3    H1 7628   2.776   0.315   3.022 -0.2424 -1.9345 -0.5345
+ 2060TIP3    H2 7629   2.627   0.287   3.027 -1.8054  5.1902 -1.4329
+ 2061TIP3   OH2 7630   1.904   5.688   0.201  0.4039  0.3693 -0.0488
+ 2061TIP3    H1 7631   1.910   5.774   0.242 -0.5442  0.5203 -0.2061
+ 2061TIP3    H2 7632   1.858   5.634   0.266 -0.7299  0.5002 -0.7396
+ 2062TIP3   OH2 7633   0.852   1.250   2.309  0.2002 -0.5674 -0.1112
+ 2062TIP3    H1 7634   0.762   1.241   2.340  0.0441  1.5824  0.1770
+ 2062TIP3    H2 7635   0.849   1.222   2.217 -1.0801  0.7843 -0.5072
+ 2063TIP3   OH2 7636   0.926   5.479   5.372  0.1784  0.3376  0.0880
+ 2063TIP3    H1 7637   0.931   5.505   5.280 -1.2047  0.0233 -0.0885
+ 2063TIP3    H2 7638   0.847   5.523   5.405  0.4454  0.1241  1.0174
+ 2064TIP3   OH2 7639   1.260   6.136   2.816  0.3484 -0.1686  0.0974
+ 2064TIP3    H1 7640   1.316   6.121   2.892 -1.3386 -0.2092  1.3442
+ 2064TIP3    H2 7641   1.218   6.220   2.833 -0.4987 -0.4681 -0.4950
+ 2065TIP3   OH2 7642   2.418   5.653   0.669 -0.3128 -0.1989 -0.0443
+ 2065TIP3    H1 7643   2.425   5.653   0.573  0.4226  0.8280 -0.0019
+ 2065TIP3    H2 7644   2.508   5.643   0.700 -0.6485 -1.4290  0.5449
+ 2066TIP3   OH2 7645   5.338   4.229   0.863 -0.1308  0.3481  0.5509
+ 2066TIP3    H1 7646   5.426   4.252   0.893 -0.5332  0.1387  1.9725
+ 2066TIP3    H2 7647   5.352   4.178   0.783  1.0425  0.3059  0.7689
+ 2067TIP3   OH2 7648   4.302   3.211   1.194 -0.0746 -0.2175 -0.0445
+ 2067TIP3    H1 7649   4.383   3.172   1.161  0.4690  1.8581 -1.2226
+ 2067TIP3    H2 7650   4.311   3.209   1.290  0.7911 -1.1597 -0.1462
+ 2068TIP3   OH2 7651   3.365   4.973   0.236 -0.3824 -0.0385  0.2876
+ 2068TIP3    H1 7652   3.343   4.957   0.144  2.5397  0.8923 -0.6014
+ 2068TIP3    H2 7653   3.298   5.034   0.266 -0.2324  1.1893 -1.7926
+ 2069TIP3   OH2 7654   2.492   4.390   0.004 -0.4287  0.1817  0.3614
+ 2069TIP3    H1 7655   2.495   4.422   0.094  0.2073  0.5681  0.2064
+ 2069TIP3    H2 7656   2.416   4.433  -0.034 -0.7376 -0.0323  0.7342
+ 2070TIP3   OH2 7657   2.955   3.611   2.005 -0.1822  0.4825 -0.1191
+ 2070TIP3    H1 7658   2.905   3.604   2.087 -1.0238 -0.2658 -0.6916
+ 2070TIP3    H2 7659   2.978   3.703   1.999 -1.2866  0.7825  0.2717
+ 2071TIP3   OH2 7660   3.484   6.332   2.341  0.3371  0.1076 -0.5816
+ 2071TIP3    H1 7661   3.557   6.273   2.359 -0.3258 -1.1317 -1.8634
+ 2071TIP3    H2 7662   3.409   6.289   2.383  0.2018  0.9793  0.0690
+ 2072TIP3   OH2 7663   1.640   0.017   5.354  0.4239  0.4036  0.2301
+ 2072TIP3    H1 7664   1.715  -0.034   5.385 -0.3755  0.0842  1.7091
+ 2072TIP3    H2 7665   1.673   0.066   5.279  1.7588 -0.7229  0.0642
+ 2073TIP3   OH2 7666   4.178   3.445   1.511  0.0967 -0.3665  0.4071
+ 2073TIP3    H1 7667   4.262   3.401   1.499 -0.2515 -0.8952 -0.0831
+ 2073TIP3    H2 7668   4.156   3.429   1.603  0.0285 -1.1121  0.2632
+ 2074TIP3   OH2 7669   1.362   0.789   1.906 -0.1714  0.2208  0.6933
+ 2074TIP3    H1 7670   1.395   0.858   1.963  0.9954 -0.1042  0.4356
+ 2074TIP3    H2 7671   1.382   0.708   1.954 -1.2234  0.0531  0.8429
+ 2075TIP3   OH2 7672   2.597   5.105   2.216  0.2596 -0.3621 -0.6090
+ 2075TIP3    H1 7673   2.527   5.120   2.152 -0.0639 -1.2918 -0.4887
+ 2075TIP3    H2 7674   2.637   5.023   2.189 -0.0138 -0.8785  0.4875
+ 2076TIP3   OH2 7675   4.826   2.333   6.733  0.0585  0.4689  0.2709
+ 2076TIP3    H1 7676   4.896   2.295   6.787  1.2894  1.3872 -0.6342
+ 2076TIP3    H2 7677   4.760   2.264   6.727  0.9673 -0.4870  0.9985
+ 2077TIP3   OH2 7678   2.966   3.353   1.452 -0.2242 -0.0117 -0.8250
+ 2077TIP3    H1 7679   2.884   3.401   1.461 -1.2216 -1.1939 -2.9722
+ 2077TIP3    H2 7680   3.008   3.390   1.374  0.8106 -0.0841 -0.3211
+ 2078TIP3   OH2 7681   4.042   5.788   2.087 -0.8612  0.6344  0.2023
+ 2078TIP3    H1 7682   4.051   5.793   2.182 -1.4406 -1.5246  0.3971
+ 2078TIP3    H2 7683   4.079   5.870   2.055 -0.7115  1.4082  2.2896
+ 2079TIP3   OH2 7684   3.276   4.150   1.720  0.9221 -0.4931  0.6821
+ 2079TIP3    H1 7685   3.303   4.126   1.631 -2.1834 -0.1759 -0.4118
+ 2079TIP3    H2 7686   3.268   4.245   1.717 -0.7799 -0.6251  0.8151
+ 2080TIP3   OH2 7687   3.755   6.640   6.117  0.1049 -0.3502 -0.4786
+ 2080TIP3    H1 7688   3.814   6.701   6.072 -0.2452 -0.0609 -0.5502
+ 2080TIP3    H2 7689   3.668   6.678   6.104  0.0082 -0.2094  0.5254
+ 2081TIP3   OH2 7690   4.751   3.834   1.612  0.4976 -0.6625  0.0845
+ 2081TIP3    H1 7691   4.658   3.816   1.628  0.6856 -1.3798  0.3633
+ 2081TIP3    H2 7692   4.751   3.916   1.562 -0.2937 -0.7573 -0.0755
+ 2082TIP3   OH2 7693   3.626   4.236   2.349 -0.7290  0.0263 -0.4654
+ 2082TIP3    H1 7694   3.657   4.163   2.403  0.5717 -0.2381 -1.5336
+ 2082TIP3    H2 7695   3.569   4.196   2.284  0.9733 -0.2611 -1.8396
+ 2083TIP3   OH2 7696   2.730   4.842   1.152 -0.4584 -0.2645  0.7787
+ 2083TIP3    H1 7697   2.800   4.792   1.194 -1.8868 -1.7099  1.5092
+ 2083TIP3    H2 7698   2.727   4.925   1.199  1.8271  0.5031 -0.3286
+ 2084TIP3   OH2 7699   2.852   5.138   1.060 -0.1332 -0.3719 -0.3976
+ 2084TIP3    H1 7700   2.804   5.097   1.132  0.9896 -0.3712  0.3696
+ 2084TIP3    H2 7701   2.925   5.079   1.043 -0.3132 -0.3008 -1.4592
+ 2085TIP3   OH2 7702   1.434   3.537   0.980 -0.1785  0.6004 -0.1830
+ 2085TIP3    H1 7703   1.423   3.504   0.891  0.5661 -0.0674 -0.0360
+ 2085TIP3    H2 7704   1.420   3.631   0.973  1.0724  0.7240 -1.2437
+ 2086TIP3   OH2 7705   1.962   6.344   1.355  0.3229 -0.2880  0.3572
+ 2086TIP3    H1 7706   1.990   6.388   1.434  2.1449 -0.9226  0.0898
+ 2086TIP3    H2 7707   1.868   6.361   1.350  0.5732  1.5671  1.4860
+ 2087TIP3   OH2 7708   2.260   0.034   6.745 -0.3219  0.7745 -0.1809
+ 2087TIP3    H1 7709   2.300   0.106   6.698  0.4044 -0.2016 -1.0815
+ 2087TIP3    H2 7710   2.293  -0.045   6.701 -1.0658 -0.1019  0.8049
+ 2088TIP3   OH2 7711   2.410   1.536   6.599 -0.0893 -0.5942 -0.1159
+ 2088TIP3    H1 7712   2.446   1.624   6.602  1.7475 -1.3057 -0.4374
+ 2088TIP3    H2 7713   2.350   1.531   6.673  0.6482  0.5580  0.5595
+ 2089TIP3   OH2 7714   1.180   6.307   3.021  0.1106 -0.2296  0.5336
+ 2089TIP3    H1 7715   1.085   6.294   3.014 -0.0014  0.9113 -0.1602
+ 2089TIP3    H2 7716   1.190   6.399   3.046  1.0409 -0.2518  0.2591
+ 2090TIP3   OH2 7717   4.790   6.636   1.250  0.0799 -0.2965 -0.1726
+ 2090TIP3    H1 7718   4.789   6.572   1.180 -1.8459 -0.2148 -0.2424
+ 2090TIP3    H2 7719   4.882   6.657   1.263  0.5037 -0.9522 -2.0898
+ 2091TIP3   OH2 7720   5.978   3.377   2.265 -0.2959  0.2892  0.1880
+ 2091TIP3    H1 7721   5.907   3.334   2.218  0.8076 -1.2546 -0.1161
+ 2091TIP3    H2 7722   5.939   3.458   2.298 -2.2051 -0.5394  0.0710
+ 2092TIP3   OH2 7723   0.869   5.789   4.677  0.3577 -0.2876 -0.6003
+ 2092TIP3    H1 7724   0.775   5.800   4.691  0.6611  0.5692  0.8302
+ 2092TIP3    H2 7725   0.877   5.768   4.584 -1.1685  0.5643 -0.9419
+ 2093TIP3   OH2 7726   3.717   4.620   6.695 -0.0198 -0.3689  0.3375
+ 2093TIP3    H1 7727   3.766   4.686   6.646 -0.6695 -0.3895 -0.3558
+ 2093TIP3    H2 7728   3.782   4.577   6.750  0.4800  0.5912  0.5144
+ 2094TIP3   OH2 7729   5.955   5.092   1.510  0.1270 -0.0130  0.5413
+ 2094TIP3    H1 7730   5.925   5.002   1.509 -0.8703  0.3154 -1.0913
+ 2094TIP3    H2 7731   6.050   5.086   1.526  0.1077 -1.3476  0.2020
+ 2095TIP3   OH2 7732   4.689   4.310   2.645  0.3478 -0.2435  0.7371
+ 2095TIP3    H1 7733   4.730   4.249   2.585  0.6241 -0.1488  0.8291
+ 2095TIP3    H2 7734   4.762   4.353   2.690  0.1559  0.1873  0.6380
+ 2096TIP3   OH2 7735   3.129   4.098   1.970 -0.3552 -0.2289 -0.8142
+ 2096TIP3    H1 7736   3.195   4.040   2.008 -0.2706 -0.8813 -1.9337
+ 2096TIP3    H2 7737   3.175   4.142   1.898 -0.4804  1.0714 -0.0981
+ 2097TIP3   OH2 7738   5.367   5.876   0.967 -0.1933  0.5096  0.4099
+ 2097TIP3    H1 7739   5.322   5.793   0.985  0.9411  0.4798  3.4932
+ 2097TIP3    H2 7740   5.440   5.877   1.029 -0.1296  3.7840  0.3580
+ 2098TIP3   OH2 7741   5.786   3.362   0.770 -0.2086  0.1019 -0.2055
+ 2098TIP3    H1 7742   5.877   3.334   0.779  0.2340  1.9025  1.0189
+ 2098TIP3    H2 7743   5.749   3.355   0.858 -0.1357  3.1113  0.1170
+ 2099TIP3   OH2 7744   3.406   4.473   1.830 -0.4533  0.6174  0.2885
+ 2099TIP3    H1 7745   3.372   4.499   1.744  0.4491  1.5986  0.2078
+ 2099TIP3    H2 7746   3.489   4.520   1.837  0.4071 -0.9438  0.8936
+ 2100TIP3   OH2 7747   3.913   1.445   0.169 -0.1860 -0.0752 -0.1779
+ 2100TIP3    H1 7748   3.919   1.401   0.085  0.6645 -0.1882 -0.0581
+ 2100TIP3    H2 7749   3.967   1.393   0.228 -0.3088  0.3305  0.2994
+ 2101TIP3   OH2 7750   2.626   5.078   5.998 -0.0613  0.2924  0.5468
+ 2101TIP3    H1 7751   2.716   5.068   6.031 -0.1084 -0.8406  0.3592
+ 2101TIP3    H2 7752   2.571   5.045   6.069 -0.1354 -2.7093 -0.8503
+ 2102TIP3   OH2 7753   3.260   3.803   1.997 -0.2709  0.0018  0.1368
+ 2102TIP3    H1 7754   3.352   3.823   1.984 -0.0455 -0.9998  0.1675
+ 2102TIP3    H2 7755   3.232   3.763   1.915 -1.0669  1.6755 -0.4251
+ 2103TIP3   OH2 7756   4.209   4.926   6.635 -0.1061  0.1174 -0.0798
+ 2103TIP3    H1 7757   4.194   4.873   6.714 -2.2115  0.1248 -0.4496
+ 2103TIP3    H2 7758   4.134   4.984   6.630 -0.5904 -0.6619 -2.7305
+ 2104TIP3   OH2 7759   3.635   2.766   1.109  0.1348  0.1138  0.4969
+ 2104TIP3    H1 7760   3.702   2.803   1.166  0.7650 -0.1420 -0.0751
+ 2104TIP3    H2 7761   3.680   2.750   1.026 -1.3301  2.5652 -0.8037
+ 2105TIP3   OH2 7762   3.219   4.448   0.173 -0.0083  0.1983  0.6532
+ 2105TIP3    H1 7763   3.277   4.523   0.158 -0.6993  1.0525  2.1700
+ 2105TIP3    H2 7764   3.250   4.382   0.111  0.6371  1.7144 -0.6947
+ 2106TIP3   OH2 7765   2.642   6.022   0.134  0.4802 -0.0260  0.2062
+ 2106TIP3    H1 7766   2.572   5.968   0.099 -0.2473  1.4557 -0.7120
+ 2106TIP3    H2 7767   2.711   5.960   0.158 -1.0346 -1.4731  0.8953
+ 2107TIP3   OH2 7768   3.195   6.551   3.102  0.1397 -0.0014  0.0468
+ 2107TIP3    H1 7769   3.195   6.629   3.047  4.7659 -0.1633 -0.3185
+ 2107TIP3    H2 7770   3.140   6.488   3.054 -1.3953  2.0564 -0.9724
+ 2108TIP3   OH2 7771   4.596   5.953   1.157  0.1268  0.1357 -0.1073
+ 2108TIP3    H1 7772   4.544   5.876   1.181 -0.2112 -0.7119 -3.3744
+ 2108TIP3    H2 7773   4.678   5.917   1.125  0.6397  1.2314 -0.0218
+ 2109TIP3   OH2 7774   1.906   4.887   6.724 -0.4261 -0.2379 -0.6593
+ 2109TIP3    H1 7775   1.847   4.818   6.755  0.7634 -0.8038  0.4286
+ 2109TIP3    H2 7776   1.867   4.968   6.755  1.3752 -0.8436  3.6814
+ 2110TIP3   OH2 7777   1.699   4.587   6.166  1.3125 -0.7081  0.1951
+ 2110TIP3    H1 7778   1.669   4.611   6.078  0.5296 -1.2734  0.3011
+ 2110TIP3    H2 7779   1.738   4.501   6.155  1.8245 -0.4881  0.2795
+ 2111TIP3   OH2 7780   2.044   5.485   6.543 -0.0063  0.0147 -0.8770
+ 2111TIP3    H1 7781   2.109   5.416   6.556  0.6623  0.8464  0.1786
+ 2111TIP3    H2 7782   2.009   5.468   6.455  0.0321 -1.7680 -0.5813
+ 2112TIP3   OH2 7783   3.689   0.638   2.145 -0.2285  0.2821 -0.1118
+ 2112TIP3    H1 7784   3.659   0.719   2.187  3.2973  1.4308  0.2966
+ 2112TIP3    H2 7785   3.675   0.653   2.052 -1.0248  0.7310  0.0736
+ 2113TIP3   OH2 7786   3.815   5.500   6.461  0.4522 -0.0287 -0.4469
+ 2113TIP3    H1 7787   3.738   5.557   6.465  1.1710  1.0838 -1.8609
+ 2113TIP3    H2 7788   3.888   5.557   6.484  0.7112 -1.4829  2.5834
+ 2114TIP3   OH2 7789   2.901   5.847   0.508 -0.0614 -0.4555 -0.2600
+ 2114TIP3    H1 7790   2.865   5.873   0.593  0.2356  0.0079 -0.2736
+ 2114TIP3    H2 7791   2.978   5.795   0.530 -0.0861 -0.4870 -0.2471
+ 2115TIP3   OH2 7792   3.084   1.158   0.653  0.9165  0.4494  1.0104
+ 2115TIP3    H1 7793   3.062   1.193   0.567 -1.5958 -1.5171  0.8089
+ 2115TIP3    H2 7794   3.172   1.123   0.642  0.7645  0.5376 -0.6625
+ 2116TIP3   OH2 7795   2.808   2.805   0.147 -0.0250 -0.2379 -0.5632
+ 2116TIP3    H1 7796   2.886   2.848   0.181 -0.3538  0.6583 -0.9376
+ 2116TIP3    H2 7797   2.736   2.838   0.201 -0.4946  0.8900 -1.8501
+ 2117TIP3   OH2 7798   1.122   3.858   2.844  0.2066  0.1045 -0.1591
+ 2117TIP3    H1 7799   1.203   3.810   2.864  1.3673  1.6375 -1.0395
+ 2117TIP3    H2 7800   1.133   3.884   2.752 -1.1498  0.6117 -0.1784
+ 2118TIP3   OH2 7801   3.467   3.378   0.595 -0.9305 -0.2811 -0.3933
+ 2118TIP3    H1 7802   3.497   3.467   0.578 -0.2181  0.0587  2.3799
+ 2118TIP3    H2 7803   3.397   3.389   0.659 -0.2889 -1.7783  0.5654
+ 2119TIP3   OH2 7804   1.427   5.888   2.952 -0.2830  0.1223 -0.0010
+ 2119TIP3    H1 7805   1.450   5.796   2.959 -0.5269  0.1926  1.8969
+ 2119TIP3    H2 7806   1.359   5.901   3.018 -1.4148  1.3071 -1.3530
+ 2120TIP3   OH2 7807   2.154   2.848   1.468 -0.0766 -0.4933  0.5071
+ 2120TIP3    H1 7808   2.161   2.941   1.489 -1.5120 -0.1990 -0.2199
+ 2120TIP3    H2 7809   2.175   2.843   1.375 -0.6498 -0.7898  0.3892
+ 2121TIP3   OH2 7810   4.449   2.865   1.486  0.2373 -0.1420 -0.3955
+ 2121TIP3    H1 7811   4.373   2.813   1.512 -0.5178  0.6404 -1.0051
+ 2121TIP3    H2 7812   4.468   2.838   1.396  1.0284 -0.7375 -0.0528
+ 2122TIP3   OH2 7813   2.406   5.962   1.668  0.6437 -0.0383  0.6831
+ 2122TIP3    H1 7814   2.416   5.879   1.621  1.0293  1.1714 -1.4278
+ 2122TIP3    H2 7815   2.492   5.978   1.706  0.5147 -0.7078  1.2622
+ 2123TIP3   OH2 7816   2.544   5.364   2.817 -0.0269  0.1098 -0.3445
+ 2123TIP3    H1 7817   2.539   5.357   2.912  0.6038  1.9425 -0.1671
+ 2123TIP3    H2 7818   2.623   5.315   2.794 -0.5887 -0.9718 -0.0079
+ 2124TIP3   OH2 7819   2.239   1.053   6.665 -0.3942 -0.0529  0.0709
+ 2124TIP3    H1 7820   2.152   1.026   6.695 -0.9520  0.7536 -0.7807
+ 2124TIP3    H2 7821   2.294   1.045   6.743 -1.2669 -0.4013  0.6702
+ 2125TIP3   OH2 7822   1.652   0.917   2.253  0.0900 -0.1515 -0.4321
+ 2125TIP3    H1 7823   1.624   0.926   2.344 -0.4873 -1.6299 -0.4511
+ 2125TIP3    H2 7824   1.663   0.823   2.240 -0.5421 -0.0220 -2.1042
+ 2126TIP3   OH2 7825   2.537   6.594   6.845 -0.1676 -0.2070 -0.3251
+ 2126TIP3    H1 7826   2.571   6.681   6.868  1.0021 -0.1642 -2.1066
+ 2126TIP3    H2 7827   2.454   6.588   6.893  0.4427  1.2924  0.9878
+ 2127TIP3   OH2 7828   1.871   5.173   0.825  0.1362 -0.0658  0.2171
+ 2127TIP3    H1 7829   1.938   5.131   0.880  1.2541  1.4517  0.0320
+ 2127TIP3    H2 7830   1.854   5.257   0.868  0.0605  0.5667 -1.0332
+ 2128TIP3   OH2 7831   4.848   6.181   0.802 -0.2471 -0.4407 -0.2371
+ 2128TIP3    H1 7832   4.802   6.203   0.721 -1.4578 -0.0254  0.5370
+ 2128TIP3    H2 7833   4.886   6.095   0.786  0.8355  0.2973 -1.7765
+ 2129TIP3   OH2 7834   3.127   6.354   1.091  0.3163  0.2015  0.1620
+ 2129TIP3    H1 7835   3.042   6.318   1.066  0.3176  0.2587  0.0754
+ 2129TIP3    H2 7836   3.191   6.302   1.042  0.3497 -0.0538  0.4728
+ 2130TIP3   OH2 7837   2.772   4.161   2.352 -0.2807  0.2106 -0.4881
+ 2130TIP3    H1 7838   2.817   4.163   2.268 -0.1927  1.2308 -0.4305
+ 2130TIP3    H2 7839   2.724   4.078   2.353 -0.1991  0.1551 -1.5001
+ 2131TIP3   OH2 7840   3.245   3.296   2.270  0.7932 -0.1814 -0.4486
+ 2131TIP3    H1 7841   3.234   3.277   2.363  1.0125 -1.1048 -0.6044
+ 2131TIP3    H2 7842   3.244   3.210   2.228  0.4476  0.2458 -1.3270
+ 2132TIP3   OH2 7843   1.741   1.929   0.192  0.1482  0.1535 -0.1335
+ 2132TIP3    H1 7844   1.809   1.960   0.253  0.4967 -2.6880  1.0317
+ 2132TIP3    H2 7845   1.786   1.863   0.139 -1.4680 -1.0672 -0.0033
+ 2133TIP3   OH2 7846   6.758   5.653   6.578  0.1110 -0.6510  0.0571
+ 2133TIP3    H1 7847   6.813   5.728   6.599 -0.3144 -0.3646  0.1391
+ 2133TIP3    H2 7848   6.795   5.618   6.496 -0.2335  0.1700 -0.4517
+ 2134TIP3   OH2 7849   1.685   4.604   2.416  0.4119 -0.4624 -0.0088
+ 2134TIP3    H1 7850   1.608   4.553   2.440  0.7958 -1.0960 -0.1165
+ 2134TIP3    H2 7851   1.759   4.545   2.432  0.9200  0.3564  0.6980
+ 2135TIP3   OH2 7852   1.554   4.102   1.058 -0.4887  0.1116  0.0967
+ 2135TIP3    H1 7853   1.558   4.188   1.016  1.8905  0.0440  0.0915
+ 2135TIP3    H2 7854   1.604   4.045   1.000 -0.1025 -0.7499  1.2671
+ 2136TIP3   OH2 7855   0.984   3.693   0.177 -0.1441  0.1021  0.1441
+ 2136TIP3    H1 7856   0.929   3.623   0.211 -0.8748 -0.4108 -2.0376
+ 2136TIP3    H2 7857   0.934   3.773   0.195 -1.0413 -0.2592 -0.7044
+ 2137TIP3   OH2 7858   4.413   4.787   5.028  0.1385  0.0438  0.6495
+ 2137TIP3    H1 7859   4.325   4.751   5.017  0.4088 -0.5565  0.4081
+ 2137TIP3    H2 7860   4.425   4.845   4.953  0.6987 -1.4266 -0.4274
+ 2138TIP3   OH2 7861   1.334   5.405   0.694 -0.4712 -0.0461 -0.1212
+ 2138TIP3    H1 7862   1.325   5.346   0.769  0.3711  0.3920  0.3316
+ 2138TIP3    H2 7863   1.244   5.417   0.663 -0.8506 -0.0985  0.9158
+ 2139TIP3   OH2 7864   1.305   4.508   1.367 -0.3326  0.0578  0.4436
+ 2139TIP3    H1 7865   1.310   4.496   1.462 -0.5390  0.8414  0.5522
+ 2139TIP3    H2 7866   1.395   4.498   1.337  0.0758  1.9611  0.9750
+ 2140TIP3   OH2 7867   2.836   4.950   6.131 -0.3110 -0.1629 -0.3091
+ 2140TIP3    H1 7868   2.797   4.864   6.146  0.3268 -0.2419  0.9289
+ 2140TIP3    H2 7869   2.922   4.946   6.173 -0.8278  1.5308  0.9854
+ 2141TIP3   OH2 7870   4.452   0.447   1.997  0.2431 -0.4939  0.0703
+ 2141TIP3    H1 7871   4.393   0.383   1.958  0.5127 -0.9184  0.3474
+ 2141TIP3    H2 7872   4.406   0.478   2.075 -0.9176  1.4093 -1.3342
+ 2142TIP3   OH2 7873   4.464   0.635   1.653  0.5521 -0.6809  0.4954
+ 2142TIP3    H1 7874   4.513   0.687   1.589 -0.2819  0.6098  0.8797
+ 2142TIP3    H2 7875   4.492   0.669   1.738 -0.7810 -0.1297  0.7239
+ 2143TIP3   OH2 7876   3.217   2.543   1.098  0.4435  0.2074  0.0588
+ 2143TIP3    H1 7877   3.232   2.457   1.061 -1.0776  0.2468 -0.6707
+ 2143TIP3    H2 7878   3.304   2.583   1.104  0.9575 -0.7440 -1.1204
+ 2144TIP3   OH2 7879   1.883   4.640   1.267  0.2001  0.1374  0.4142
+ 2144TIP3    H1 7880   1.934   4.560   1.267  0.9768  0.6273 -1.2661
+ 2144TIP3    H2 7881   1.849   4.648   1.178 -1.9918  0.3390  1.2293
+ 2145TIP3   OH2 7882   2.291   6.285   1.867  0.0012 -0.4434 -0.0881
+ 2145TIP3    H1 7883   2.261   6.375   1.859 -2.1825 -1.1410 -0.1138
+ 2145TIP3    H2 7884   2.218   6.233   1.832  0.1407 -2.3443  2.3854
+ 2146TIP3   OH2 7885   2.906   4.410   1.959 -0.0512 -0.2237 -0.2591
+ 2146TIP3    H1 7886   2.851   4.444   1.888 -1.5348 -0.6964  0.6345
+ 2146TIP3    H2 7887   2.996   4.430   1.931 -0.6507  0.4198 -1.8276
+ 2147TIP3   OH2 7888   2.818   0.895   2.267  0.1269  0.1136  0.1403
+ 2147TIP3    H1 7889   2.744   0.902   2.207  1.0348  1.7764 -0.8084
+ 2147TIP3    H2 7890   2.793   0.947   2.343 -0.4219 -0.8142  0.6038
+ 2148TIP3   OH2 7891   3.913   2.849   0.276 -0.2829 -0.2891 -0.3712
+ 2148TIP3    H1 7892   3.879   2.887   0.357  1.2705  2.6012 -0.9928
+ 2148TIP3    H2 7893   3.944   2.762   0.301 -0.9484  0.0915  1.8726
+ 2149TIP3   OH2 7894   6.056   4.517   0.694 -0.7997 -0.4633  0.2972
+ 2149TIP3    H1 7895   5.963   4.537   0.701 -0.7380  0.1489 -0.5280
+ 2149TIP3    H2 7896   6.096   4.599   0.665  0.2134 -0.2946  2.1089
+ 2150TIP3   OH2 7897   3.588   6.219   0.750  0.1526  0.2463  0.2111
+ 2150TIP3    H1 7898   3.587   6.130   0.712  2.5103 -0.0595  0.7879
+ 2150TIP3    H2 7899   3.668   6.221   0.802 -1.7224  1.5378  3.1243
+ 2151TIP3   OH2 7900   5.184   2.840   1.784 -0.3775 -0.5159 -0.2699
+ 2151TIP3    H1 7901   5.106   2.845   1.728 -2.1427 -0.1101  2.1788
+ 2151TIP3    H2 7902   5.183   2.750   1.818 -0.9492  0.1210  1.4135
+ 2152TIP3   OH2 7903   5.197   4.322   2.498  1.0685  0.2892  0.0212
+ 2152TIP3    H1 7904   5.193   4.243   2.552 -1.7349 -0.0652 -0.6167
+ 2152TIP3    H2 7905   5.208   4.290   2.409  0.5797  0.6225 -0.1634
+ 2153TIP3   OH2 7906   3.268   0.260   1.364 -0.1317 -0.1382  0.1569
+ 2153TIP3    H1 7907   3.294   0.168   1.372  1.0616  0.2476  0.7529
+ 2153TIP3    H2 7908   3.310   0.291   1.284  0.1659  0.1150  0.4080
+ 2154TIP3   OH2 7909   4.845   3.711   5.645 -0.5262  0.2630  0.2180
+ 2154TIP3    H1 7910   4.917   3.714   5.582 -0.6649  1.5360  0.1064
+ 2154TIP3    H2 7911   4.887   3.716   5.731 -0.3856 -0.6754  0.2071
+ 2155TIP3   OH2 7912   3.804   5.311   2.444 -0.3854 -0.2448 -0.0599
+ 2155TIP3    H1 7913   3.822   5.348   2.530  0.1545 -0.7707  0.0548
+ 2155TIP3    H2 7914   3.753   5.379   2.399  0.1254  0.4096  0.3402
+ 2156TIP3   OH2 7915   5.307   3.423   6.884  0.6550  1.0060 -0.0020
+ 2156TIP3    H1 7916   5.279   3.355   6.946 -0.0361  0.9786 -0.3457
+ 2156TIP3    H2 7917   5.373   3.379   6.829 -0.5976  0.2806 -0.9512
+ 2157TIP3   OH2 7918   4.976   2.911   0.952 -0.0486 -0.5140  0.1480
+ 2157TIP3    H1 7919   5.063   2.950   0.955 -0.5796  0.6683  0.9327
+ 2157TIP3    H2 7920   4.975   2.858   0.872  1.5715 -1.0040  0.4531
+ 2158TIP3   OH2 7921   3.886   1.408   1.145  0.1258  0.0605  0.3084
+ 2158TIP3    H1 7922   3.836   1.446   1.217 -0.9492 -0.7620 -0.0032
+ 2158TIP3    H2 7923   3.953   1.355   1.189 -0.8625 -0.8780  0.7090
+ 2159TIP3   OH2 7924   2.379   3.917   1.399 -0.2721  0.5426 -0.6258
+ 2159TIP3    H1 7925   2.407   3.977   1.330  0.0577  0.0732 -0.9039
+ 2159TIP3    H2 7926   2.437   3.840   1.389 -1.6353 -0.4257 -1.1904
+ 2160TIP3   OH2 7927   5.007   1.542   1.666  0.3555  0.1266 -0.3635
+ 2160TIP3    H1 7928   5.070   1.473   1.686  0.6472 -0.2093 -2.3384
+ 2160TIP3    H2 7929   4.934   1.527   1.726  0.4549 -1.8318 -0.7181
+ 2161TIP3   OH2 7930   4.445   5.479   1.848  0.0575  0.1951 -0.0305
+ 2161TIP3    H1 7931   4.366   5.527   1.876 -0.4109 -0.1324 -0.7909
+ 2161TIP3    H2 7932   4.517   5.531   1.883 -0.4971  0.4424  0.7728
+ 2162TIP3   OH2 7933   5.995   3.336   6.746 -0.2380 -0.9918  0.0952
+ 2162TIP3    H1 7934   5.951   3.309   6.665  0.1998  0.7303 -0.7278
+ 2162TIP3    H2 7935   5.927   3.384   6.794 -0.3346 -1.5399  0.5156
+ 2163TIP3   OH2 7936   6.483   2.978   3.086 -0.2193 -0.3765  0.2024
+ 2163TIP3    H1 7937   6.431   3.057   3.103  0.0474 -0.3693  1.0011
+ 2163TIP3    H2 7938   6.532   2.963   3.167  1.0802 -0.3476 -0.5641
+ 2164TIP3   OH2 7939   5.506   4.467   2.044 -0.1000 -0.4923  0.8710
+ 2164TIP3    H1 7940   5.433   4.482   2.104 -1.5783 -0.2423 -0.9824
+ 2164TIP3    H2 7941   5.480   4.392   1.992  0.4868  0.2820 -0.5572
+ 2165TIP3   OH2 7942   2.536   3.916   0.952 -0.2828  0.3999 -0.4233
+ 2165TIP3    H1 7943   2.457   3.966   0.928  0.3371 -0.0150 -3.5294
+ 2165TIP3    H2 7944   2.502   3.839   0.998 -1.5237  1.5039  0.5397
+ 2166TIP3   OH2 7945   0.352   3.203   6.853 -0.1860 -0.2914 -0.0082
+ 2166TIP3    H1 7946   0.386   3.160   6.932 -0.9262 -1.1630 -0.1601
+ 2166TIP3    H2 7947   0.258   3.207   6.867 -0.0907  1.8309  0.2705
+ 2167TIP3   OH2 7948   5.609   4.270   0.918  0.6095 -0.0072  0.6246
+ 2167TIP3    H1 7949   5.697   4.297   0.944  0.7893 -1.1380  1.2245
+ 2167TIP3    H2 7950   5.607   4.282   0.823  0.3082  3.1437  0.9986
+ 2168TIP3   OH2 7951   5.175   4.718   2.057  0.1262 -0.2370 -0.4108
+ 2168TIP3    H1 7952   5.250   4.697   2.002  0.7710 -1.4095  0.9121
+ 2168TIP3    H2 7953   5.103   4.666   2.021  0.2216  0.0044 -0.9531
+ 2169TIP3   OH2 7954   5.662   5.918   3.185  0.0500 -0.2397 -0.5635
+ 2169TIP3    H1 7955   5.730   5.922   3.253  0.5635  0.5873 -1.1068
+ 2169TIP3    H2 7956   5.704   5.873   3.112  0.0695  0.3899 -0.9484
+ 2170TIP3   OH2 7957   4.578   6.625   2.448 -0.4675 -0.0415 -0.3170
+ 2170TIP3    H1 7958   4.490   6.591   2.464 -0.0877 -1.2499 -0.7261
+ 2170TIP3    H2 7959   4.565   6.696   2.385 -1.1377 -0.3257 -0.5066
+ 2171TIP3   OH2 7960   5.291   2.038   6.181  0.2581 -0.3765 -0.3465
+ 2171TIP3    H1 7961   5.371   1.986   6.187  0.3127 -0.1571  0.9105
+ 2171TIP3    H2 7962   5.247   2.025   6.266 -1.2930 -0.9018 -1.1921
+ 2172TIP3   OH2 7963   5.115   4.814   2.621 -0.0248 -0.1087 -0.2535
+ 2172TIP3    H1 7964   5.152   4.888   2.573 -0.5358  0.2536 -0.0960
+ 2172TIP3    H2 7965   5.089   4.752   2.553 -1.2868  0.6570 -0.4892
+ 2173TIP3   OH2 7966   6.084   3.788   0.630  0.0430 -0.8362 -0.1568
+ 2173TIP3    H1 7967   6.143   3.766   0.702  1.3040 -0.6467 -1.1011
+ 2173TIP3    H2 7968   6.111   3.876   0.604  2.2304 -2.3705 -3.3865
+ 2174TIP3   OH2 7969   6.662   3.842   6.174  0.4275  0.7871  0.0042
+ 2174TIP3    H1 7970   6.652   3.790   6.094  0.7007  1.6473 -0.5925
+ 2174TIP3    H2 7971   6.731   3.798   6.224  0.5339  0.4794 -0.4176
+ 2175TIP3   OH2 7972   5.653   4.109   1.160 -0.1074 -0.1459  0.4857
+ 2175TIP3    H1 7973   5.744   4.108   1.131 -0.2595  0.6141 -0.0259
+ 2175TIP3    H2 7974   5.603   4.135   1.083 -0.8706 -1.6162  0.4622
+ 2176TIP3   OH2 7975   5.122   3.794   1.373 -0.5779 -0.7526  0.5687
+ 2176TIP3    H1 7976   5.203   3.772   1.327 -0.9493  0.6206 -0.7692
+ 2176TIP3    H2 7977   5.056   3.736   1.335 -0.7398 -0.0972 -0.1719
+ 2177TIP3   OH2 7978   5.572   4.248   6.802 -0.4730  0.1168 -0.5246
+ 2177TIP3    H1 7979   5.647   4.269   6.747  0.1565 -2.1885 -0.6120
+ 2177TIP3    H2 7980   5.583   4.302   6.880  3.0291 -2.4670  0.8862
+ 2178TIP3   OH2 7981   2.810   4.862   6.634  0.4756 -0.0096 -0.1837
+ 2178TIP3    H1 7982   2.784   4.798   6.700  1.5297 -0.6448 -0.3659
+ 2178TIP3    H2 7983   2.737   4.865   6.573  0.2234 -0.6915  0.0818
+ 2179TIP3   OH2 7984   5.121   5.903   2.289  0.0062  0.3195 -0.5995
+ 2179TIP3    H1 7985   5.027   5.913   2.280 -0.2522 -0.9754  0.6053
+ 2179TIP3    H2 7986   5.133   5.834   2.354  1.7816  2.8472  1.9061
+ 2180TIP3   OH2 7987   1.580   4.011   6.817 -0.0518 -0.1114 -0.3872
+ 2180TIP3    H1 7988   1.580   4.059   6.734  0.5307  1.0855  0.2908
+ 2180TIP3    H2 7989   1.489   4.017   6.848  0.2387  1.4890  0.2085
+ 2181TIP3   OH2 7990   6.436   6.547   2.131 -0.2885 -0.2116 -0.0319
+ 2181TIP3    H1 7991   6.395   6.461   2.140  1.5508 -1.2151 -0.9857
+ 2181TIP3    H2 7992   6.524   6.536   2.166  0.4019  0.9226 -1.3543
+ 2182TIP3   OH2 7993   5.734   3.581   1.422  0.5958 -0.0397 -0.1768
+ 2182TIP3    H1 7994   5.676   3.510   1.451  1.2991 -1.5573 -2.3355
+ 2182TIP3    H2 7995   5.818   3.562   1.464  0.2842  0.6086  0.7574
+ 2183TIP3   OH2 7996   0.085   3.244   6.866  0.5707  0.1764  0.0428
+ 2183TIP3    H1 7997   0.048   3.292   6.940 -3.2935 -2.2408 -0.1865
+ 2183TIP3    H2 7998   0.062   3.296   6.789 -0.5167 -0.1952  0.1020
+ 2184TIP3   OH2 7999   4.899   5.430   2.406  0.5021 -0.7850  0.0676
+ 2184TIP3    H1 8000   4.940   5.470   2.483  0.5885  0.1163 -0.4297
+ 2184TIP3    H2 8001   4.807   5.455   2.413  0.1607 -2.1920  0.7998
+ 2185TIP3   OH2 8002   6.460   4.647   1.410  0.6202  0.3439 -0.2105
+ 2185TIP3    H1 8003   6.511   4.689   1.480  0.4420 -1.3005  0.9322
+ 2185TIP3    H2 8004   6.426   4.568   1.450 -1.6422  0.6764 -1.4176
+ 2186TIP3   OH2 8005   5.897   5.270   1.279 -0.4295  0.0129 -0.0347
+ 2186TIP3    H1 8006   5.925   5.194   1.228  1.6226  1.3490 -0.9607
+ 2186TIP3    H2 8007   5.922   5.248   1.369  2.2007  0.4624 -0.6096
+ 2187TIP3   OH2 8008   5.664   4.319   0.624 -0.0928  0.1127  0.0269
+ 2187TIP3    H1 8009   5.623   4.260   0.561  1.2929  0.3498 -1.1364
+ 2187TIP3    H2 8010   5.661   4.405   0.581  0.9724  0.2549  0.2125
+ 2188TIP3   OH2 8011   4.165   5.224   1.294  0.1026  0.2154 -0.4599
+ 2188TIP3    H1 8012   4.174   5.261   1.382  1.1037 -0.8990 -0.0801
+ 2188TIP3    H2 8013   4.232   5.156   1.290 -1.5975 -1.4440 -1.1934
+ 2189TIP3   OH2 8014   0.431   4.001   3.273 -0.1846  0.0095  0.2460
+ 2189TIP3    H1 8015   0.402   3.941   3.204 -1.3091 -0.1496  0.8444
+ 2189TIP3    H2 8016   0.507   3.958   3.312 -0.2690 -0.4722 -0.1191
+ 2190TIP3   OH2 8017   4.999   3.905   2.313  0.4639 -0.1902 -0.4375
+ 2190TIP3    H1 8018   4.945   3.959   2.371  0.0621 -0.2179 -0.7848
+ 2190TIP3    H2 8019   4.963   3.920   2.226  0.6917 -0.6061 -0.6042
+ 2191TIP3   OH2 8020   5.425   2.309   5.822 -0.1683  0.5516  0.2553
+ 2191TIP3    H1 8021   5.388   2.307   5.734  2.4061 -0.7335 -0.8301
+ 2191TIP3    H2 8022   5.349   2.302   5.880 -1.9119  1.6707 -1.8388
+ 2192TIP3   OH2 8023   4.868   6.236   0.548 -0.0761  0.1935  0.0804
+ 2192TIP3    H1 8024   4.874   6.327   0.519  1.0558 -0.3547 -1.4587
+ 2192TIP3    H2 8025   4.959   6.206   0.550 -0.4644 -0.9715  0.3988
+ 2193TIP3   OH2 8026   2.234   4.426   1.965  0.2390  0.9816  0.1774
+ 2193TIP3    H1 8027   2.318   4.380   1.964 -0.4535 -0.3390  0.1599
+ 2193TIP3    H2 8028   2.222   4.457   1.876  0.1116  0.0376 -0.1360
+ 2194TIP3   OH2 8029   5.632   4.450   2.516 -0.4694  0.3061 -0.2025
+ 2194TIP3    H1 8030   5.637   4.462   2.611  0.3871  0.4515 -0.2696
+ 2194TIP3    H2 8031   5.586   4.528   2.485  1.7107  1.6285 -0.2050
+ 2195TIP3   OH2 8032   4.583   6.523   1.936  0.1157 -0.0209  0.0312
+ 2195TIP3    H1 8033   4.641   6.599   1.928  0.5384 -0.3484 -0.0977
+ 2195TIP3    H2 8034   4.495   6.558   1.930  0.3056  0.4888  0.2299
+ 2196TIP3   OH2 8035   4.597   6.299   0.742 -0.4382  0.5785 -0.0489
+ 2196TIP3    H1 8036   4.632   6.388   0.748  1.6567 -0.2954  1.3411
+ 2196TIP3    H2 8037   4.512   6.310   0.700 -1.2320  3.4989  2.0846
+ 2197TIP3   OH2 8038   5.187   6.128   2.067  0.2574 -0.5447  0.0541
+ 2197TIP3    H1 8039   5.203   6.078   1.986  0.2877 -1.4944  0.6395
+ 2197TIP3    H2 8040   5.255   6.098   2.127  0.1120  0.0178  0.4951
+ 2198TIP3   OH2 8041   1.602   5.314   0.707  0.0659 -0.4700  0.3873
+ 2198TIP3    H1 8042   1.508   5.332   0.701  0.0580 -0.1056  1.6075
+ 2198TIP3    H2 8043   1.640   5.365   0.635 -0.5966 -0.1448  0.2650
+ 2199TIP3   OH2 8044   2.808   5.680   6.824 -0.3734 -0.1304 -0.2493
+ 2199TIP3    H1 8045   2.790   5.762   6.779 -1.1643 -0.6748 -0.9317
+ 2199TIP3    H2 8046   2.723   5.651   6.856 -0.1498 -0.8759 -0.3275
+ 2200TIP3   OH2 8047   4.757   4.767   6.887  0.4186  0.2837  0.0820
+ 2200TIP3    H1 8048   4.777   4.689   6.835 -0.1632  1.1605 -1.4787
+ 2200TIP3    H2 8049   4.662   4.773   6.884  0.4766  1.1555  0.0365
+ 2201TIP3   OH2 8050   0.459   6.331   5.251  0.0466  0.2261  0.7453
+ 2201TIP3    H1 8051   0.510   6.253   5.274 -1.5235 -0.4004  2.1832
+ 2201TIP3    H2 8052   0.410   6.305   5.173  1.3551  0.6078 -0.2369
+ 2202TIP3   OH2 8053   6.387   4.972   2.160 -0.3825 -0.0076 -0.1241
+ 2202TIP3    H1 8054   6.295   4.985   2.136 -0.9885  0.4599  2.3024
+ 2202TIP3    H2 8055   6.384   4.951   2.253  1.9667 -0.2378 -0.0827
+ 2203TIP3   OH2 8056   2.963   5.517   0.108  0.6327 -0.6705 -0.2248
+ 2203TIP3    H1 8057   2.917   5.570   0.042  0.1121 -2.2255 -1.1404
+ 2203TIP3    H2 8058   3.020   5.459   0.056  1.0205 -1.1665  0.7508
+ 2204TIP3   OH2 8059   3.639   1.982   1.289  0.0342 -0.0687 -0.0062
+ 2204TIP3    H1 8060   3.587   2.053   1.328  0.1488  0.1858 -0.3118
+ 2204TIP3    H2 8061   3.573   1.919   1.259 -0.2350  1.1606 -2.1715
+ 2205TIP3   OH2 8062   5.011   2.122   1.356 -0.2139  0.0654 -0.0530
+ 2205TIP3    H1 8063   4.945   2.172   1.404  0.9432 -0.5407  2.1860
+ 2205TIP3    H2 8064   5.092   2.171   1.368  0.6375 -1.5549  0.9626
+ 2206TIP3   OH2 8065   5.078   3.652   2.380 -0.0107 -0.2377 -0.0994
+ 2206TIP3    H1 8066   5.139   3.628   2.310 -1.7435 -0.2324 -1.6387
+ 2206TIP3    H2 8067   5.043   3.737   2.354 -0.7095 -0.2539  0.7599
+ 2207TIP3   OH2 8068   4.918   4.858   4.783  0.0258  0.1546  0.4765
+ 2207TIP3    H1 8069   4.953   4.776   4.818 -2.0262 -0.4391  1.2127
+ 2207TIP3    H2 8070   4.841   4.877   4.838  0.8424  2.9232  0.7531
+ 2208TIP3   OH2 8071   4.268   2.461   0.554  0.1972  0.2474  0.2491
+ 2208TIP3    H1 8072   4.310   2.376   0.566 -0.3835  0.0625  1.0298
+ 2208TIP3    H2 8073   4.227   2.456   0.468  0.8799  0.0489 -0.0690
+ 2209TIP3   OH2 8074   5.374   1.503   1.686 -0.0950 -0.0081 -0.0441
+ 2209TIP3    H1 8075   5.305   1.520   1.751 -1.3414 -1.7509 -0.8819
+ 2209TIP3    H2 8076   5.454   1.495   1.738 -0.8155  0.2154  1.1272
+ 2210TIP3   OH2 8077   2.498   5.883   6.475 -0.4536 -0.0582  0.8233
+ 2210TIP3    H1 8078   2.586   5.856   6.447  0.3176  1.2123  1.9567
+ 2210TIP3    H2 8079   2.508   5.976   6.499 -2.3371  0.3811 -0.0287
+ 2211TIP3   OH2 8080   6.360   4.358   3.169 -0.0654  0.2114  0.0910
+ 2211TIP3    H1 8081   6.455   4.366   3.178 -0.1139  1.2684 -0.2603
+ 2211TIP3    H2 8082   6.346   4.342   3.076 -0.2748  0.9267 -0.0078
+ 2212TIP3   OH2 8083   4.255   5.471   3.036 -0.0135  0.2560  0.3601
+ 2212TIP3    H1 8084   4.189   5.476   3.105 -1.3022 -1.7266 -0.6976
+ 2212TIP3    H2 8085   4.209   5.498   2.957  0.9276  0.5759 -0.0797
+ 2213TIP3   OH2 8086   6.817   4.268   1.871 -0.1519 -0.0153 -0.7336
+ 2213TIP3    H1 8087   6.834   4.351   1.915  1.7767 -1.2201  0.8812
+ 2213TIP3    H2 8088   6.744   4.286   1.813 -0.7899  2.4085  0.7569
+ 2214TIP3   OH2 8089   5.108   5.219   0.445  0.3875 -0.1244  0.1856
+ 2214TIP3    H1 8090   5.179   5.159   0.424 -1.0040 -2.1318  1.0791
+ 2214TIP3    H2 8091   5.035   5.163   0.469 -0.9334  1.9352  1.1626
+ 2215TIP3   OH2 8092   3.358   3.739   6.469  0.3556 -0.3213 -0.0885
+ 2215TIP3    H1 8093   3.342   3.691   6.388  0.0876 -0.3600 -0.0141
+ 2215TIP3    H2 8094   3.271   3.769   6.497  0.2082 -1.8818  1.1816
+ 2216TIP3   OH2 8095   5.982   4.407   6.897 -0.0616 -0.1275 -0.2498
+ 2216TIP3    H1 8096   6.010   4.479   6.953  1.2000 -0.7309 -0.0770
+ 2216TIP3    H2 8097   5.944   4.449   6.820  3.1020  0.8146 -1.3896
+ 2217TIP3   OH2 8098   3.415   4.998   6.618 -0.0476 -0.2596 -0.1964
+ 2217TIP3    H1 8099   3.423   4.991   6.713  0.2566 -1.0909 -0.2814
+ 2217TIP3    H2 8100   3.432   5.091   6.599  1.0561 -0.3323  0.4329
+ 2218TIP3   OH2 8101   3.711   4.398   1.328  0.4425 -0.9483  0.4627
+ 2218TIP3    H1 8102   3.790   4.404   1.381  0.9095 -0.9097 -0.2264
+ 2218TIP3    H2 8103   3.697   4.488   1.297  0.9365 -1.2261 -0.5695
+ 2219TIP3   OH2 8104   5.302   3.849   1.636  0.1594 -0.4931 -0.0103
+ 2219TIP3    H1 8105   5.357   3.803   1.572 -1.7523 -3.7939  0.5807
+ 2219TIP3    H2 8106   5.265   3.922   1.587  0.3663 -1.7382 -2.1206
+ 2220TIP3   OH2 8107   4.962   5.492   1.217 -0.3091 -0.0867  0.7938
+ 2220TIP3    H1 8108   4.908   5.412   1.219  0.7658 -0.8041  1.5001
+ 2220TIP3    H2 8109   4.982   5.504   1.124 -0.7350 -0.4587  0.6494
+ 2221TIP3   OH2 8110   4.864   5.859   2.260 -0.4241  0.2306  0.0400
+ 2221TIP3    H1 8111   4.798   5.830   2.322 -0.6491  2.4871  0.9054
+ 2221TIP3    H2 8112   4.815   5.898   2.188 -0.0711  0.1980 -0.2259
+ 2222TIP3   OH2 8113   4.098   2.161   0.889 -0.3886  0.8123  0.0717
+ 2222TIP3    H1 8114   4.012   2.119   0.889 -1.0835  2.1844  0.1490
+ 2222TIP3    H2 8115   4.097   2.217   0.811  0.8568  0.0163 -0.5285
+ 2223TIP3   OH2 8116   4.554   6.225   6.218  0.1227  0.0159  0.4202
+ 2223TIP3    H1 8117   4.640   6.257   6.192  0.1745  0.9614  1.7108
+ 2223TIP3    H2 8118   4.492   6.289   6.183  0.1710  1.1100  2.2909
+ 2224TIP3   OH2 8119   4.897   1.005   2.207  0.3229  0.4561 -0.1787
+ 2224TIP3    H1 8120   4.862   0.927   2.163  1.8913 -0.3975  0.0393
+ 2224TIP3    H2 8121   4.992   0.996   2.199  0.5648  1.3924  1.5133
+ 2225TIP3   OH2 8122   3.893   3.608   1.689  0.1225  0.1836 -0.1111
+ 2225TIP3    H1 8123   3.834   3.620   1.763 -0.4188 -1.9406 -0.1639
+ 2225TIP3    H2 8124   3.957   3.544   1.720  1.2199  0.9552 -0.7399
+ 2226TIP3   OH2 8125   6.811   4.682   0.383  0.1004 -0.5526 -0.7186
+ 2226TIP3    H1 8126   6.723   4.701   0.350 -0.2104  1.7820  1.3464
+ 2226TIP3    H2 8127   6.818   4.586   0.378 -2.4485 -0.7562 -1.1538
+ 2227TIP3   OH2 8128   4.525   3.031   1.206 -0.1174 -0.2016 -0.2910
+ 2227TIP3    H1 8129   4.611   3.025   1.165  2.0810  0.2296  3.9928
+ 2227TIP3    H2 8130   4.482   2.948   1.184  1.4856 -0.5736 -2.1638
+ 2228TIP3   OH2 8131   5.216   5.078   2.538 -0.3998  0.0617  0.3967
+ 2228TIP3    H1 8132   5.166   5.089   2.619  2.5620  2.6340  1.9585
+ 2228TIP3    H2 8133   5.247   5.165   2.517  3.3224 -1.3916 -0.5718
+ 2229TIP3   OH2 8134   5.596   5.011   1.665  0.3748 -0.1719  0.0398
+ 2229TIP3    H1 8135   5.582   4.952   1.739  1.8911  0.3643  0.7831
+ 2229TIP3    H2 8136   5.646   4.958   1.602 -0.7756 -0.5774 -0.5500
+ 2230TIP3   OH2 8137   0.344   3.475   0.487  0.4624 -0.5206 -0.4631
+ 2230TIP3    H1 8138   0.314   3.498   0.399 -0.6023  0.6901  0.2033
+ 2230TIP3    H2 8139   0.403   3.546   0.512 -2.3800  1.3236  1.3692
+ 2231TIP3   OH2 8140   5.325   2.494   0.776 -0.1740 -0.5317 -0.4616
+ 2231TIP3    H1 8141   5.407   2.501   0.728 -0.0945 -0.7949 -0.3636
+ 2231TIP3    H2 8142   5.277   2.573   0.753  0.0194 -0.4791 -0.6828
+ 2232TIP3   OH2 8143   5.806   6.144   0.772 -0.1018  0.4102  0.5799
+ 2232TIP3    H1 8144   5.824   6.097   0.853 -0.9734 -0.4680  0.2773
+ 2232TIP3    H2 8145   5.758   6.081   0.718 -0.6572  1.4076 -0.1093
+ 2233TIP3   OH2 8146   5.348   2.039   0.184  0.7452  0.0848  0.1297
+ 2233TIP3    H1 8147   5.433   2.064   0.219  1.4416 -1.2270 -0.5717
+ 2233TIP3    H2 8148   5.288   2.107   0.214  2.3850  2.0699 -0.9397
+ 2234TIP3   OH2 8149   0.599   3.218   0.627 -0.1649  0.9004 -0.3877
+ 2234TIP3    H1 8150   0.634   3.302   0.600  1.7062  0.3050  0.1381
+ 2234TIP3    H2 8151   0.569   3.232   0.717  1.5025  0.6359  0.2247
+ 2235TIP3   OH2 8152   5.442   5.627   5.761  0.0652 -0.1330 -0.1539
+ 2235TIP3    H1 8153   5.432   5.653   5.852  0.1174 -0.7830  0.0458
+ 2235TIP3    H2 8154   5.354   5.603   5.733  0.0857 -0.1502 -0.2065
+ 2236TIP3   OH2 8155   4.683   3.944   2.465  0.0644  0.4380  1.0011
+ 2236TIP3    H1 8156   4.760   3.986   2.503  0.3895  0.2456  0.5544
+ 2236TIP3    H2 8157   4.623   4.017   2.448  1.3509  0.9853 -1.4853
+ 2237TIP3   OH2 8158   6.529   6.162   2.155 -0.6695 -0.1366 -0.2659
+ 2237TIP3    H1 8159   6.597   6.214   2.111 -0.7579  0.6593  0.5299
+ 2237TIP3    H2 8160   6.463   6.226   2.181 -1.0528 -0.7295  0.2354
+ 2238TIP3   OH2 8161   4.306   5.930   2.102  0.3677 -0.4300 -0.0194
+ 2238TIP3    H1 8162   4.354   5.878   2.167  0.5299  0.1292  0.3170
+ 2238TIP3    H2 8163   4.299   6.016   2.142  1.1628  0.1409 -1.0986
+ 2239TIP3   OH2 8164   3.038   4.792   6.457  0.0071 -0.2202 -0.3850
+ 2239TIP3    H1 8165   2.975   4.816   6.525 -0.7512 -0.4531 -0.9977
+ 2239TIP3    H2 8166   3.002   4.713   6.418 -0.1810  0.5635 -1.8480
+ 2240TIP3   OH2 8167   1.365   5.462   0.293 -0.0403  0.1280 -0.6353
+ 2240TIP3    H1 8168   1.356   5.367   0.293 -1.1289  0.1821  2.1105
+ 2240TIP3    H2 8169   1.282   5.494   0.259 -0.2048  0.1350 -0.2217
+ 2241TIP3   OH2 8170   6.224   5.860   1.148 -0.2061 -1.1217 -0.6690
+ 2241TIP3    H1 8171   6.237   5.803   1.224 -1.5557 -1.7609 -0.8946
+ 2241TIP3    H2 8172   6.297   5.922   1.152 -0.8212 -0.4927  1.7169
+ 2242TIP3   OH2 8173   3.442   4.735   6.757 -0.8828 -0.1637  0.7089
+ 2242TIP3    H1 8174   3.402   4.780   6.682 -0.2712  0.9768  1.0565
+ 2242TIP3    H2 8175   3.535   4.730   6.735 -1.1146 -2.4142  0.1036
+ 2243TIP3   OH2 8176   3.995   3.899   0.271  0.8072 -0.0734  0.1997
+ 2243TIP3    H1 8177   3.924   3.898   0.334 -0.4002  0.3613 -1.1325
+ 2243TIP3    H2 8178   3.985   3.818   0.221  2.1179 -0.7103  0.9304
+ 2244TIP3   OH2 8179   2.599   6.045   6.012  0.0714 -0.4588  0.6972
+ 2244TIP3    H1 8180   2.536   5.992   6.060 -1.0488 -0.1223 -0.3960
+ 2244TIP3    H2 8181   2.576   6.136   6.033 -0.4506 -0.3059 -0.4857
+ 2245TIP3   OH2 8182   2.976   3.734   4.815  0.0203  0.2482  0.0909
+ 2245TIP3    H1 8183   3.006   3.822   4.793 -0.2969  0.4258  0.3665
+ 2245TIP3    H2 8184   2.881   3.742   4.823 -0.1793 -0.4461 -1.3955
+ 2246TIP3   OH2 8185   3.041   5.081   1.756 -0.1044  0.4068 -0.1981
+ 2246TIP3    H1 8186   2.962   5.036   1.788  0.0583  1.3899  1.6365
+ 2246TIP3    H2 8187   3.013   5.171   1.742  0.2466  0.3496 -1.3051
+ 2247TIP3   OH2 8188   0.082   4.073   0.025 -0.1279 -0.2631 -0.2489
+ 2247TIP3    H1 8189   0.108   4.022   0.101  0.7324  0.0698 -0.3228
+ 2247TIP3    H2 8190   0.126   4.157   0.036 -0.3906 -0.0442 -0.8638
+ 2248TIP3   OH2 8191   4.286   5.565   1.005 -0.4132 -0.3885 -0.2719
+ 2248TIP3    H1 8192   4.354   5.561   0.938 -1.1194  1.2081 -1.1063
+ 2248TIP3    H2 8193   4.223   5.629   0.972 -1.8397 -1.1275  0.9366
+ 2249TIP3   OH2 8194   5.543   5.134   0.903  0.2202  0.1049 -0.1970
+ 2249TIP3    H1 8195   5.588   5.051   0.895 -2.4967 -1.3954 -0.5361
+ 2249TIP3    H2 8196   5.570   5.184   0.826  0.4644 -1.1815 -0.9547
+ 2250TIP3   OH2 8197   5.077   5.945   3.892  0.3399 -0.5106  0.1382
+ 2250TIP3    H1 8198   5.136   5.976   3.960 -0.0877  0.1212  0.2241
+ 2250TIP3    H2 8199   5.033   6.024   3.860  0.9303 -0.7170 -1.2499
+ 2251TIP3   OH2 8200   4.653   4.286   6.283 -0.0642  0.5402  0.3093
+ 2251TIP3    H1 8201   4.697   4.370   6.290 -0.5848  0.7780  0.7875
+ 2251TIP3    H2 8202   4.712   4.224   6.325 -0.0656  0.8117  0.7154
+ 2252TIP3   OH2 8203   5.346   4.561   2.429 -0.8806 -0.2622  0.4266
+ 2252TIP3    H1 8204   5.251   4.571   2.428 -0.9273 -0.6125  0.8825
+ 2252TIP3    H2 8205   5.360   4.469   2.454 -0.4665 -1.0294 -2.3943
+ 2253TIP3   OH2 8206   6.689   4.025   0.102 -0.3481 -0.3095 -0.0637
+ 2253TIP3    H1 8207   6.781   4.012   0.077 -0.1554 -0.9011  0.9220
+ 2253TIP3    H2 8208   6.690   4.103   0.158 -0.1140 -1.5800  1.7340
+ 2254TIP3   OH2 8209   2.205   0.748   0.683 -0.4772  0.1845 -0.3196
+ 2254TIP3    H1 8210   2.241   0.791   0.760 -1.2100  0.1622  0.0377
+ 2254TIP3    H2 8211   2.116   0.721   0.709 -0.6946  0.0937 -1.1320
+ 2255TIP3   OH2 8212   4.873   1.793   1.654  0.0142  0.0689  0.2362
+ 2255TIP3    H1 8213   4.921   1.710   1.657  1.7104  1.0320 -0.0247
+ 2255TIP3    H2 8214   4.884   1.825   1.565  0.7862  1.4025  0.7987
+ 2256TIP3   OH2 8215   4.664   5.273   0.408  0.4354  0.3999  0.2809
+ 2256TIP3    H1 8216   4.606   5.220   0.352  3.2156 -0.7190 -1.6956
+ 2256TIP3    H2 8217   4.655   5.362   0.374  1.1557 -0.0656 -1.2131
+ 2257TIP3   OH2 8218   4.044   4.862   1.155 -0.1857 -0.4003 -0.0700
+ 2257TIP3    H1 8219   3.960   4.866   1.200  0.3445 -0.6396  0.9726
+ 2257TIP3    H2 8220   4.036   4.789   1.094 -1.0545  0.1814 -0.6586
+ 2258TIP3   OH2 8221   5.592   3.508   0.676 -0.3164  0.1736  0.4241
+ 2258TIP3    H1 8222   5.654   3.453   0.724 -1.2732 -1.1300  0.2136
+ 2258TIP3    H2 8223   5.626   3.597   0.685 -0.1198 -0.1277  2.9639
+ 2259TIP3   OH2 8224   4.889   3.976   2.070 -0.0673  0.3099  0.3472
+ 2259TIP3    H1 8225   4.839   3.947   1.994 -0.3264 -0.4776  0.8057
+ 2259TIP3    H2 8226   4.959   4.030   2.034 -0.6466  0.5798 -0.3829
+ 2260TIP3   OH2 8227   2.745   6.845   5.786 -0.5402 -0.3336  0.2709
+ 2260TIP3    H1 8228   2.746   6.874   5.877 -0.5398  2.3082 -0.5178
+ 2260TIP3    H2 8229   2.832   6.808   5.771 -0.2513 -0.0124  1.1158
+ 2261TIP3   OH2 8230   3.012   2.519   0.344  0.0250 -0.3102 -0.1319
+ 2261TIP3    H1 8231   3.076   2.582   0.377 -0.2978 -0.2903  0.4519
+ 2261TIP3    H2 8232   3.012   2.448   0.409 -0.3285 -0.4496 -0.2802
+ 2262TIP3   OH2 8233   4.308   4.650   2.638  0.3244 -0.3313  0.2761
+ 2262TIP3    H1 8234   4.252   4.579   2.668  0.5476 -1.0948 -1.0782
+ 2262TIP3    H2 8235   4.290   4.657   2.544  1.8644 -0.0069 -0.0080
+ 2263TIP3   OH2 8236   5.838   4.464   1.022 -0.0410  0.1848  0.2384
+ 2263TIP3    H1 8237   5.796   4.495   1.102 -0.9720 -3.4130  1.2499
+ 2263TIP3    H2 8238   5.903   4.401   1.053 -0.8519 -1.7172 -1.8440
+ 2264TIP3   OH2 8239   4.882   4.621   0.523 -0.2045  0.2089 -0.0341
+ 2264TIP3    H1 8240   4.923   4.622   0.437 -0.4553 -0.5594 -0.1611
+ 2264TIP3    H2 8241   4.923   4.694   0.570 -0.0714  0.6299 -0.7977
+ 2265TIP3   OH2 8242   3.767   5.530   6.879 -0.8543  0.0773 -0.6512
+ 2265TIP3    H1 8243   3.823   5.532   6.956 -0.8826 -0.8951 -0.6065
+ 2265TIP3    H2 8244   3.818   5.575   6.811 -1.1453  1.6114  0.1353
+ 2266TIP3   OH2 8245   6.050   3.261   0.789 -0.1573 -0.0813 -0.3761
+ 2266TIP3    H1 8246   6.095   3.190   0.835  0.7044  1.0177  0.5160
+ 2266TIP3    H2 8247   6.094   3.341   0.819 -0.3889  0.7549 -2.2013
+ 2267TIP3   OH2 8248   5.134   1.966   1.192 -0.3141 -0.2278  0.5397
+ 2267TIP3    H1 8249   5.082   2.033   1.236  0.2934  0.7961 -0.2735
+ 2267TIP3    H2 8250   5.078   1.888   1.192 -1.0860  0.3163  1.3638
+ 2268TIP3   OH2 8251   4.035   4.399   4.744  0.2954 -0.3562 -0.8313
+ 2268TIP3    H1 8252   4.102   4.416   4.810 -1.5371 -1.2870  1.3496
+ 2268TIP3    H2 8253   4.067   4.442   4.665  2.6920  0.5340  0.5843
+ 2269TIP3   OH2 8254   3.541   4.777   5.579  0.5320 -0.2118 -0.7071
+ 2269TIP3    H1 8255   3.577   4.695   5.613  0.1028 -0.4051 -0.7158
+ 2269TIP3    H2 8256   3.617   4.825   5.546  0.6774 -0.9769 -1.4890
+ 2270TIP3   OH2 8257   5.947   0.224   2.211  0.8630  0.2128 -0.4836
+ 2270TIP3    H1 8258   5.942   0.204   2.304 -0.6406  1.6098 -0.2454
+ 2270TIP3    H2 8259   6.007   0.299   2.206 -0.4369  1.2676 -0.4429
+ 2271TIP3   OH2 8260   3.034   4.571   6.662 -0.4184  0.0727  0.2828
+ 2271TIP3    H1 8261   3.117   4.528   6.683 -1.1676 -1.4672  0.1062
+ 2271TIP3    H2 8262   3.059   4.642   6.602  0.7452 -0.4748  0.0992
+ 2272TIP3   OH2 8263   3.327   6.856   0.079  0.0187  0.4861 -0.0970
+ 2272TIP3    H1 8264   3.390   6.862   0.150  1.6253  2.3751 -1.6060
+ 2272TIP3    H2 8265   3.265   6.927   0.096 -0.2945  0.1676  0.0824
+ 2273TIP3   OH2 8266   6.529   4.919   6.395  0.3555  0.6722 -0.2352
+ 2273TIP3    H1 8267   6.448   4.906   6.445 -1.5542 -0.1353 -3.3749
+ 2273TIP3    H2 8268   6.560   4.831   6.375  2.1876  0.9734  1.1321
+ 2274TIP3   OH2 8269   2.698   5.994   2.726 -0.3755  0.2597  0.0271
+ 2274TIP3    H1 8270   2.709   5.945   2.808 -1.3091 -0.5312 -0.3121
+ 2274TIP3    H2 8271   2.726   5.932   2.658  1.9369  1.4541 -0.1612
+ 2275TIP3   OH2 8272   4.076   4.927   0.431 -0.6924 -0.1048  0.2647
+ 2275TIP3    H1 8273   4.134   4.960   0.500 -2.0400  0.3145  1.1965
+ 2275TIP3    H2 8274   3.988   4.938   0.466 -1.2777 -2.3136 -0.4479
+ 2276TIP3   OH2 8275   3.090   6.053   5.627 -0.1126  0.2379 -0.2695
+ 2276TIP3    H1 8276   3.171   6.003   5.626 -1.2857 -1.7047 -0.4051
+ 2276TIP3    H2 8277   3.045   6.027   5.547 -1.0128  1.0596 -0.0412
+ 2277TIP3   OH2 8278   4.367   4.565   0.737  0.3181  0.1170  0.5493
+ 2277TIP3    H1 8279   4.373   4.650   0.779 -2.7024 -0.3499  2.0897
+ 2277TIP3    H2 8280   4.406   4.578   0.651 -0.9636  3.3418  0.3730
+ 2278TIP3   OH2 8281   3.536   0.299   2.711 -0.5527 -0.0493  0.5782
+ 2278TIP3    H1 8282   3.452   0.255   2.726 -0.2121 -0.2460  2.0900
+ 2278TIP3    H2 8283   3.601   0.230   2.723 -0.1557  0.1662 -0.2994
+ 2279TIP3   OH2 8284   5.711   5.391   4.969  0.7356  0.1197  0.4897
+ 2279TIP3    H1 8285   5.773   5.375   5.041  2.4817  0.4277 -0.9266
+ 2279TIP3    H2 8286   5.675   5.304   4.950  1.1014 -0.1497  0.9942
+ 2280TIP3   OH2 8287   4.820   3.667   2.004 -0.1954  0.4929  0.0064
+ 2280TIP3    H1 8288   4.809   3.627   2.090  0.0604 -0.7115 -0.5118
+ 2280TIP3    H2 8289   4.742   3.641   1.955  1.1133 -1.4429 -1.1146
+ 2281TIP3   OH2 8290   4.385   3.289   1.735 -0.1938  0.3121 -0.3337
+ 2281TIP3    H1 8291   4.385   3.273   1.830 -1.5296  3.7778  0.2961
+ 2281TIP3    H2 8292   4.477   3.281   1.710  0.0006 -2.1390  0.9254
+ 2282TIP3   OH2 8293   0.126   3.897   0.744  0.0410 -0.3410 -0.6464
+ 2282TIP3    H1 8294   0.141   3.834   0.815 -1.5612 -1.3059 -1.1503
+ 2282TIP3    H2 8295   0.195   3.877   0.680  1.7551  0.8060  0.7783
+ 2283TIP3   OH2 8296   4.092   3.798   1.211 -0.3280 -0.6359 -0.4243
+ 2283TIP3    H1 8297   4.021   3.857   1.185  2.1158  1.9351 -1.5591
+ 2283TIP3    H2 8298   4.066   3.766   1.297 -2.7877  0.3645 -0.7339
+ 2284TIP3   OH2 8299   3.391   0.784   1.920  0.3127 -0.0686 -0.3395
+ 2284TIP3    H1 8300   3.479   0.776   1.884  0.4182 -0.9526  0.1114
+ 2284TIP3    H2 8301   3.405   0.822   2.007  0.0859  1.7210 -1.0625
+ 2285TIP3   OH2 8302   6.448   3.865   0.714  0.0957  0.0095 -0.2732
+ 2285TIP3    H1 8303   6.503   3.903   0.645  0.6558 -1.8497 -0.8974
+ 2285TIP3    H2 8304   6.402   3.793   0.670  1.0920 -1.7434  1.4664
+ 2286TIP3   OH2 8305   5.694   5.159   3.420  0.1216 -0.2813  0.1152
+ 2286TIP3    H1 8306   5.779   5.117   3.429 -0.5583 -1.4102  1.4546
+ 2286TIP3    H2 8307   5.678   5.201   3.505 -1.0784 -0.9061  0.2168
+ 2287TIP3   OH2 8308   5.318   6.062   2.615 -0.0937  0.4128  0.0190
+ 2287TIP3    H1 8309   5.265   6.100   2.546 -1.2684 -0.0520  0.6419
+ 2287TIP3    H2 8310   5.394   6.120   2.623 -0.5785  1.1618 -0.7892
+ 2288TIP3   OH2 8311   5.533   4.640   6.651  0.1238 -0.0914 -0.4410
+ 2288TIP3    H1 8312   5.494   4.585   6.583 -0.0960  1.2096 -1.3914
+ 2288TIP3    H2 8313   5.459   4.671   6.702  0.2125 -0.3435 -0.1595
+ 2289TIP3   OH2 8314   3.535   3.512   2.270  0.1261 -0.6091  0.3524
+ 2289TIP3    H1 8315   3.472   3.581   2.293 -1.3165 -1.5636 -0.6010
+ 2289TIP3    H2 8316   3.511   3.438   2.325 -1.7023 -2.0457 -2.2545
+ 2290TIP3   OH2 8317   1.258   3.743   2.004  0.4425  0.0083 -0.4354
+ 2290TIP3    H1 8318   1.199   3.720   1.932 -1.6965 -0.4543  1.3946
+ 2290TIP3    H2 8319   1.214   3.816   2.047  0.3922 -1.3692  1.9097
+ 2291TIP3   OH2 8320   3.261   5.039   0.607 -0.3847 -0.1777 -0.4265
+ 2291TIP3    H1 8321   3.292   5.058   0.518  1.6712  2.2665  0.7407
+ 2291TIP3    H2 8322   3.285   4.947   0.621  0.2634 -0.2659 -2.0131
+ 2292TIP3   OH2 8323   6.329   4.246   2.916  0.3294  0.2927  0.5893
+ 2292TIP3    H1 8324   6.410   4.253   2.866 -0.8720  0.7224 -1.3415
+ 2292TIP3    H2 8325   6.281   4.174   2.874 -0.7351  0.7304  1.0471
+ 2293TIP3   OH2 8326   6.230   6.694   1.638 -0.3976 -0.0121 -0.6424
+ 2293TIP3    H1 8327   6.138   6.671   1.649 -0.5211  0.7973  0.1555
+ 2293TIP3    H2 8328   6.232   6.790   1.650  0.4406  0.0587 -1.3372
+ 2294TIP3   OH2 8329   5.306   3.687   0.412 -0.1444 -0.4254  0.0078
+ 2294TIP3    H1 8330   5.262   3.664   0.330 -1.8409 -0.7995  0.9927
+ 2294TIP3    H2 8331   5.398   3.666   0.397 -1.0482 -4.5002 -0.3880
+ 2295TIP3   OH2 8332   3.712   3.644   1.902 -0.0387  0.0134  0.8267
+ 2295TIP3    H1 8333   3.702   3.728   1.947  0.4374 -0.0420  1.0463
+ 2295TIP3    H2 8334   3.742   3.584   1.970 -0.1290 -0.2737  0.6140
+ 2296TIP3   OH2 8335   3.991   5.727   1.154 -0.4278  0.4836  0.6878
+ 2296TIP3    H1 8336   3.902   5.705   1.181  0.0728  0.4467  2.3505
+ 2296TIP3    H2 8337   4.047   5.681   1.216  0.8057 -0.7203 -1.2756
+ 2297TIP3   OH2 8338   4.976   2.751   2.579 -0.1012  1.1285  0.1671
+ 2297TIP3    H1 8339   4.963   2.753   2.673 -2.7054  1.9909 -0.1693
+ 2297TIP3    H2 8340   4.967   2.842   2.551  0.3262  0.8411 -0.9594
+ 2298TIP3   OH2 8341   0.077   5.069   1.527 -0.1267  0.2792 -0.2040
+ 2298TIP3    H1 8342   0.156   5.026   1.495 -1.5819 -0.6496 -2.6677
+ 2298TIP3    H2 8343   0.088   5.161   1.503 -0.4944 -0.1391 -2.0747
+ 2299TIP3   OH2 8344   3.240   4.434   1.507  0.1223 -0.1373 -0.1853
+ 2299TIP3    H1 8345   3.236   4.509   1.447  1.2167 -0.9336 -1.2932
+ 2299TIP3    H2 8346   3.166   4.446   1.566 -0.7375  0.9061 -1.4458
+ 2300TIP3   OH2 8347   6.328   1.722   0.453  0.2936  0.4266  0.2650
+ 2300TIP3    H1 8348   6.413   1.740   0.494  0.3801  1.4778 -0.3576
+ 2300TIP3    H2 8349   6.334   1.631   0.424  1.4889  0.7212 -0.4453
+ 2301TIP3   OH2 8350   5.361   2.446   0.403  0.8044 -1.0706  0.1517
+ 2301TIP3    H1 8351   5.417   2.524   0.395  0.7310 -0.9831  0.4862
+ 2301TIP3    H2 8352   5.421   2.377   0.431  0.5306 -0.6974  1.6887
+ 2302TIP3   OH2 8353   3.633   4.627   0.191  0.0993  0.0086  0.0733
+ 2302TIP3    H1 8354   3.670   4.558   0.136  0.6379  0.6219 -0.3492
+ 2302TIP3    H2 8355   3.539   4.625   0.171  0.1332 -0.5060 -0.0422
+ 2303TIP3   OH2 8356   4.404   4.792   5.444 -0.2167 -0.4573 -0.3157
+ 2303TIP3    H1 8357   4.344   4.742   5.389 -0.7754 -0.8049  0.5893
+ 2303TIP3    H2 8358   4.491   4.766   5.415 -0.5022  0.1664 -1.7511
+ 2304TIP3   OH2 8359   5.718   3.025   2.286  0.5838 -0.5446  0.3392
+ 2304TIP3    H1 8360   5.623   3.036   2.295  0.6852 -0.6603  1.7461
+ 2304TIP3    H2 8361   5.732   2.930   2.291  0.8211 -0.4928  0.6977
+ 2305TIP3   OH2 8362   3.995   2.767   6.458 -0.2573 -0.1433  0.2484
+ 2305TIP3    H1 8363   4.025   2.856   6.438  0.7392 -0.6059 -0.3490
+ 2305TIP3    H2 8364   3.905   2.764   6.426 -0.1111  0.4782 -0.2178
+ 2306TIP3   OH2 8365   5.050   3.578   1.893 -0.0356 -0.2993  0.6754
+ 2306TIP3    H1 8366   4.961   3.609   1.909 -0.0865 -0.1985  0.2125
+ 2306TIP3    H2 8367   5.068   3.603   1.802 -0.2787 -2.0872  0.1158
+ 2307TIP3   OH2 8368   5.324   4.239   1.632 -0.1567  0.0434  0.3278
+ 2307TIP3    H1 8369   5.297   4.157   1.590  0.9383 -0.2515  0.1893
+ 2307TIP3    H2 8370   5.280   4.307   1.580 -0.1465 -0.3951 -0.2685
+ 2308TIP3   OH2 8371   5.223   4.467   0.981  0.2491  0.1509  0.1938
+ 2308TIP3    H1 8372   5.160   4.495   0.915 -0.9460 -0.1750  1.1592
+ 2308TIP3    H2 8373   5.240   4.375   0.960 -1.3903 -0.4362  1.2586
+ 2309TIP3   OH2 8374   0.311   3.678   2.556  0.2324 -0.3209  0.1385
+ 2309TIP3    H1 8375   0.240   3.671   2.492  0.7203 -0.2949 -0.4161
+ 2309TIP3    H2 8376   0.373   3.740   2.516  0.9965 -1.0343  0.1934
+ 2310TIP3   OH2 8377   0.153   4.372   0.510 -0.3285 -0.0868 -0.1134
+ 2310TIP3    H1 8378   0.129   4.310   0.580 -1.2378  0.5010  0.0995
+ 2310TIP3    H2 8379   0.076   4.374   0.453  0.4520 -0.6397 -1.2027
+ 2311TIP3   OH2 8380   6.705   4.546   0.736  0.2701  0.3448  0.0013
+ 2311TIP3    H1 8381   6.685   4.562   0.829  0.0593 -0.5238  0.1097
+ 2311TIP3    H2 8382   6.768   4.474   0.738 -1.4579 -1.2183 -0.6276
+ 2312TIP3   OH2 8383   0.804   5.380   5.081  0.3099 -0.1163  0.0871
+ 2312TIP3    H1 8384   0.797   5.375   5.176 -1.4156  0.1609 -0.0047
+ 2312TIP3    H2 8385   0.804   5.474   5.062 -1.8295 -0.1794 -0.3272
+ 2313TIP3   OH2 8386   5.272   4.354   2.800 -0.6337  0.0364  0.5418
+ 2313TIP3    H1 8387   5.208   4.283   2.806 -1.0308 -0.0570 -3.4219
+ 2313TIP3    H2 8388   5.346   4.316   2.751  0.1886  1.6258  0.5205
+ 2314TIP3   OH2 8389   0.650   4.197   6.613  0.0785 -0.0627 -0.2170
+ 2314TIP3    H1 8390   0.614   4.169   6.698  0.0182 -0.8527 -0.4962
+ 2314TIP3    H2 8391   0.643   4.119   6.558  1.6998 -0.0632 -0.4403
+ 2315TIP3   OH2 8392   4.741   5.444   0.763 -0.4812 -0.6652 -0.1957
+ 2315TIP3    H1 8393   4.696   5.493   0.831  0.9884  0.1440  0.2223
+ 2315TIP3    H2 8394   4.721   5.352   0.782 -2.5679 -0.2983 -0.5016
+ 2316TIP3   OH2 8395   2.161   1.276   3.219 -0.0218  0.6643  0.1132
+ 2316TIP3    H1 8396   2.197   1.188   3.211 -0.3767  0.5862 -0.7248
+ 2316TIP3    H2 8397   2.122   1.294   3.133  0.3939  1.7911  0.1499
+ 2317TIP3   OH2 8398   6.252   5.324   2.208  0.5557 -0.4259  0.2860
+ 2317TIP3    H1 8399   6.308   5.316   2.286  0.6363 -0.5992  0.2090
+ 2317TIP3    H2 8400   6.311   5.360   2.141  1.0760 -2.3830 -0.3473
+ 2318TIP3   OH2 8401   4.559   6.037   6.513 -0.3481  0.3064  0.1570
+ 2318TIP3    H1 8402   4.576   5.966   6.452 -2.9012  0.8263 -1.2385
+ 2318TIP3    H2 8403   4.540   6.113   6.458  1.2107  1.8028  1.6192
+ 2319TIP3   OH2 8404   3.221   4.258   6.119 -0.7846 -0.0088 -0.3183
+ 2319TIP3    H1 8405   3.242   4.304   6.201  0.5380 -1.7256  0.3654
+ 2319TIP3    H2 8406   3.297   4.274   6.063 -0.8692 -0.3350 -0.5246
+ 2320TIP3   OH2 8407   5.448   4.917   2.015  0.1501 -0.3865  0.3428
+ 2320TIP3    H1 8408   5.435   4.866   2.095 -1.1287 -0.8235 -0.1302
+ 2320TIP3    H2 8409   5.384   4.882   1.953  1.1531 -0.0743 -0.8869
+ 2321TIP3   OH2 8410   6.438   5.028   3.637 -0.5017 -0.1271  0.1663
+ 2321TIP3    H1 8411   6.456   5.095   3.570 -1.1850  0.1803  0.2833
+ 2321TIP3    H2 8412   6.523   4.987   3.653 -0.1118  0.5815 -0.0493
+ 2322TIP3   OH2 8413   6.049   4.399   1.511  0.6030  0.2825  0.4491
+ 2322TIP3    H1 8414   6.068   4.461   1.441 -0.0453  0.2937  0.2846
+ 2322TIP3    H2 8415   6.136   4.372   1.543  0.8935  0.6145 -0.0548
+ 2323TIP3   OH2 8416   3.696   4.158   0.842  0.5701 -0.0612  0.6547
+ 2323TIP3    H1 8417   3.661   4.141   0.930  0.6456 -4.4624 -0.0460
+ 2323TIP3    H2 8418   3.787   4.129   0.847  0.9956  1.0216 -0.5330
+ 2324TIP3   OH2 8419   6.060   2.894   2.464  0.0231  0.1745 -0.1808
+ 2324TIP3    H1 8420   6.077   2.810   2.506  0.3176 -0.9116 -2.3795
+ 2324TIP3    H2 8421   5.975   2.883   2.422 -0.6958  1.5500  0.8851
+ 2325TIP3   OH2 8422   5.141   3.193   2.203  0.1721  0.0441  0.2110
+ 2325TIP3    H1 8423   5.229   3.231   2.192  0.1809  0.0244  0.2122
+ 2325TIP3    H2 8424   5.134   3.129   2.132  1.3697 -2.1849  2.0272
+ 2326TIP3   OH2 8425   2.996   5.452   2.385  0.2119  0.5767 -0.3582
+ 2326TIP3    H1 8426   2.930   5.489   2.327 -1.0102 -0.9700  0.0250
+ 2326TIP3    H2 8427   2.957   5.458   2.472  1.0621  0.7132  0.0150
+ 2327TIP3   OH2 8428   2.140   4.075   0.248  0.2573 -0.3959 -0.6968
+ 2327TIP3    H1 8429   2.066   4.131   0.226 -0.4561 -1.1202 -0.1669
+ 2327TIP3    H2 8430   2.125   3.995   0.197  1.1663 -0.1945 -1.2993
+ 2328TIP3   OH2 8431   5.639   4.199   2.377  0.4362 -0.3320  0.5288
+ 2328TIP3    H1 8432   5.688   4.243   2.308  0.0569  0.6535  0.8777
+ 2328TIP3    H2 8433   5.620   4.267   2.441  0.2913 -1.1103  1.3384
+ 2329TIP3   OH2 8434   4.514   4.666   6.146 -0.1097  0.0348  0.2762
+ 2329TIP3    H1 8435   4.606   4.641   6.137 -0.3219 -0.7635  0.3503
+ 2329TIP3    H2 8436   4.518   4.759   6.169  0.7063 -0.1736  1.0207
+ 2330TIP3   OH2 8437   2.663   5.873   5.355 -0.4866  0.7716 -0.8149
+ 2330TIP3    H1 8438   2.685   5.780   5.351 -1.0305  0.3784  2.8867
+ 2330TIP3    H2 8439   2.744   5.918   5.331  0.8660 -0.6968  0.8418
+ 2331TIP3   OH2 8440   1.071   5.891   4.827 -0.1062 -0.2054  0.1148
+ 2331TIP3    H1 8441   0.993   5.848   4.791  0.5471  0.0637 -1.6666
+ 2331TIP3    H2 8442   1.073   5.977   4.786  1.7023 -0.6025 -0.6923
+ 2332TIP3   OH2 8443   5.258   3.287   1.000 -0.2508 -0.0301 -0.7140
+ 2332TIP3    H1 8444   5.292   3.344   1.069 -2.3790 -0.4715  0.7217
+ 2332TIP3    H2 8445   5.287   3.330   0.918  0.7108  1.4796  0.3798
+ 2333TIP3   OH2 8446   3.161   6.769   4.880 -0.4220  0.2180 -0.8919
+ 2333TIP3    H1 8447   3.208   6.837   4.832 -0.1996  0.8831  0.2542
+ 2333TIP3    H2 8448   3.070   6.778   4.852 -0.1906  0.1700 -1.6748
+ 2334TIP3   OH2 8449   5.327   1.234   2.067  0.1055  0.3092  0.3782
+ 2334TIP3    H1 8450   5.363   1.314   2.105 -1.6049  1.0994  0.3792
+ 2334TIP3    H2 8451   5.236   1.256   2.045 -0.4733 -1.7069  0.6034
+ 2335TIP3   OH2 8452   6.072   5.131   0.156  0.3691  0.2815 -0.4978
+ 2335TIP3    H1 8453   6.000   5.194   0.150  1.3318  1.3132 -1.4512
+ 2335TIP3    H2 8454   6.088   5.104   0.066  1.5486  0.4845 -0.3508
+ 2336TIP3   OH2 8455   4.574   6.187   6.815 -0.4320  0.3310  0.4481
+ 2336TIP3    H1 8456   4.614   6.212   6.898  1.0517  0.3297 -0.2598
+ 2336TIP3    H2 8457   4.622   6.109   6.787 -1.8017 -0.4574  0.2355
+ 2337TIP3   OH2 8458   6.391   1.860   1.078  0.0817  0.4600  0.0147
+ 2337TIP3    H1 8459   6.317   1.860   1.018 -1.1064  0.3723  1.4409
+ 2337TIP3    H2 8460   6.422   1.769   1.078  0.7428  0.6738 -1.2280
+ 2338TIP3   OH2 8461   1.148   4.201   6.764  0.2105  0.7151  0.5170
+ 2338TIP3    H1 8462   1.182   4.186   6.676 -0.2134  1.7761  0.1634
+ 2338TIP3    H2 8463   1.059   4.167   6.762  0.6694 -0.5535  0.9620
+ 2339TIP3   OH2 8464   4.877   5.926   0.341 -0.1284 -0.1366 -0.2037
+ 2339TIP3    H1 8465   4.935   5.851   0.332 -0.4204 -0.2352 -1.3693
+ 2339TIP3    H2 8466   4.836   5.935   0.255 -1.9071 -0.1271  0.6217
+ 2340TIP3   OH2 8467   5.504   3.574   1.732  0.1929  0.2292 -0.4297
+ 2340TIP3    H1 8468   5.443   3.503   1.716 -0.8366  1.0221 -0.0853
+ 2340TIP3    H2 8469   5.491   3.635   1.659  0.3630  0.5477 -0.2001
+ 2341TIP3   OH2 8470   6.090   4.236   2.016  0.0803 -0.1970 -0.4957
+ 2341TIP3    H1 8471   6.153   4.298   1.979  1.5356 -2.0487 -1.2046
+ 2341TIP3    H2 8472   6.135   4.195   2.089 -0.2072 -1.6705 -1.1128
+ 2342TIP3   OH2 8473   5.347   5.329   0.940 -0.1307  0.1750 -0.2029
+ 2342TIP3    H1 8474   5.401   5.250   0.934 -1.2066 -0.5530 -0.4221
+ 2342TIP3    H2 8475   5.299   5.332   0.858  0.3774  1.4195 -0.4617
+ 2343TIP3   OH2 8476   3.882   3.977   1.157  0.2818 -0.2537  0.5799
+ 2343TIP3    H1 8477   3.810   4.037   1.134  0.7137  0.2539  0.5314
+ 2343TIP3    H2 8478   3.898   3.993   1.250  2.1493  1.6202 -0.0369
+ 2344TIP3   OH2 8479   2.385   5.399   6.061 -0.1563 -0.2177 -0.0322
+ 2344TIP3    H1 8480   2.400   5.333   5.994 -1.1997  0.7290 -1.2331
+ 2344TIP3    H2 8481   2.383   5.350   6.143 -2.3234 -1.8991 -1.0154
+ 2345TIP3   OH2 8482   4.902   4.191   6.374  0.8430 -0.0249 -0.2451
+ 2345TIP3    H1 8483   4.888   4.121   6.310  1.3306 -0.8938  0.5852
+ 2345TIP3    H2 8484   4.937   4.147   6.451 -0.1970  0.9382  0.8088
+ 2346TIP3   OH2 8485   3.790   3.445   6.745 -0.3983  1.1315  0.1514
+ 2346TIP3    H1 8486   3.854   3.514   6.728  0.1484  0.7069  0.4592
+ 2346TIP3    H2 8487   3.767   3.411   6.658 -1.0233  2.0179 -0.0275
+ 2347TIP3   OH2 8488   6.831   3.044   6.708 -0.1023  0.1674  0.1179
+ 2347TIP3    H1 8489   6.762   3.102   6.738 -1.2922 -2.0361  1.7688
+ 2347TIP3    H2 8490   6.903   3.059   6.769 -0.2850  0.1178  0.3431
+ 2348TIP3   OH2 8491   5.496   2.195   1.346  0.0258 -0.3522  0.3810
+ 2348TIP3    H1 8492   5.456   2.226   1.264 -0.2876 -2.3368 -0.2381
+ 2348TIP3    H2 8493   5.423   2.190   1.407 -0.1199 -0.9551  0.1575
+ 2349TIP3   OH2 8494   5.801   3.031   6.657 -0.0422 -0.5259 -0.0075
+ 2349TIP3    H1 8495   5.889   3.026   6.692  0.7531  3.0463 -1.3373
+ 2349TIP3    H2 8496   5.746   3.055   6.731  0.3424 -1.0710  0.4597
+ 2350TIP3   OH2 8497   3.126   5.197   0.821  0.0038 -0.0868  0.1005
+ 2350TIP3    H1 8498   3.154   5.255   0.751 -1.3047  0.5671  0.0985
+ 2350TIP3    H2 8499   3.158   5.110   0.795  2.6043  0.7193  0.4658
+ 2351TIP3   OH2 8500   5.139   4.092   1.991  0.2655 -0.0988  0.4520
+ 2351TIP3    H1 8501   5.127   4.003   2.021 -0.3976 -0.0660  0.2784
+ 2351TIP3    H2 8502   5.232   4.096   1.965  0.2384 -0.7966  0.2413
+ 2352TIP3   OH2 8503   4.698   2.726   1.190  0.0511 -0.0231  0.3792
+ 2352TIP3    H1 8504   4.713   2.634   1.211  0.1949 -0.1979 -0.4713
+ 2352TIP3    H2 8505   4.608   2.729   1.158  0.6400 -0.1841 -1.3389
+ 2353TIP3   OH2 8506   3.157   6.338   0.680  0.6292 -0.1884  0.6391
+ 2353TIP3    H1 8507   3.224   6.326   0.613  1.7898  0.4789  1.6725
+ 2353TIP3    H2 8508   3.092   6.270   0.662  1.4520 -0.6743 -0.5133
+ 2354TIP3   OH2 8509   3.933   6.504   2.172  0.3912  0.1133 -0.6620
+ 2354TIP3    H1 8510   3.846   6.538   2.190  0.1631 -0.8410  0.0760
+ 2354TIP3    H2 8511   3.964   6.554   2.096 -1.6241 -1.0043 -2.2584
+ 2355TIP3   OH2 8512   3.286   4.877   6.390  0.4994  0.2307  0.1496
+ 2355TIP3    H1 8513   3.198   4.849   6.413  0.7588 -0.7576 -0.0441
+ 2355TIP3    H2 8514   3.315   4.929   6.466 -0.2495  0.5764  0.1980
+ 2356TIP3   OH2 8515   6.156   3.786   1.421  0.0412  0.0657  0.6857
+ 2356TIP3    H1 8516   6.095   3.813   1.352 -1.2214 -0.0088  1.7604
+ 2356TIP3    H2 8517   6.230   3.847   1.412 -0.5689  0.7146 -0.0787
+ 2357TIP3   OH2 8518   4.712   5.480   5.949 -0.1414  0.1880  0.1255
+ 2357TIP3    H1 8519   4.647   5.455   6.014  1.5826  0.1432  1.8919
+ 2357TIP3    H2 8520   4.741   5.397   5.911 -1.8035  0.2718 -1.4011
+ 2358TIP3   OH2 8521   0.004   4.115   1.531 -0.5540 -0.6336 -0.2387
+ 2358TIP3    H1 8522   0.069   4.114   1.461 -0.1648  0.8482  0.0757
+ 2358TIP3    H2 8523  -0.065   4.174   1.500 -2.8950 -3.8607 -1.5222
+ 2359TIP3   OH2 8524   4.275   3.408   2.003  0.0092 -0.8064 -0.0083
+ 2359TIP3    H1 8525   4.309   3.324   2.035  1.4416 -0.9229 -1.7316
+ 2359TIP3    H2 8526   4.353   3.456   1.976 -1.0577 -0.4627 -2.6155
+ 2360TIP3   OH2 8527   5.467   3.786   2.532  0.4529 -0.4711 -0.2693
+ 2360TIP3    H1 8528   5.424   3.701   2.541  0.5266 -0.5204 -0.3786
+ 2360TIP3    H2 8529   5.395   3.849   2.528  0.4321 -0.3344  1.7982
+ 2361TIP3   OH2 8530   5.632   4.742   2.408  0.2250  0.4062  0.0634
+ 2361TIP3    H1 8531   5.538   4.756   2.393  0.0237 -0.4675  0.4370
+ 2361TIP3    H2 8532   5.665   4.714   2.323  0.4332  2.1021 -0.4260
+ 2362TIP3   OH2 8533   5.454   4.572   2.808  0.0584 -0.2024  0.6228
+ 2362TIP3    H1 8534   5.380   4.513   2.825  0.2955 -0.3105  1.2851
+ 2362TIP3    H2 8535   5.414   4.659   2.801 -0.3338 -0.4695 -0.6873
+ 2363TIP3   OH2 8536   0.736   5.061   2.557  0.4166  0.2389 -0.5533
+ 2363TIP3    H1 8537   0.809   5.081   2.616 -1.1070  1.4602  0.9806
+ 2363TIP3    H2 8538   0.745   5.125   2.486  0.6240  0.6190 -0.1890
+ 2364TIP3   OH2 8539   5.876   4.672   0.828  0.0584  0.5816 -0.1606
+ 2364TIP3    H1 8540   5.909   4.752   0.868 -2.0026  0.8210  1.0931
+ 2364TIP3    H2 8541   5.858   4.613   0.901 -1.9394  0.3262 -0.8342
+ 2365TIP3   OH2 8542   6.342   4.586   0.818  0.0962 -0.3619  0.3187
+ 2365TIP3    H1 8543   6.373   4.517   0.758  0.3399 -1.5871  1.8097
+ 2365TIP3    H2 8544   6.279   4.636   0.767  0.0498 -1.5908 -0.8589
+ 2366TIP3   OH2 8545   6.802   5.984   1.534 -0.4687 -0.0279 -0.2253
+ 2366TIP3    H1 8546   6.832   6.046   1.467  0.5181 -0.6125 -0.3369
+ 2366TIP3    H2 8547   6.750   6.036   1.594  0.0338  0.8362 -0.5350
+ 2367TIP3   OH2 8548   6.753   0.230   0.378 -0.0492  0.0907 -0.1152
+ 2367TIP3    H1 8549   6.697   0.216   0.454 -0.6168 -1.4061 -0.7767
+ 2367TIP3    H2 8550   6.716   0.306   0.334 -0.1289  0.5434  0.7173
+ 2368TIP3   OH2 8551   4.771   5.263   1.683 -0.1706 -0.2227 -0.2045
+ 2368TIP3    H1 8552   4.781   5.343   1.734  0.6027 -0.1031 -0.5347
+ 2368TIP3    H2 8553   4.838   5.204   1.717 -1.2163 -0.9974  0.5325
+ 2369TIP3   OH2 8554   6.483   3.737   0.366 -0.2792  0.0231 -0.7376
+ 2369TIP3    H1 8555   6.459   3.828   0.352 -0.3378  0.0314 -0.5814
+ 2369TIP3    H2 8556   6.421   3.705   0.431  1.6643  0.7252  1.5134
+ 2370TIP3   OH2 8557   6.811   4.381   0.358  0.0819 -0.1321 -0.4722
+ 2370TIP3    H1 8558   6.759   4.418   0.287 -0.4329 -0.4143 -0.2453
+ 2370TIP3    H2 8559   6.789   4.287   0.357  0.0745 -0.1378  0.0568
+ 2371TIP3   OH2 8560   5.868   5.089   2.325 -0.3528 -0.6697 -0.1067
+ 2371TIP3    H1 8561   5.819   5.051   2.252 -2.0515  1.7592 -0.2962
+ 2371TIP3    H2 8562   5.810   5.080   2.400 -0.6205  1.0693 -0.0682
+ 2372TIP3   OH2 8563   6.534   3.569   3.030  0.5856 -0.3098  0.0630
+ 2372TIP3    H1 8564   6.482   3.646   3.008  0.2435 -1.0585 -1.8366
+ 2372TIP3    H2 8565   6.560   3.583   3.121 -0.7800  1.2940  0.2343
+ 2373TIP3   OH2 8566   6.575   3.024   0.878  0.0479 -0.2520  0.5542
+ 2373TIP3    H1 8567   6.666   3.013   0.907 -0.2777 -0.3005  1.5889
+ 2373TIP3    H2 8568   6.575   3.108   0.833  0.7942 -0.6577 -0.2083
+ 2374TIP3   OH2 8569   5.013   4.599   2.462 -0.1403  0.1972 -0.2022
+ 2374TIP3    H1 8570   5.036   4.506   2.462  2.1542  0.6859  2.4263
+ 2374TIP3    H2 8571   4.918   4.601   2.473 -0.3658 -1.8369 -1.5159
+ 2375TIP3   OH2 8572   0.738   4.171   2.059  0.0235  0.0364 -0.1059
+ 2375TIP3    H1 8573   0.748   4.265   2.043  1.5391 -0.3601 -1.5729
+ 2375TIP3    H2 8574   0.685   4.140   1.986  1.8229 -0.7211 -1.1010
+ 2376TIP3   OH2 8575   6.826   0.648   2.611 -0.1908  0.1053  0.4047
+ 2376TIP3    H1 8576   6.908   0.639   2.562  0.2731  0.8474  1.0384
+ 2376TIP3    H2 8577   6.801   0.558   2.632  1.0449 -0.0646  1.1712
+ 2377TIP3   OH2 8578   0.493   4.272   3.354 -0.2363  0.0949 -0.0003
+ 2377TIP3    H1 8579   0.468   4.253   3.264 -0.1828 -0.1833  0.0423
+ 2377TIP3    H2 8580   0.509   4.186   3.393 -1.2729  0.1576  0.5739
+ 2378TIP3   OH2 8581   6.863   4.929   0.208  0.0104 -0.0343 -0.7161
+ 2378TIP3    H1 8582   6.770   4.953   0.208  0.1995  0.7873  0.3983
+ 2378TIP3    H2 8583   6.863   4.835   0.228 -0.6114 -0.2031 -1.4914
+ 2379TIP3   OH2 8584   0.967   4.579   6.185  0.0420  0.1290 -0.2583
+ 2379TIP3    H1 8585   0.936   4.669   6.198 -0.7223  0.0307 -1.3092
+ 2379TIP3    H2 8586   0.887   4.527   6.180  0.4831 -0.6252  0.4160
+ 2380TIP3   OH2 8587   1.147   5.998   0.328  0.2249  0.6283  0.4959
+ 2380TIP3    H1 8588   1.180   6.077   0.284 -1.8170  1.9431  1.2292
+ 2380TIP3    H2 8589   1.111   6.030   0.411 -3.5721 -0.5779 -0.6122
+ 2381TIP3   OH2 8590   6.608   4.261   1.377  0.0010 -0.4724  0.1793
+ 2381TIP3    H1 8591   6.591   4.193   1.313 -2.3154  1.7058 -1.5743
+ 2381TIP3    H2 8592   6.524   4.275   1.421  0.4416  1.2623  0.5058
+ 2382TIP3   OH2 8593   5.641   2.455   2.557 -0.1541 -0.3427 -0.0433
+ 2382TIP3    H1 8594   5.644   2.360   2.570  1.8217 -0.2295  0.4773
+ 2382TIP3    H2 8595   5.612   2.490   2.641  0.2439 -0.4160  0.1247
+ 2383TIP3   OH2 8596   6.639   4.767   0.590 -0.0286 -0.6943 -0.0086
+ 2383TIP3    H1 8597   6.645   4.696   0.653  0.6185 -0.3224  0.3496
+ 2383TIP3    H2 8598   6.724   4.768   0.546 -0.3996 -0.8137 -0.7404
+ 2384TIP3   OH2 8599   0.300   5.806   1.186  0.2736 -0.1964  0.0286
+ 2384TIP3    H1 8600   0.378   5.761   1.217  0.7662  0.5823 -0.0659
+ 2384TIP3    H2 8601   0.230   5.741   1.192  1.0769 -1.1265 -0.5939
+ 2385TIP3   OH2 8602   1.904   0.670   2.502 -0.0271  0.0022  0.7434
+ 2385TIP3    H1 8603   1.821   0.657   2.548 -1.3660  0.1325 -1.5314
+ 2385TIP3    H2 8604   1.917   0.764   2.499 -0.7234  0.0772 -0.4120
+ 2386TIP3   OH2 8605   0.716   4.998   1.544 -0.2888  0.3729 -0.3083
+ 2386TIP3    H1 8606   0.696   5.090   1.528 -0.5997  0.1293 -1.3498
+ 2386TIP3    H2 8607   0.799   4.999   1.590 -0.0918  1.1583 -0.6790
+ 2387TIP3   OH2 8608   6.555   5.954   0.277 -0.5843  0.1827  0.2333
+ 2387TIP3    H1 8609   6.518   5.986   0.359  1.5847 -0.4724  1.5141
+ 2387TIP3    H2 8610   6.588   5.867   0.298 -1.6242 -0.7302 -1.8247
+ 2388TIP3   OH2 8611   1.635   5.829   3.643  0.2125  0.4835  0.1877
+ 2388TIP3    H1 8612   1.548   5.844   3.608  0.4561  5.0522  1.2419
+ 2388TIP3    H2 8613   1.690   5.815   3.567 -1.4562 -3.1074 -0.4626
+ 2389TIP3   OH2 8614   1.107   4.103   0.529  0.1051 -0.1318  0.7149
+ 2389TIP3    H1 8615   1.152   4.187   0.537  1.8384 -1.0339  0.6215
+ 2389TIP3    H2 8616   1.176   4.037   0.538 -0.6830 -1.5214 -2.7509
+ 2390TIP3   OH2 8617   4.266   5.231   0.872  0.4530  0.1666  0.5929
+ 2390TIP3    H1 8618   4.241   5.158   0.929 -0.0515  1.0887  1.5630
+ 2390TIP3    H2 8619   4.309   5.293   0.930  1.8240  0.1973 -0.4209
+ 2391TIP3   OH2 8620   1.855   5.084   0.520  0.2061 -0.4646  0.8583
+ 2391TIP3    H1 8621   1.860   5.156   0.458 -1.2272 -1.3580 -0.3340
+ 2391TIP3    H2 8622   1.848   5.126   0.606 -0.6960  0.8261  0.1729
+ 2392TIP3   OH2 8623   5.468   4.169   1.340  0.1356 -0.0057  0.3432
+ 2392TIP3    H1 8624   5.392   4.160   1.281 -0.9995  0.6710  1.6733
+ 2392TIP3    H2 8625   5.543   4.147   1.285 -1.2027 -2.7984 -0.4473
+ 2393TIP3   OH2 8626   5.664   6.448   1.633 -0.5732 -0.1988  0.0548
+ 2393TIP3    H1 8627   5.617   6.519   1.679 -1.0134 -0.4384 -0.0188
+ 2393TIP3    H2 8628   5.623   6.368   1.666  0.6409 -0.4714  0.9379
+ 2394TIP3   OH2 8629   6.594   6.385   0.828 -0.0799 -0.0918  0.0252
+ 2394TIP3    H1 8630   6.529   6.349   0.768  0.1432 -0.0017 -0.2662
+ 2394TIP3    H2 8631   6.637   6.455   0.779 -0.7907  0.8635  0.7116
+ 2395TIP3   OH2 8632   0.612   3.581   6.478  0.1604 -0.3098  0.1932
+ 2395TIP3    H1 8633   0.707   3.569   6.478  0.1160 -1.0610  2.7908
+ 2395TIP3    H2 8634   0.585   3.555   6.566 -2.6033 -1.2006 -0.8594
+ 2396TIP3   OH2 8635   5.329   5.387   3.626  0.0283 -0.4088  0.0370
+ 2396TIP3    H1 8636   5.367   5.455   3.571 -0.6148 -0.2610 -0.2274
+ 2396TIP3    H2 8637   5.301   5.319   3.565  0.1475 -0.6586  0.2554
+ 2397TIP3   OH2 8638   0.224   3.630   6.102  0.6766  0.1582 -0.2943
+ 2397TIP3    H1 8639   0.312   3.661   6.123  1.2616 -0.3996 -1.8771
+ 2397TIP3    H2 8640   0.237   3.542   6.068 -0.7179 -0.7821  1.5414
+ 2398TIP3   OH2 8641   0.148   4.954   2.829 -0.6522  0.2537  0.4139
+ 2398TIP3    H1 8642   0.211   4.985   2.895 -1.8231  0.4278  1.4567
+ 2398TIP3    H2 8643   0.065   4.992   2.855 -1.1686  0.2207 -1.1104
+ 2399TIP3   OH2 8644   5.609   5.447   2.411 -0.3485  0.7219 -0.0261
+ 2399TIP3    H1 8645   5.582   5.414   2.326  1.5375 -0.2955 -0.2719
+ 2399TIP3    H2 8646   5.687   5.396   2.432 -0.4359  1.3982  2.0276
+ 2400TIP3   OH2 8647   6.727   3.845   3.044  0.6502 -0.2648 -0.1184
+ 2400TIP3    H1 8648   6.775   3.927   3.030  0.4736 -0.4542 -1.9494
+ 2400TIP3    H2 8649   6.741   3.825   3.136  1.7620  1.1553  0.0449
+ 2401TIP3   OH2 8650   6.246   3.099   0.886 -0.0942 -0.1744  0.4999
+ 2401TIP3    H1 8651   6.324   3.103   0.942 -0.7025 -1.3723  1.4750
+ 2401TIP3    H2 8652   6.271   3.041   0.815  0.3464  0.5314  0.0741
+ 2402TIP3   OH2 8653   1.078   3.091   6.212 -0.5826 -0.0132 -0.1102
+ 2402TIP3    H1 8654   1.003   3.148   6.223 -1.7348 -1.6989  0.9684
+ 2402TIP3    H2 8655   1.085   3.078   6.118  0.2035  2.5220 -0.4390
+ 2403TIP3   OH2 8656   4.925   5.744   6.503  0.2654  0.1254  0.1643
+ 2403TIP3    H1 8657   4.891   5.654   6.495 -0.2699  0.3316  0.1175
+ 2403TIP3    H2 8658   4.991   5.750   6.434 -0.7512  0.2476 -0.8072
+ 2404TIP3   OH2 8659   5.802   4.505   2.934 -0.6665  0.5414  0.6842
+ 2404TIP3    H1 8660   5.746   4.434   2.900  1.7325 -0.2069 -1.9021
+ 2404TIP3    H2 8661   5.886   4.463   2.951  0.1428  2.3516  1.2776
+ 2405TIP3   OH2 8662   6.345   2.912   0.690  0.0844  0.7149 -0.0429
+ 2405TIP3    H1 8663   6.306   2.922   0.603  0.1411 -1.5138 -0.3534
+ 2405TIP3    H2 8664   6.434   2.882   0.673 -0.0607 -0.2036  0.7763
+ 2406TIP3   OH2 8665   0.594   3.297   5.672 -0.2074  0.1716 -0.1109
+ 2406TIP3    H1 8666   0.627   3.292   5.762  2.4368 -0.9714 -1.1174
+ 2406TIP3    H2 8667   0.500   3.280   5.681  0.4064 -2.3675  2.1973
+ 2407TIP3   OH2 8668   1.167   4.279   0.122  0.2210 -0.6842  0.0033
+ 2407TIP3    H1 8669   1.243   4.248   0.172 -0.4510 -1.8769  0.2910
+ 2407TIP3    H2 8670   1.190   4.262   0.030  0.7857  0.0397  0.0034
+ 2408TIP3   OH2 8671   6.316   4.302   1.247  0.3631  0.5876 -0.0560
+ 2408TIP3    H1 8672   6.322   4.323   1.340 -0.7292 -0.5786  0.2936
+ 2408TIP3    H2 8673   6.378   4.230   1.234  0.3812  0.6277 -0.2040
+ 2409TIP3   OH2 8674   4.949   2.822   5.615  0.2313 -0.5068 -0.1264
+ 2409TIP3    H1 8675   4.859   2.801   5.590  0.0397  1.8743 -1.5683
+ 2409TIP3    H2 8676   4.991   2.848   5.533  2.0415 -0.8952  0.6611
+ 2410TIP3   OH2 8677   6.118   4.949   1.176  0.3737  0.2731  0.2668
+ 2410TIP3    H1 8678   6.164   4.884   1.228 -0.2152 -1.5817 -1.4409
+ 2410TIP3    H2 8679   6.030   4.912   1.164 -0.7475  2.5120  1.2625
+ 2411TIP3   OH2 8680   4.630   5.170   6.834  0.1633  0.2006 -1.0680
+ 2411TIP3    H1 8681   4.707   5.193   6.783  0.4780 -1.2479 -1.2629
+ 2411TIP3    H2 8682   4.569   5.132   6.770 -1.3128  2.6345 -1.1908
+ 2412TIP3   OH2 8683   6.573   5.643   1.951 -0.6598  0.0030 -0.7171
+ 2412TIP3    H1 8684   6.550   5.722   2.000  0.6446  1.1271 -1.8562
+ 2412TIP3    H2 8685   6.520   5.648   1.872 -2.2728 -1.4677  0.2430
+ 2413TIP3   OH2 8686   2.769   4.638   0.327  0.1392 -0.3973 -0.5402
+ 2413TIP3    H1 8687   2.761   4.703   0.397  1.7873  0.1507 -0.8282
+ 2413TIP3    H2 8688   2.738   4.684   0.249  1.1476  0.0153 -0.7128
+ 2414TIP3   OH2 8689   0.141   3.451   0.688 -0.2333 -0.3849 -0.6517
+ 2414TIP3    H1 8690   0.184   3.406   0.761 -0.2524 -0.4821 -0.7014
+ 2414TIP3    H2 8691   0.212   3.477   0.630 -0.2363 -0.4847 -0.6992
+ 2415TIP3   OH2 8692   0.982   6.597   6.573  0.1419 -0.1000 -0.0766
+ 2415TIP3    H1 8693   0.933   6.620   6.494 -1.5982  1.4052  1.3663
+ 2415TIP3    H2 8694   1.054   6.660   6.576  0.7268 -0.7281 -0.9215
+ 2416TIP3   OH2 8695   5.757   2.229   0.732 -0.3783 -0.6211 -0.2457
+ 2416TIP3    H1 8696   5.665   2.217   0.712 -0.3414  0.1114 -0.8587
+ 2416TIP3    H2 8697   5.759   2.261   0.822 -0.6283 -2.2535  0.3583
+ 2417TIP3   OH2 8698   6.870   3.513   2.190  0.2817  0.0398 -0.6195
+ 2417TIP3    H1 8699   6.856   3.547   2.102 -0.1795 -1.1062 -0.9966
+ 2417TIP3    H2 8700   6.789   3.467   2.211  0.7997 -0.6067 -0.0255
+ 2418TIP3   OH2 8701   5.610   5.324   1.352 -0.0500  0.2340  0.7504
+ 2418TIP3    H1 8702   5.586   5.276   1.272  1.4085  1.6284 -0.5557
+ 2418TIP3    H2 8703   5.704   5.312   1.360  0.1249  1.7623  1.1488
+ 2419TIP3   OH2 8704   6.601   5.151   2.075 -0.0981  0.2624  0.0467
+ 2419TIP3    H1 8705   6.528   5.092   2.092  0.1787  0.5407  2.3934
+ 2419TIP3    H2 8706   6.569   5.237   2.103  0.0700  0.9621 -1.8252
+ 2420TIP3   OH2 8707   5.705   4.668   2.111  0.0886 -0.6917 -0.0325
+ 2420TIP3    H1 8708   5.790   4.644   2.074  0.3701 -0.1721  0.2803
+ 2420TIP3    H2 8709   5.650   4.591   2.095  0.6204 -1.0354 -0.2238
+ 2421TIP3   OH2 8710   6.261   2.263   0.129 -0.1118 -0.0273  0.5069
+ 2421TIP3    H1 8711   6.332   2.226   0.181 -0.6663 -0.2828  1.0890
+ 2421TIP3    H2 8712   6.265   2.357   0.145 -0.8243 -0.1900  1.7150
+ 2422TIP3   OH2 8713   6.153   6.310   1.886  0.1839 -0.2740  0.1246
+ 2422TIP3    H1 8714   6.233   6.285   1.840  0.2868  3.4923 -2.0014
+ 2422TIP3    H2 8715   6.097   6.349   1.818 -1.9676  0.4389  2.2186
+ 2423TIP3   OH2 8716   6.368   3.622   0.608  0.3152 -0.2832  0.1612
+ 2423TIP3    H1 8717   6.408   3.589   0.688  0.6559  1.5296  0.7711
+ 2423TIP3    H2 8718   6.306   3.553   0.581  0.4323 -1.0440  1.7995
+ 2424TIP3   OH2 8719   0.114   3.200   0.819 -0.2632 -0.4162 -0.1793
+ 2424TIP3    H1 8720   0.148   3.134   0.759 -1.7705 -1.1063 -0.2968
+ 2424TIP3    H2 8721   0.029   3.166   0.847 -0.3191  0.6855  1.0628
+ 2425TIP3   OH2 8722   5.377   5.992   3.160  0.5844  0.4377  0.3068
+ 2425TIP3    H1 8723   5.408   6.032   3.078  1.5280  2.2491  1.5157
+ 2425TIP3    H2 8724   5.456   5.955   3.199  0.2766  0.3336  0.8258
+ 2426TIP3   OH2 8725   6.868   4.864   1.671  0.1068 -0.0403  0.0661
+ 2426TIP3    H1 8726   6.811   4.897   1.740  1.2753 -0.3507  1.2014
+ 2426TIP3    H2 8727   6.893   4.941   1.621 -0.0203  0.3130  0.5443
+ 2427TIP3   OH2 8728   6.418   5.242   6.789  0.4944  0.3607 -0.2854
+ 2427TIP3    H1 8729   6.393   5.288   6.709  0.9046  1.0989  0.0143
+ 2427TIP3    H2 8730   6.462   5.308   6.843 -1.3938  0.3340  1.3293
+ 2428TIP3   OH2 8731   0.515   5.077   1.208  0.3389 -0.7003 -0.2416
+ 2428TIP3    H1 8732   0.512   5.172   1.219 -0.8191 -1.0555  2.8854
+ 2428TIP3    H2 8733   0.440   5.057   1.152 -0.3580  0.0945  0.3971
+ 2429TIP3   OH2 8734   3.862   6.800   6.350  0.6652  0.0490  0.1073
+ 2429TIP3    H1 8735   3.952   6.816   6.321  1.0770 -1.3686  0.5468
+ 2429TIP3    H2 8736   3.830   6.731   6.292  0.1274  0.0142  0.4420
+ 2430TIP3   OH2 8737   0.508   4.308   0.400  0.3305  0.2927 -0.7290
+ 2430TIP3    H1 8738   0.519   4.270   0.487 -0.1525 -0.2771 -0.9220
+ 2430TIP3    H2 8739   0.456   4.387   0.414 -0.7494 -0.4312 -0.6591
+ 2431TIP3   OH2 8740   0.039   3.752   6.280  0.3745  0.0462  0.3382
+ 2431TIP3    H1 8741  -0.015   3.674   6.286  0.7544 -0.1880  0.7319
+ 2431TIP3    H2 8742   0.123   3.722   6.245  0.5078  0.2822  0.4493
+ 2432TIP3   OH2 8743   0.228   4.307   6.895  0.0575 -0.1290 -0.4964
+ 2432TIP3    H1 8744   0.259   4.264   6.815 -0.3887 -0.4234 -0.5152
+ 2432TIP3    H2 8745   0.306   4.348   6.933  0.2713  0.0171 -1.0857
+ 2433TIP3   OH2 8746   6.870   6.372   2.632 -0.2204 -0.2823 -0.0146
+ 2433TIP3    H1 8747   6.854   6.374   2.538 -0.0456  0.2764 -0.0371
+ 2433TIP3    H2 8748   6.826   6.293   2.663  0.4503 -0.9324 -0.7024
+ 2434TIP3   OH2 8749   5.550   6.285   0.666 -0.1205 -0.2926 -0.6353
+ 2434TIP3    H1 8750   5.572   6.326   0.582 -1.7341 -1.2256 -1.5428
+ 2434TIP3    H2 8751   5.454   6.280   0.665 -0.2637  1.1620  1.9972
+ 2435TIP3   OH2 8752   1.321   4.470   1.638  0.5472 -0.2381 -0.0050
+ 2435TIP3    H1 8753   1.227   4.477   1.654  0.6360 -0.1427  0.4725
+ 2435TIP3    H2 8754   1.337   4.377   1.628  0.3382 -0.2279 -0.4932
+ 2436TIP3   OH2 8755   6.049   4.961   0.529 -0.0213 -0.0113  0.7539
+ 2436TIP3    H1 8756   5.975   5.015   0.556 -1.0856 -0.2398 -1.5794
+ 2436TIP3    H2 8757   6.118   5.024   0.506 -0.4993  0.3055  0.1735
+ 2437TIP3   OH2 8758   4.723   3.752   4.595 -0.1320  0.0302 -0.1397
+ 2437TIP3    H1 8759   4.691   3.830   4.642  2.3904  0.7061  0.5074
+ 2437TIP3    H2 8760   4.672   3.751   4.514  1.0650  3.4446 -1.0195
+ 2438TIP3   OH2 8761   0.532   4.127   6.204  0.1556  0.1050 -0.5352
+ 2438TIP3    H1 8762   0.503   4.101   6.291  0.2569  0.6394 -0.3439
+ 2438TIP3    H2 8763   0.607   4.071   6.187  0.4256  0.3276 -0.0859
+ 2439TIP3   OH2 8764   6.500   5.367   0.114  0.1393  0.3271 -0.5131
+ 2439TIP3    H1 8765   6.427   5.334   0.167  0.2503  1.8502  0.6157
+ 2439TIP3    H2 8766   6.468   5.451   0.079  0.7959  0.2751 -1.2477
+ 2440TIP3   OH2 8767   6.705   5.721   0.304 -0.0749  0.5495 -0.3477
+ 2440TIP3    H1 8768   6.643   5.707   0.376 -1.3323  0.5722 -1.4159
+ 2440TIP3    H2 8769   6.717   5.635   0.265 -1.2030  0.9388 -1.5685
+ 2441TIP3   OH2 8770   0.631   3.426   2.358  0.2876  0.1788  0.0951
+ 2441TIP3    H1 8771   0.710   3.414   2.410 -0.6649 -1.5081  1.2207
+ 2441TIP3    H2 8772   0.652   3.389   2.273  1.0293  0.6549  0.0677
+ 2442TIP3   OH2 8773   6.476   3.120   1.488 -0.2750  0.2715  0.6030
+ 2442TIP3    H1 8774   6.474   3.143   1.581 -0.9754 -0.8715  0.8871
+ 2442TIP3    H2 8775   6.484   3.024   1.488 -0.0294  0.2857 -0.5131
+ 2443TIP3   OH2 8776   6.854   5.126   2.893 -0.7035 -0.7125  0.3049
+ 2443TIP3    H1 8777   6.766   5.090   2.890 -0.7648 -0.5822  0.5116
+ 2443TIP3    H2 8778   6.877   5.125   2.986 -1.1463  0.8454  0.4415
+ 2444TIP3   OH2 8779   2.069   3.941   0.999  0.9801 -0.1755 -0.2010
+ 2444TIP3    H1 8780   2.098   3.893   0.921 -0.3183 -0.5487 -0.4587
+ 2444TIP3    H2 8781   2.102   3.889   1.072 -0.8075 -1.7582 -0.4679
+ 2445TIP3   OH2 8782   2.361   3.548   6.556 -0.1519  0.2182  0.6957
+ 2445TIP3    H1 8783   2.448   3.515   6.580 -0.4365 -0.4711  0.7903
+ 2445TIP3    H2 8784   2.311   3.469   6.535 -1.1244  0.5155  1.8499
+ 2446TIP3   OH2 8785   6.061   4.292   1.118  0.0591 -0.4463 -0.2484
+ 2446TIP3    H1 8786   6.144   4.325   1.153  0.7720 -2.0375 -0.3925
+ 2446TIP3    H2 8787   6.026   4.235   1.187 -0.5158 -0.4038 -0.4996
+ 2447TIP3   OH2 8788   4.049   4.232   0.711  0.2028 -0.4561  0.2162
+ 2447TIP3    H1 8789   4.015   4.177   0.783  0.4210  1.1306  1.5496
+ 2447TIP3    H2 8790   4.084   4.309   0.754  2.1883 -0.3810 -1.4684
+ 2448TIP3   OH2 8791   4.296   3.572   0.565 -0.4177 -1.2199  0.2492
+ 2448TIP3    H1 8792   4.236   3.503   0.595 -0.9522 -0.7733  0.2117
+ 2448TIP3    H2 8793   4.311   3.553   0.473 -1.3816 -0.6968 -0.0212
+ 2449TIP3   OH2 8794   6.132   4.576   6.195  0.6061 -0.0950  0.3142
+ 2449TIP3    H1 8795   6.198   4.632   6.237 -0.5491 -0.8677  3.2939
+ 2449TIP3    H2 8796   6.115   4.507   6.259 -2.8419 -0.1114 -0.5216
+ 2450TIP3   OH2 8797   0.151   3.957   0.256 -0.2382 -0.1879 -0.0609
+ 2450TIP3    H1 8798   0.209   4.006   0.314  1.2364  0.0634 -1.6826
+ 2450TIP3    H2 8799   0.098   3.903   0.314  1.4785 -0.2478  1.4966
+ 2451TIP3   OH2 8800   2.334   0.576   1.423  0.1973  0.5236  0.3942
+ 2451TIP3    H1 8801   2.373   0.579   1.336 -1.9420  1.0390 -0.5686
+ 2451TIP3    H2 8802   2.305   0.666   1.439 -0.8395  0.0849  0.9812
+ 2452TIP3   OH2 8803   5.066   5.785   4.804  0.2830 -0.4814  0.2390
+ 2452TIP3    H1 8804   5.156   5.801   4.777  0.4602 -1.0473  0.4672
+ 2452TIP3    H2 8805   5.036   5.869   4.838  0.6605 -0.2388 -0.0189
+ 2453TIP3   OH2 8806   5.750   5.400   2.752 -0.1445 -0.2441  0.7843
+ 2453TIP3    H1 8807   5.784   5.488   2.735  0.0734 -0.3444  0.6984
+ 2453TIP3    H2 8808   5.678   5.389   2.690  1.0938 -0.8738 -0.5719
+ 2454TIP3   OH2 8809   5.892   2.037   0.021 -0.2798  0.2996  0.1192
+ 2454TIP3    H1 8810   5.871   1.974   0.090  0.3314 -0.2922 -0.2284
+ 2454TIP3    H2 8811   5.971   2.002  -0.020 -0.3986  0.8693 -0.6046
+ 2455TIP3   OH2 8812   0.736   5.281   1.490 -0.0196 -0.1251 -0.1180
+ 2455TIP3    H1 8813   0.770   5.348   1.430 -0.8910  0.0624 -0.4080
+ 2455TIP3    H2 8814   0.722   5.328   1.572  2.2122 -0.6234  0.5672
+ 2456TIP3   OH2 8815   4.435   0.798   6.433 -1.3650  0.1025 -0.3822
+ 2456TIP3    H1 8816   4.342   0.778   6.442 -1.0248 -0.5785  1.8602
+ 2456TIP3    H2 8817   4.441   0.893   6.445 -1.7518  0.1402 -0.4918
+ 2457TIP3   OH2 8818   1.056   5.563   1.490 -0.5914 -0.2772 -0.0004
+ 2457TIP3    H1 8819   1.005   5.638   1.459 -0.2298 -0.2452 -0.5168
+ 2457TIP3    H2 8820   1.134   5.602   1.528 -0.7741 -0.3490  0.4537
+ 2458TIP3   OH2 8821   0.332   6.162   5.941 -0.4820  0.8007 -0.8386
+ 2458TIP3    H1 8822   0.284   6.236   5.978  0.4070  1.2970 -0.6709
+ 2458TIP3    H2 8823   0.391   6.133   6.012 -1.4838 -0.6662 -0.5751
+ 2459TIP3   OH2 8824   0.621   3.326   2.098 -0.0268 -0.6289 -0.5543
+ 2459TIP3    H1 8825   0.532   3.357   2.108  0.3258  0.7933 -1.7998
+ 2459TIP3    H2 8826   0.612   3.237   2.063 -0.9395 -0.4100 -0.8699
+ 2460TIP3   OH2 8827   0.552   5.019   0.264 -0.2636  0.1407  0.2887
+ 2460TIP3    H1 8828   0.567   4.936   0.309  1.8976  0.6368  0.5098
+ 2460TIP3    H2 8829   0.531   4.994   0.174  0.6537 -0.6357  0.2878
+ 2461TIP3   OH2 8830   0.424   3.407   1.693 -0.0641 -0.0746 -0.5056
+ 2461TIP3    H1 8831   0.451   3.496   1.714  1.3790 -0.8272  0.9711
+ 2461TIP3    H2 8832   0.504   3.362   1.666 -0.7367 -0.9770 -1.0467
+ 2462TIP3   OH2 8833   6.215   6.810   4.700 -0.0692 -0.0551 -0.1737
+ 2462TIP3    H1 8834   6.228   6.716   4.690 -0.8157 -0.2732  0.8080
+ 2462TIP3    H2 8835   6.303   6.848   4.693  0.5371 -1.0481  1.7033
+ 2463TIP3   OH2 8836   5.165   3.829   2.033  0.4028 -0.4957  0.2671
+ 2463TIP3    H1 8837   5.236   3.772   2.064 -0.2159 -0.5744  1.5727
+ 2463TIP3    H2 8838   5.089   3.771   2.026  1.1638 -1.1960 -4.3723
+ 2464TIP3   OH2 8839   0.297   4.974   1.051  0.2145  0.5789 -0.1870
+ 2464TIP3    H1 8840   0.298   4.978   0.955 -0.3610 -0.0799 -0.2225
+ 2464TIP3    H2 8841   0.213   5.013   1.076 -0.8345 -1.6291 -0.0839
+ 2465TIP3   OH2 8842   5.427   5.061   2.340 -0.5958  0.7744  0.0581
+ 2465TIP3    H1 8843   5.338   5.055   2.376 -0.4028  0.0796  0.4401
+ 2465TIP3    H2 8844   5.429   4.997   2.269 -0.5002  1.0288 -0.1707
+ 2466TIP3   OH2 8845   6.391   5.485   3.848  0.4519  0.0156  0.1463
+ 2466TIP3    H1 8846   6.417   5.395   3.831  1.0187  0.2950 -0.4869
+ 2466TIP3    H2 8847   6.453   5.538   3.797  1.3912  0.8444  2.1147
+ 2467TIP3   OH2 8848   0.298   4.296   1.757 -0.1955 -0.6023  0.5827
+ 2467TIP3    H1 8849   0.230   4.229   1.748 -1.0025  0.1074  1.3155
+ 2467TIP3    H2 8850   0.338   4.301   1.670 -0.3939 -1.7434  0.4115
+ 2468TIP3   OH2 8851   5.158   4.548   0.732  0.4423 -0.2437  0.2217
+ 2468TIP3    H1 8852   5.091   4.498   0.685  1.5016 -1.9189  0.4512
+ 2468TIP3    H2 8853   5.132   4.639   0.721 -1.1618 -0.8026 -0.7886
+ 2469TIP3   OH2 8854   4.807   2.284   1.482 -0.1518 -0.0174  0.5213
+ 2469TIP3    H1 8855   4.836   2.283   1.573 -0.8680  0.7405  0.7579
+ 2469TIP3    H2 8856   4.749   2.208   1.474 -0.2746  0.0503  0.7615
+ 2470TIP3   OH2 8857   6.124   3.510   0.962 -0.3081 -0.1107 -0.1582
+ 2470TIP3    H1 8858   6.156   3.594   0.930  0.5260 -0.5533 -0.4860
+ 2470TIP3    H2 8859   6.192   3.480   1.022 -0.8851 -0.2710  0.4162
+ 2471TIP3   OH2 8860   4.862   4.291   1.825 -0.6570  0.4155  0.1206
+ 2471TIP3    H1 8861   4.952   4.320   1.837 -0.9419  1.1273  0.5400
+ 2471TIP3    H2 8862   4.870   4.206   1.782  0.2177  0.3962  0.3157
+ 2472TIP3   OH2 8863   5.203   5.438   5.462  0.2497 -0.4051 -0.2608
+ 2472TIP3    H1 8864   5.212   5.368   5.397 -0.1659 -2.1954  1.5732
+ 2472TIP3    H2 8865   5.112   5.465   5.457 -0.0705 -1.3458  0.3609
+ 2473TIP3   OH2 8866   0.152   2.397   6.298 -0.2483  0.2804  0.0553
+ 2473TIP3    H1 8867   0.169   2.427   6.388  2.6654 -1.5721  0.1927
+ 2473TIP3    H2 8868   0.203   2.317   6.290 -0.5616  0.3525 -3.2438
+ 2474TIP3   OH2 8869   4.544   5.099   0.638 -0.0003  0.2297  0.2711
+ 2474TIP3    H1 8870   4.471   5.160   0.632  0.5659  0.8361 -0.4790
+ 2474TIP3    H2 8871   4.607   5.129   0.573  0.5016 -0.8590  0.2317
+ 2475TIP3   OH2 8872   0.302   4.090   0.435 -0.1847  0.4434 -0.3338
+ 2475TIP3    H1 8873   0.257   4.124   0.513 -0.7301  1.0455 -0.8989
+ 2475TIP3    H2 8874   0.348   4.166   0.400  1.1308 -0.1201  0.1178
+ 2476TIP3   OH2 8875   4.925   4.059   1.709 -0.6303  0.1402  0.3846
+ 2476TIP3    H1 8876   5.015   4.043   1.736 -1.0660 -0.9780  1.2143
+ 2476TIP3    H2 8877   4.889   3.972   1.693 -1.1552  0.6464 -1.3083
+ 2477TIP3   OH2 8878   6.157   2.569   3.353 -0.5185  0.3942 -0.1736
+ 2477TIP3    H1 8879   6.214   2.645   3.345  0.9329 -0.7224 -0.6088
+ 2477TIP3    H2 8880   6.071   2.601   3.327  0.6391  1.1964 -3.2520
+ 2478TIP3   OH2 8881   0.114   3.444   6.613 -0.3867 -0.3091  0.3892
+ 2478TIP3    H1 8882   0.200   3.464   6.649 -0.3940  0.5023 -0.0381
+ 2478TIP3    H2 8883   0.059   3.519   6.636 -0.0649  0.8584 -2.3717
+ 2479TIP3   OH2 8884   5.844   2.915   4.155 -0.2216 -0.0979 -0.3133
+ 2479TIP3    H1 8885   5.868   3.002   4.186 -2.4384 -0.2857  2.1024
+ 2479TIP3    H2 8886   5.781   2.930   4.085 -0.6516  0.2532  0.1492
+ 2480TIP3   OH2 8887   3.642   1.963   1.745 -0.4601 -0.1221 -0.3179
+ 2480TIP3    H1 8888   3.729   1.931   1.721 -0.7617 -0.7666 -0.5589
+ 2480TIP3    H2 8889   3.606   1.895   1.801 -0.9321  0.0028 -0.4661
+ 2481TIP3   OH2 8890   5.388   5.227   3.081 -0.1517  0.3938  0.1334
+ 2481TIP3    H1 8891   5.407   5.142   3.122 -0.2397  0.3506  0.0838
+ 2481TIP3    H2 8892   5.408   5.291   3.150  0.5097  0.3705 -0.0281
+ 2482TIP3   OH2 8893   4.828   5.721   1.072 -0.0100 -0.7430 -0.0818
+ 2482TIP3    H1 8894   4.881   5.799   1.087 -2.5874  0.8241  1.3074
+ 2482TIP3    H2 8895   4.813   5.686   1.160 -1.9863 -0.6113 -0.3427
+ 2483TIP3   OH2 8896   1.032   6.461   1.063  0.0859 -0.0474  0.3901
+ 2483TIP3    H1 8897   1.000   6.468   0.973 -1.2756  1.3544  0.9595
+ 2483TIP3    H2 8898   0.967   6.407   1.107  0.2499  0.0649  0.7664
+ 2484TIP3   OH2 8899   2.201   3.672   1.933  0.1015  0.7681  0.1721
+ 2484TIP3    H1 8900   2.278   3.694   1.985  0.9547  1.0062 -1.1718
+ 2484TIP3    H2 8901   2.234   3.656   1.845 -1.0886 -1.4922  0.0917
+ 2485TIP3   OH2 8902   5.882   0.105   2.443 -0.4900 -0.0612  0.4306
+ 2485TIP3    H1 8903   5.957   0.067   2.489  0.0601  1.2237  0.6258
+ 2485TIP3    H2 8904   5.820   0.126   2.513 -0.5774 -0.1244  0.3725
+ 2486TIP3   OH2 8905   6.064   4.574   1.295 -0.2407 -0.3273  0.1606
+ 2486TIP3    H1 8906   6.104   4.575   1.208 -0.8994 -0.3820 -0.1444
+ 2486TIP3    H2 8907   6.100   4.651   1.339  0.6344 -0.6900  0.0891
+ 2487TIP3   OH2 8908   1.672   5.954   6.766 -0.0097 -0.1722 -0.0280
+ 2487TIP3    H1 8909   1.583   5.927   6.791 -0.1736  0.3441 -0.0276
+ 2487TIP3    H2 8910   1.665   6.049   6.757  1.1928  0.2253  2.7530
+ 2488TIP3   OH2 8911   0.566   6.162   0.060 -0.6386  0.1249 -0.1469
+ 2488TIP3    H1 8912   0.604   6.125  -0.020  0.0994  3.0097 -1.2114
+ 2488TIP3    H2 8913   0.480   6.193   0.034 -1.1845 -0.6697  0.6838
+ 2489TIP3   OH2 8914   6.552   5.802   0.959 -0.0342  0.1140 -0.4986
+ 2489TIP3    H1 8915   6.466   5.762   0.967 -0.1391  0.4164 -0.1360
+ 2489TIP3    H2 8916   6.609   5.730   0.931  0.1486 -0.7163  1.9335
+ 2490TIP3   OH2 8917   6.213   3.765   0.887  0.4204  0.0845  0.1811
+ 2490TIP3    H1 8918   6.158   3.822   0.939  0.5321 -0.2738  0.7028
+ 2490TIP3    H2 8919   6.297   3.763   0.934  0.0439 -1.4341  0.8114
+ 2491TIP3   OH2 8920   0.375   4.158   2.902  0.4411 -0.0916  0.0022
+ 2491TIP3    H1 8921   0.431   4.097   2.950 -0.0163 -0.3691  0.1871
+ 2491TIP3    H2 8922   0.410   4.159   2.813  1.6284  0.8324  0.4582
+ 2492TIP3   OH2 8923   6.617   3.415   0.500  0.2565 -0.2205  0.0226
+ 2492TIP3    H1 8924   6.698   3.364   0.492  1.5808  1.6458  1.2163
+ 2492TIP3    H2 8925   6.646   3.504   0.518 -2.0759  0.5230  0.2831
+ 2493TIP3   OH2 8926   5.762   5.260   2.066 -0.2053 -0.0862 -0.1007
+ 2493TIP3    H1 8927   5.855   5.279   2.084 -0.1482 -1.7321  1.4483
+ 2493TIP3    H2 8928   5.755   5.165   2.076 -2.2988  0.1538  0.8940
+ 2494TIP3   OH2 8929   0.340   3.654   1.323 -0.3446 -0.8224 -0.1775
+ 2494TIP3    H1 8930   0.302   3.571   1.352 -0.8987 -0.5206 -0.0300
+ 2494TIP3    H2 8931   0.276   3.690   1.261  1.0524 -1.6929 -2.1661
+ 2495TIP3   OH2 8932   4.585   4.889   0.316 -0.1526 -0.4138 -0.6277
+ 2495TIP3    H1 8933   4.510   4.881   0.375  1.5508 -1.3736  1.4679
+ 2495TIP3    H2 8934   4.575   4.975   0.276 -2.2164 -0.4156 -0.1787
+ 2496TIP3   OH2 8935   1.371   3.853   0.222  0.4228  0.3537  0.2776
+ 2496TIP3    H1 8936   1.400   3.877   0.134  0.5939  0.4434  0.3574
+ 2496TIP3    H2 8937   1.277   3.871   0.222  0.5970  1.3038  0.4232
+ 2497TIP3   OH2 8938   0.691   5.317   0.335  0.8369 -0.4283 -0.1531
+ 2497TIP3    H1 8939   0.646   5.233   0.327  1.7226 -0.8283 -1.1930
+ 2497TIP3    H2 8940   0.684   5.356   0.248 -0.3058  0.9728  0.5498
+ 2498TIP3   OH2 8941   6.496   4.258   6.730  0.2935 -0.4719  0.0191
+ 2498TIP3    H1 8942   6.531   4.170   6.744  0.3290 -0.3171  0.9088
+ 2498TIP3    H2 8943   6.402   4.249   6.746  0.4340 -0.1463  1.0670
+ 2499TIP3   OH2 8944   0.859   3.110   1.297 -0.8083 -0.0059 -0.5133
+ 2499TIP3    H1 8945   0.849   3.102   1.392  1.7532  0.5470 -0.1585
+ 2499TIP3    H2 8946   0.952   3.133   1.285 -1.0962 -0.1432 -3.1482
+ 2500TIP3   OH2 8947   0.786   4.349   1.629 -0.3439 -0.0481 -0.3010
+ 2500TIP3    H1 8948   0.778   4.269   1.681 -1.9036  0.0603 -0.3618
+ 2500TIP3    H2 8949   0.718   4.407   1.663  1.5978  1.7642  0.6046
+ 2501TIP3   OH2 8950   0.139   4.129   4.900  0.6032  1.0256 -0.0565
+ 2501TIP3    H1 8951   0.064   4.188   4.902  0.7769  1.3471 -2.0038
+ 2501TIP3    H2 8952   0.202   4.172   4.842  2.2066  0.6484  1.3787
+ 2502TIP3   OH2 8953   1.072   4.972   1.257 -0.4481  0.1690  0.0806
+ 2502TIP3    H1 8954   1.046   4.907   1.192 -0.4204  1.0262 -0.7886
+ 2502TIP3    H2 8955   1.032   5.054   1.227  1.9947  1.2020 -0.4897
+ 2503TIP3   OH2 8956   6.829   6.312   1.664  0.0305 -0.4473  0.3454
+ 2503TIP3    H1 8957   6.840   6.389   1.719 -0.9492 -0.2395  0.2712
+ 2503TIP3    H2 8958   6.736   6.313   1.640  0.5164 -0.3134 -1.6345
+ 2504TIP3   OH2 8959   6.506   5.914   4.159  0.2248 -0.0607 -0.2608
+ 2504TIP3    H1 8960   6.479   5.995   4.117 -1.2145  0.2941  1.2896
+ 2504TIP3    H2 8961   6.468   5.845   4.105  2.2252  0.2452 -2.1050
+ 2505TIP3   OH2 8962   1.707   6.697   0.638 -0.1225 -0.3224 -0.6190
+ 2505TIP3    H1 8963   1.751   6.676   0.556  0.0993 -0.1692 -0.5383
+ 2505TIP3    H2 8964   1.776   6.728   0.696 -0.3210 -0.1621 -0.4658
+ 2506TIP3   OH2 8965   0.001   5.385   1.738 -0.2750  0.4206  0.3052
+ 2506TIP3    H1 8966   0.042   5.308   1.779 -3.2238 -1.7818 -0.7017
+ 2506TIP3    H2 8967   0.021   5.375   1.645 -0.3967  1.0891  0.2069
+ 2507TIP3   OH2 8968   6.858   5.591   0.649 -0.1321  0.4479 -0.0057
+ 2507TIP3    H1 8969   6.778   5.549   0.680  1.3865 -1.0521  2.0543
+ 2507TIP3    H2 8970   6.914   5.518   0.621  1.4692  1.2881  0.9592
+ 2508TIP3   OH2 8971   1.358   6.773   0.807  0.3895  0.4013  0.6411
+ 2508TIP3    H1 8972   1.266   6.793   0.790  0.5972  2.2316  1.5191
+ 2508TIP3    H2 8973   1.404   6.812   0.732  0.4304 -0.7754  0.0510
+ 2509TIP3   OH2 8974   1.967   6.200   2.923 -0.6705 -0.4164  0.4169
+ 2509TIP3    H1 8975   1.907   6.235   2.857  0.0923  0.7234  0.3142
+ 2509TIP3    H2 8976   1.912   6.185   3.000 -1.0731  0.6817  0.3454
+ 2510TIP3   OH2 8977   0.873   0.443   3.116 -0.4356  0.2910  0.0005
+ 2510TIP3    H1 8978   0.936   0.482   3.176 -0.2574 -0.9860  0.6648
+ 2510TIP3    H2 8979   0.923   0.378   3.067 -0.3670  1.9423 -2.2063
+ 2511TIP3   OH2 8980   6.138   0.370   2.341 -0.1762  0.0432  0.0908
+ 2511TIP3    H1 8981   6.126   0.464   2.330  1.4732  0.3792  0.9584
+ 2511TIP3    H2 8982   6.220   0.362   2.389 -1.8424 -1.7336  2.7755
+ 2512TIP3   OH2 8983   0.468   6.729   2.305  0.0659  0.1135 -0.8545
+ 2512TIP3    H1 8984   0.458   6.661   2.372  0.9438  0.4669 -0.3671
+ 2512TIP3    H2 8985   0.458   6.811   2.352  2.0013  0.4053 -0.8913
+ 2513TIP3   OH2 8986   5.160   5.814   3.644  0.4256 -0.0662 -0.4073
+ 2513TIP3    H1 8987   5.179   5.779   3.731  0.6143  1.7379  0.2950
+ 2513TIP3    H2 8988   5.091   5.878   3.658  1.4067  1.2344 -1.3709
+ 2514TIP3   OH2 8989   0.703   6.755   3.787  0.1700 -0.4000 -0.3982
+ 2514TIP3    H1 8990   0.621   6.746   3.836 -0.0095  1.1312 -0.3901
+ 2514TIP3    H2 8991   0.688   6.828   3.727  1.7171  0.2753  0.0028
+ 2515TIP3   OH2 8992   0.540   5.760   1.311 -0.0628  0.1518 -0.2085
+ 2515TIP3    H1 8993   0.615   5.816   1.332  1.1643 -1.9286  1.2035
+ 2515TIP3    H2 8994   0.567   5.673   1.340 -1.9613 -1.1556 -2.2013
+ 2516TIP3   OH2 8995   5.944   6.709   1.614  0.1037 -0.3326  0.3425
+ 2516TIP3    H1 8996   5.879   6.751   1.670  1.3079  1.8611  0.1445
+ 2516TIP3    H2 8997   5.928   6.745   1.527 -0.8218 -2.6389 -0.4971
+ 2517TIP3   OH2 8998   0.389   5.741   1.637 -0.0654  0.1902  0.0041
+ 2517TIP3    H1 8999   0.391   5.649   1.611  1.4587  0.5384 -1.1730
+ 2517TIP3    H2 9000   0.306   5.773   1.602 -1.0696 -0.9789  1.2882
+ 2518TIP3   OH2 9001   2.778   6.483   1.409  0.1712  0.4652  0.0989
+ 2518TIP3    H1 9002   2.771   6.573   1.376  0.9109  0.1196 -1.0318
+ 2518TIP3    H2 9003   2.727   6.431   1.347  0.6780 -0.0469  0.1084
+ 2519TIP3   OH2 9004   0.440   6.526   2.105  0.5799  0.4587  0.5129
+ 2519TIP3    H1 9005   0.475   6.564   2.024  0.6044 -1.8823 -0.5887
+ 2519TIP3    H2 9006   0.451   6.596   2.170  0.1594  2.5402 -1.5634
+ 2520TIP3   OH2 9007   1.178   5.245   2.036  0.0927  0.1934  0.1618
+ 2520TIP3    H1 9008   1.126   5.206   1.966 -1.4935  2.1418  0.2014
+ 2520TIP3    H2 9009   1.211   5.327   1.999  1.9545 -0.3029  0.6421
+ 2521TIP3   OH2 9010   6.523   6.489   1.125  0.0421  0.3667 -0.2515
+ 2521TIP3    H1 9011   6.487   6.565   1.170 -1.3302 -0.0362 -0.6109
+ 2521TIP3    H2 9012   6.460   6.472   1.054 -0.5443 -2.0527  0.7986
+ 2522TIP3   OH2 9013   1.271   5.708   1.617 -0.1519  0.3281 -0.0496
+ 2522TIP3    H1 9014   1.363   5.685   1.602 -0.0252  0.3132  0.7050
+ 2522TIP3    H2 9015   1.258   5.692   1.710 -0.8269  0.6705 -0.0836
+ 2523TIP3   OH2 9016   1.569   1.522   6.911  0.5838 -0.0526  0.5697
+ 2523TIP3    H1 9017   1.553   1.517   6.817 -1.8671 -2.6200  1.0481
+ 2523TIP3    H2 9018   1.627   1.449   6.930  0.6946  0.1755  1.1274
+ 2524TIP3   OH2 9019   1.605   5.284   1.034  0.2785  0.8385  0.2759
+ 2524TIP3    H1 9020   1.631   5.375   1.050  1.1124  0.4514  1.1808
+ 2524TIP3    H2 9021   1.547   5.288   0.958 -0.1890  2.1989  0.7063
+ 2525TIP3   OH2 9022   2.525   0.470   1.925 -0.2911  0.3290 -0.5632
+ 2525TIP3    H1 9023   2.588   0.400   1.909 -1.2842 -0.0458 -2.9813
+ 2525TIP3    H2 9024   2.549   0.538   1.862  0.9984  2.4538  2.1028
+ 2526TIP3   OH2 9025   6.853   5.469   1.410 -0.4030 -0.0009 -0.3621
+ 2526TIP3    H1 9026   6.803   5.550   1.413 -1.4753 -0.5559 -2.4220
+ 2526TIP3    H2 9027   6.807   5.410   1.468  0.2159  0.7513  0.9227
+ 2527TIP3   OH2 9028   5.371   3.645   6.010  0.0464 -0.0368 -0.1233
+ 2527TIP3    H1 9029   5.313   3.709   5.969 -0.4943  1.1597  2.4102
+ 2527TIP3    H2 9030   5.459   3.675   5.987 -0.1335  2.6269  2.3105
+ 2528TIP3   OH2 9031   0.536   1.862   2.092 -0.3417  0.0711 -0.1083
+ 2528TIP3    H1 9032   0.461   1.831   2.041 -0.3455 -1.2043  0.6566
+ 2528TIP3    H2 9033   0.605   1.799   2.073 -0.3651 -0.4621  1.5150
+ 2529TIP3   OH2 9034   1.860   6.005   0.071 -0.0997 -0.4359  0.1937
+ 2529TIP3    H1 9035   1.805   5.946   0.019  0.8048 -0.8365 -0.3190
+ 2529TIP3    H2 9036   1.887   6.073   0.010  0.5947 -0.6607  0.2384
+ 2530TIP3   OH2 9037   5.872   0.670   0.153 -0.2489 -0.0724 -0.2964
+ 2530TIP3    H1 9038   5.829   0.700   0.072  1.7032 -0.1748 -1.3956
+ 2530TIP3    H2 9039   5.799   0.641   0.208 -1.5997 -0.5709 -2.2420
+ 2531TIP3   OH2 9040   2.296   6.024   1.290  0.4223 -0.1236  0.6401
+ 2531TIP3    H1 9041   2.302   6.117   1.310 -0.8937 -0.2475  1.7000
+ 2531TIP3    H2 9042   2.222   5.993   1.343  0.6438 -1.6967  0.0522
+ 2532TIP3   OH2 9043   0.412   6.460   1.516  0.2357 -0.4751 -0.3457
+ 2532TIP3    H1 9044   0.402   6.492   1.427  0.0580 -0.8992 -0.4786
+ 2532TIP3    H2 9045   0.374   6.372   1.515  0.8449 -0.7457 -0.0167
+ 2533TIP3   OH2 9046   0.007   0.216   2.824 -0.4365  0.2375 -0.7608
+ 2533TIP3    H1 9047  -0.008   0.122   2.835 -0.7989  0.4473  0.6076
+ 2533TIP3    H2 9048   0.099   0.228   2.846 -0.7797  0.4273  0.6141
+ 2534TIP3   OH2 9049   1.100   0.102   1.429  0.0602 -0.5392 -0.1429
+ 2534TIP3    H1 9050   1.016   0.059   1.447  0.1428 -0.8963 -0.5905
+ 2534TIP3    H2 9051   1.102   0.178   1.487 -0.1824 -1.0291  0.5002
+ 2535TIP3   OH2 9052   6.179   5.830   2.333  0.0303  0.0075  0.0911
+ 2535TIP3    H1 9053   6.112   5.834   2.266 -0.8497 -1.0128  0.8958
+ 2535TIP3    H2 9054   6.261   5.846   2.286 -0.7263  0.9204 -0.9430
+ 2536TIP3   OH2 9055   0.990   4.681   2.332 -0.1857 -0.5600  0.1203
+ 2536TIP3    H1 9056   0.905   4.723   2.338 -0.9380 -2.1658  1.0856
+ 2536TIP3    H2 9057   1.037   4.711   2.410  0.6147  1.2844 -1.0266
+ 2537TIP3   OH2 9058   6.509   0.211   1.385 -0.2925 -0.2813 -0.1445
+ 2537TIP3    H1 9059   6.596   0.171   1.392 -0.6496 -1.0931 -0.3173
+ 2537TIP3    H2 9060   6.495   0.221   1.291 -0.0445  0.6093 -0.0900
+ 2538TIP3   OH2 9061   1.116   6.217   6.233  0.4545 -0.5327 -0.5511
+ 2538TIP3    H1 9062   1.095   6.124   6.228 -0.6460 -0.2627 -1.0927
+ 2538TIP3    H2 9063   1.100   6.241   6.324 -1.3566 -0.4068 -0.8748
+ 2539TIP3   OH2 9064   2.477   5.136   1.364  0.1961  0.3071 -0.2456
+ 2539TIP3    H1 9065   2.402   5.127   1.305 -1.2304  2.5251  1.1543
+ 2539TIP3    H2 9066   2.444   5.109   1.450  2.1012 -2.3887 -0.2951
+ 2540TIP3   OH2 9067   6.715   0.501   2.136 -0.2125 -0.3874  0.3691
+ 2540TIP3    H1 9068   6.807   0.482   2.118 -0.8850 -3.8247  0.1763
+ 2540TIP3    H2 9069   6.669   0.477   2.055 -1.3096  1.3795  0.4324
+ 2541TIP3   OH2 9070   6.677   0.727   6.899 -0.6483  0.0704  0.1060
+ 2541TIP3    H1 9071   6.732   0.655   6.930 -0.3705  0.6995  1.0847
+ 2541TIP3    H2 9072   6.730   0.771   6.833 -2.3763 -3.0748 -3.5418
+ 2542TIP3   OH2 9073   1.148   3.683   1.162  0.6640 -0.2563  0.6177
+ 2542TIP3    H1 9074   1.165   3.589   1.163 -1.4487 -0.6932 -0.3850
+ 2542TIP3    H2 9075   1.064   3.693   1.208  0.0757  0.9545 -0.6805
+ 2543TIP3   OH2 9076   1.334   6.845   1.074 -0.4268  0.3224  0.1341
+ 2543TIP3    H1 9077   1.295   6.767   1.113 -0.2735  0.6524  0.9571
+ 2543TIP3    H2 9078   1.342   6.824   0.981  0.0070 -0.8133  0.4193
+ 2544TIP3   OH2 9079   0.089   3.791   2.804 -0.5202  0.1475 -0.5110
+ 2544TIP3    H1 9080  -0.004   3.772   2.815 -0.1733 -0.8193  1.0009
+ 2544TIP3    H2 9081   0.107   3.775   2.711 -1.7324 -0.2468 -0.6814
+ 2545TIP3   OH2 9082   2.340   1.281   1.724 -0.1947  0.1677  0.3441
+ 2545TIP3    H1 9083   2.399   1.207   1.707  0.6933  1.2948 -1.5247
+ 2545TIP3    H2 9084   2.364   1.310   1.812  0.6273 -0.6690  0.4091
+ 2546TIP3   OH2 9085   1.930   5.510   6.295  0.0609  0.3023 -0.2776
+ 2546TIP3    H1 9086   2.015   5.529   6.253  0.4819  0.9010  0.8223
+ 2546TIP3    H2 9087   1.900   5.595   6.328  0.0226 -0.2425  1.1404
+ 2547TIP3   OH2 9088   5.869   5.453   6.041  0.8470  0.0207 -0.2625
+ 2547TIP3    H1 9089   5.801   5.450   6.108  0.9309 -4.0232 -0.2440
+ 2547TIP3    H2 9090   5.943   5.496   6.084 -0.0009 -0.1293  1.3879
+ 2548TIP3   OH2 9091   2.059   6.484   2.963  0.2270 -0.2341  0.3555
+ 2548TIP3    H1 9092   2.033   6.394   2.983  0.3556 -0.4294 -0.3505
+ 2548TIP3    H2 9093   2.151   6.489   2.989 -0.0939  0.0198  1.4483
+ 2549TIP3   OH2 9094   2.240   6.103   2.545  0.4568 -0.4314 -0.0232
+ 2549TIP3    H1 9095   2.287   6.041   2.599  1.2594  0.4455  0.2960
+ 2549TIP3    H2 9096   2.155   6.061   2.528  1.4152 -2.0991 -0.7942
+ 2550TIP3   OH2 9097   0.939   5.650   0.328 -0.9821  0.7548 -0.2864
+ 2550TIP3    H1 9098   0.855   5.684   0.298 -0.4558 -0.2198 -2.9176
+ 2550TIP3    H2 9099   0.963   5.582   0.265  0.8305 -0.4055  1.5468
+ 2551TIP3   OH2 9100   0.019   5.826   0.524  0.3919 -0.4122 -0.2234
+ 2551TIP3    H1 9101   0.058   5.761   0.582 -1.8747  0.1117  1.9802
+ 2551TIP3    H2 9102  -0.035   5.776   0.464  0.6281 -0.7385 -0.1646
+ 2552TIP3   OH2 9103   6.561   3.876   6.610  0.3050  0.2428  0.0894
+ 2552TIP3    H1 9104   6.621   3.883   6.536 -0.0511  0.7989 -0.1514
+ 2552TIP3    H2 9105   6.544   3.783   6.618  1.4734  0.0430  0.3836
+ 2553TIP3   OH2 9106   0.380   5.436   1.306  0.0946  0.2035  0.1097
+ 2553TIP3    H1 9107   0.380   5.442   1.211  0.2672 -0.0847  0.0895
+ 2553TIP3    H2 9108   0.296   5.395   1.328  0.0435  0.2946  0.0832
+ 2554TIP3   OH2 9109   0.874   6.619   2.630 -0.0880  1.0936  0.1321
+ 2554TIP3    H1 9110   0.950   6.670   2.658  1.5633 -0.7302 -0.8802
+ 2554TIP3    H2 9111   0.867   6.635   2.536  0.1653 -0.1435 -0.1100
+ 2555TIP3   OH2 9112   4.441   2.069   2.125  0.7008  0.3192  0.4883
+ 2555TIP3    H1 9113   4.515   2.073   2.065  2.2707  0.2978  2.3411
+ 2555TIP3    H2 9114   4.473   2.113   2.204 -0.9917 -0.4196  1.6087
+ 2556TIP3   OH2 9115   5.119   5.400   2.870 -0.3410 -0.0871 -0.7978
+ 2556TIP3    H1 9116   5.208   5.435   2.871 -0.7154  0.8833  0.3872
+ 2556TIP3    H2 9117   5.079   5.434   2.950 -1.3304 -1.6841 -0.5809
+ 2557TIP3   OH2 9118   0.977   6.862   0.440  0.4905 -0.2376 -0.2428
+ 2557TIP3    H1 9119   0.941   6.932   0.385  1.9712  2.5361  2.1877
+ 2557TIP3    H2 9120   0.927   6.868   0.522  0.3068 -2.4008 -0.1534
+ 2558TIP3   OH2 9121   0.157   5.516   4.037 -0.0717 -0.7544  0.1030
+ 2558TIP3    H1 9122   0.228   5.452   4.041  0.0138 -0.5412  3.0334
+ 2558TIP3    H2 9123   0.087   5.477   4.089 -0.8153  0.5784  0.1144
+ 2559TIP3   OH2 9124   6.356   5.358   1.647  0.0224  0.1371 -0.2852
+ 2559TIP3    H1 9125   6.387   5.435   1.599  0.7942 -0.4199 -0.6921
+ 2559TIP3    H2 9126   6.382   5.374   1.737 -1.3186  1.1289 -0.0581
+ 2560TIP3   OH2 9127   2.782   6.178   0.579  0.1491 -0.6995 -0.0965
+ 2560TIP3    H1 9128   2.822   6.170   0.492  1.7455 -1.1577  0.6441
+ 2560TIP3    H2 9129   2.771   6.087   0.609  0.9356 -0.5285  0.7477
+ 2561TIP3   OH2 9130   0.591   0.950   6.885 -0.0297  0.3511  0.5924
+ 2561TIP3    H1 9131   0.679   0.986   6.876  0.7054 -1.5374  0.0705
+ 2561TIP3    H2 9132   0.542   0.986   6.811  0.8858 -0.2365 -0.3126
+ 2562TIP3   OH2 9133   2.120   1.239   1.958  0.4717  0.3934  0.3577
+ 2562TIP3    H1 9134   2.077   1.305   2.012  1.5882  1.7465 -0.3605
+ 2562TIP3    H2 9135   2.149   1.171   2.020 -0.8469  0.4756  1.0783
+ 2563TIP3   OH2 9136   1.653   0.348   0.809 -0.3766  0.4351  0.2433
+ 2563TIP3    H1 9137   1.581   0.292   0.840  1.9471 -1.1852  3.0399
+ 2563TIP3    H2 9138   1.657   0.419   0.873 -0.2275  1.1400 -0.5478
+ 2564TIP3   OH2 9139   3.574   1.995   6.569  0.2626  0.1788  0.1129
+ 2564TIP3    H1 9140   3.549   1.941   6.644 -0.2683  0.5903  0.2385
+ 2564TIP3    H2 9141   3.567   1.937   6.493 -0.3801  0.0995  0.2364
+ 2565TIP3   OH2 9142   1.527   0.565   2.067 -0.1007 -0.0580  0.1257
+ 2565TIP3    H1 9143   1.589   0.499   2.098 -0.7555  0.0539  1.7035
+ 2565TIP3    H2 9144   1.455   0.514   2.029  0.1285 -0.2284 -0.0765
+ 2566TIP3   OH2 9145   0.928   5.968   2.129  0.2497 -0.5415  0.1351
+ 2566TIP3    H1 9146   0.922   5.963   2.034 -0.5404  2.2886 -0.0160
+ 2566TIP3    H2 9147   1.005   6.023   2.145  0.6753 -1.4111  1.1627
+ 2567TIP3   OH2 9148   4.289   0.574   0.629 -0.4845 -0.3268 -0.0116
+ 2567TIP3    H1 9149   4.281   0.543   0.539 -2.3308 -0.2376  0.1022
+ 2567TIP3    H2 9150   4.372   0.622   0.630  0.2491 -1.5293 -1.2898
+ 2568TIP3   OH2 9151   3.069   5.731   2.961 -0.2384  0.0037 -0.1260
+ 2568TIP3    H1 9152   3.134   5.733   3.032 -0.4194 -0.6362  0.0617
+ 2568TIP3    H2 9153   2.987   5.756   3.003 -0.3479 -0.3868 -0.0976
+ 2569TIP3   OH2 9154   0.595   5.442   2.446  0.0846  0.3234 -0.5816
+ 2569TIP3    H1 9155   0.520   5.405   2.400  0.5635 -0.1384 -0.9977
+ 2569TIP3    H2 9156   0.572   5.534   2.460 -1.2801 -0.2083  0.8094
+ 2570TIP3   OH2 9157   5.510   5.142   5.630 -0.3909 -0.1397 -0.5771
+ 2570TIP3    H1 9158   5.554   5.182   5.555  1.2034  2.8338  1.7976
+ 2570TIP3    H2 9159   5.540   5.052   5.630  2.1437  0.6536 -1.6776
+ 2571TIP3   OH2 9160   0.530   5.274   0.905  0.3518 -0.0633  0.2480
+ 2571TIP3    H1 9161   0.576   5.348   0.944 -2.9175  2.6122 -0.7078
+ 2571TIP3    H2 9162   0.439   5.287   0.930 -0.1907 -4.2544  0.6910
+ 2572TIP3   OH2 9163   1.138   5.412   3.118 -0.0536 -0.6758 -0.3983
+ 2572TIP3    H1 9164   1.219   5.363   3.126  0.0217 -0.3949  0.6558
+ 2572TIP3    H2 9165   1.149   5.487   3.177 -0.6893 -0.1080 -0.9824
+ 2573TIP3   OH2 9166   6.199   5.227   6.164  0.8947 -0.5040  0.2886
+ 2573TIP3    H1 9167   6.290   5.239   6.193  1.1113  0.0440 -0.6081
+ 2573TIP3    H2 9168   6.198   5.259   6.074 -0.1779 -0.5764  0.2707
+ 2574TIP3   OH2 9169   1.122   1.163   2.331  0.2303 -0.1970 -0.1487
+ 2574TIP3    H1 9170   1.140   1.221   2.257 -1.5197 -0.8905 -1.1586
+ 2574TIP3    H2 9171   1.037   1.192   2.363  0.6538 -0.3719  1.1533
+ 2575TIP3   OH2 9172   6.796   0.506   0.144  0.0541  0.0013  1.0201
+ 2575TIP3    H1 9173   6.870   0.446   0.153 -0.0518 -0.0210  1.7671
+ 2575TIP3    H2 9174   6.806   0.568   0.216 -0.2343  0.4578  0.6744
+ 2576TIP3   OH2 9175   1.301   5.225   1.332  0.1048 -0.5113 -0.4421
+ 2576TIP3    H1 9176   1.353   5.305   1.342  0.3152 -0.6251 -0.6112
+ 2576TIP3    H2 9177   1.336   5.184   1.253 -0.5194 -0.3807 -0.7847
+ 2577TIP3   OH2 9178   1.776   4.733   5.888  0.5868 -0.0985  0.3801
+ 2577TIP3    H1 9179   1.870   4.715   5.884  1.0096  1.8591  0.9671
+ 2577TIP3    H2 9180   1.755   4.771   5.803  0.9878  2.4132  1.3801
+ 2578TIP3   OH2 9181   2.144   4.480   0.284 -0.5783 -0.0684 -0.0411
+ 2578TIP3    H1 9182   2.092   4.426   0.224 -1.6109 -0.1985  0.9585
+ 2578TIP3    H2 9183   2.185   4.418   0.343 -1.8559  0.2239  1.1798
+ 2579TIP3   OH2 9184   3.192   4.789   2.080 -0.0000 -0.0523 -0.1151
+ 2579TIP3    H1 9185   3.141   4.719   2.121 -0.2441 -0.6279 -1.3686
+ 2579TIP3    H2 9186   3.135   4.865   2.083 -0.7305 -0.5479 -0.9733
+ 2580TIP3   OH2 9187   2.972   1.245   6.373  0.1544 -0.3480 -0.3657
+ 2580TIP3    H1 9188   3.060   1.262   6.405 -0.2120  1.1375 -0.1217
+ 2580TIP3    H2 9189   2.917   1.247   6.452 -0.6038  2.3241 -0.9201
+ 2581TIP3   OH2 9190   0.106   4.005   6.211  0.1851 -0.2951  0.2869
+ 2581TIP3    H1 9191   0.077   3.925   6.255 -2.5281 -0.7419 -2.1395
+ 2581TIP3    H2 9192   0.096   4.074   6.276 -3.8991 -0.9042  0.4634
+ 2582TIP3   OH2 9193   3.181   6.054   3.058 -0.2848 -0.2185 -0.1725
+ 2582TIP3    H1 9194   3.162   6.147   3.058  0.6283  0.0011 -2.4971
+ 2582TIP3    H2 9195   3.127   6.018   3.128 -0.6244  2.0442  0.7559
+ 2583TIP3   OH2 9196   1.428   6.283   1.219  0.0869 -0.1588 -0.1305
+ 2583TIP3    H1 9197   1.435   6.276   1.314 -1.5316 -0.5182 -0.0330
+ 2583TIP3    H2 9198   1.335   6.295   1.202  0.4803  1.0062 -1.6079
+ 2584TIP3   OH2 9199   4.672   5.565   6.716 -0.5123 -0.2299 -0.3275
+ 2584TIP3    H1 9200   4.677   5.639   6.777  0.7438  0.1586 -0.8945
+ 2584TIP3    H2 9201   4.602   5.510   6.752  0.3113 -0.0885  1.5637
+ 2585TIP3   OH2 9202   0.913   4.616   1.364  0.3557  0.0377 -0.1707
+ 2585TIP3    H1 9203   0.988   4.591   1.311  0.3655  2.1328 -1.2074
+ 2585TIP3    H2 9204   0.841   4.562   1.332  0.5708  0.6589 -1.7514
+ 2586TIP3   OH2 9205   4.868   6.247   1.165  0.3119 -0.5595 -0.1355
+ 2586TIP3    H1 9206   4.835   6.302   1.094  1.5076 -0.5814 -0.7112
+ 2586TIP3    H2 9207   4.917   6.307   1.221  0.6702 -0.8341 -0.1564
+ 2587TIP3   OH2 9208   1.599   0.080   2.685 -0.3709  0.4917 -0.3418
+ 2587TIP3    H1 9209   1.654   0.085   2.607  1.2080 -0.8534  0.6530
+ 2587TIP3    H2 9210   1.523   0.029   2.657  0.7653 -1.0548 -0.7013
+ 2588TIP3   OH2 9211   0.972   4.647   1.839  0.2028  0.1646  0.6920
+ 2588TIP3    H1 9212   0.960   4.564   1.885 -0.5179  1.0620  2.1640
+ 2588TIP3    H2 9213   1.014   4.704   1.904  3.4542  0.0931 -1.2349
+ 2589TIP3   OH2 9214   1.428   6.140   2.027 -0.3026  0.4334 -0.1292
+ 2589TIP3    H1 9215   1.352   6.189   2.059 -1.5496 -1.4113 -0.1717
+ 2589TIP3    H2 9216   1.390   6.074   1.967  1.4654  0.3964 -1.2386
+ 2590TIP3   OH2 9217   3.691   0.837   2.318  0.6762 -0.1979  0.5026
+ 2590TIP3    H1 9218   3.640   0.783   2.378  0.0287 -0.7876 -0.5628
+ 2590TIP3    H2 9219   3.763   0.870   2.371  0.4366 -1.1842  1.4647
+ 2591TIP3   OH2 9220   1.293   0.511   1.182 -0.1601  0.1482  0.0757
+ 2591TIP3    H1 9221   1.252   0.574   1.121 -2.9021  0.8701  2.5168
+ 2591TIP3    H2 9222   1.275   0.426   1.143 -2.6038  0.5541  0.2183
+ 2592TIP3   OH2 9223   5.486   4.744   3.166  0.1678 -0.4279 -0.1726
+ 2592TIP3    H1 9224   5.397   4.723   3.192  0.6265 -0.5384  1.3728
+ 2592TIP3    H2 9225   5.525   4.661   3.141 -0.0202 -0.4543 -0.3716
+ 2593TIP3   OH2 9226   1.814   5.749   6.688  0.1707 -0.4826  0.2461
+ 2593TIP3    H1 9227   1.771   5.832   6.706  0.6729 -0.2630  0.4286
+ 2593TIP3    H2 9228   1.773   5.687   6.748 -0.1143 -0.3419  0.1972
+ 2594TIP3   OH2 9229   2.516   2.644   0.540 -0.2883 -0.2095  0.2541
+ 2594TIP3    H1 9230   2.529   2.642   0.445 -0.7008 -0.7692  0.2066
+ 2594TIP3    H2 9231   2.594   2.689   0.573 -1.7764  3.2023 -0.6117
+ 2595TIP3   OH2 9232   2.333   6.862   0.104 -0.2813 -0.2458  0.4078
+ 2595TIP3    H1 9233   2.310   6.884   0.014  0.3120 -1.5846 -0.0769
+ 2595TIP3    H2 9234   2.390   6.934   0.132  0.6879 -0.5494 -0.7655
+ 2596TIP3   OH2 9235   5.817   6.108   2.406  0.6853 -0.3880 -0.2946
+ 2596TIP3    H1 9236   5.761   6.072   2.474 -0.8370  0.4823 -1.0754
+ 2596TIP3    H2 9237   5.889   6.150   2.454 -0.1584 -0.1368  0.7620
+ 2597TIP3   OH2 9238   0.973   6.484   2.159 -0.3938  0.6766  0.0477
+ 2597TIP3    H1 9239   0.884   6.451   2.149  0.3760 -1.7676  0.9354
+ 2597TIP3    H2 9240   0.977   6.516   2.249 -0.7442  2.0504 -0.4066
+ 2598TIP3   OH2 9241   6.093   0.595   3.536  0.1984  0.0471 -0.2000
+ 2598TIP3    H1 9242   6.072   0.680   3.574 -1.5758 -0.9863  1.1863
+ 2598TIP3    H2 9243   6.109   0.614   3.443  0.5632  1.9862  0.2402
+ 2599TIP3   OH2 9244   0.462   0.077   2.499  0.0726  0.1602 -0.1205
+ 2599TIP3    H1 9245   0.447   0.134   2.423 -0.5675  0.3809  0.1610
+ 2599TIP3    H2 9246   0.484   0.138   2.570  0.4480 -0.0287 -0.0754
+ 2600TIP3   OH2 9247   0.582   6.262   2.436 -0.7220  0.0138  0.5476
+ 2600TIP3    H1 9248   0.647   6.211   2.388 -0.3754  1.1420 -0.1923
+ 2600TIP3    H2 9249   0.517   6.198   2.464 -0.3641 -0.8193 -0.5051
+ 2601TIP3   OH2 9250   0.996   4.482   0.680 -0.4116  0.0668  0.0214
+ 2601TIP3    H1 9251   1.063   4.433   0.632 -1.8125 -0.6929 -1.2160
+ 2601TIP3    H2 9252   0.913   4.442   0.652 -1.3568  0.6385  1.9087
+ 2602TIP3   OH2 9253   2.242   0.027   2.860  0.6424  0.3525 -0.2298
+ 2602TIP3    H1 9254   2.206   0.035   2.948  0.2678 -3.1528 -0.0161
+ 2602TIP3    H2 9255   2.214  -0.059   2.829  0.0249  1.8375 -4.1341
+ 2603TIP3   OH2 9256   6.575   3.221   3.729 -0.0268  0.0144 -0.3308
+ 2603TIP3    H1 9257   6.485   3.223   3.696 -0.4622 -0.4459  0.8156
+ 2603TIP3    H2 9258   6.568   3.255   3.818  0.8545 -0.5725 -0.0395
+ 2604TIP3   OH2 9259   5.521   6.347   2.929  0.2054  0.7838  0.3826
+ 2604TIP3    H1 9260   5.465   6.269   2.928  2.1083 -0.6083 -0.7702
+ 2604TIP3    H2 9261   5.496   6.396   2.851 -1.2527  1.5469  1.3054
+ 2605TIP3   OH2 9262   0.666   5.696   1.597  0.1098 -0.1271  0.0746
+ 2605TIP3    H1 9263   0.703   5.676   1.683 -0.7458 -2.0040  0.0488
+ 2605TIP3    H2 9264   0.571   5.687   1.609 -0.0442  0.0701 -0.9367
+ 2606TIP3   OH2 9265   0.039   6.360   1.418  0.3492  0.3735  0.0937
+ 2606TIP3    H1 9266  -0.052   6.380   1.395 -0.1119  1.9666  3.0781
+ 2606TIP3    H2 9267   0.038   6.350   1.513  2.6231 -3.5182 -0.1967
+ 2607TIP3   OH2 9268   1.963   5.648   1.752  0.1513 -0.5220  0.7468
+ 2607TIP3    H1 9269   1.914   5.656   1.834 -0.2300 -0.4047  0.5082
+ 2607TIP3    H2 9270   2.046   5.694   1.769 -1.1584  2.2261  0.0832
+ 2608TIP3   OH2 9271   5.182   1.012   3.826 -0.2892  0.0637  0.4163
+ 2608TIP3    H1 9272   5.260   1.027   3.879 -0.0469 -0.1469  0.1175
+ 2608TIP3    H2 9273   5.210   1.031   3.736 -0.3123 -0.9634  0.1860
+ 2609TIP3   OH2 9274   3.447   6.419   1.920 -0.0841  0.3897  0.9243
+ 2609TIP3    H1 9275   3.390   6.438   1.845  0.7093  0.1297  0.2405
+ 2609TIP3    H2 9276   3.388   6.417   1.995 -0.7349  1.8231  0.4834
+ 2610TIP3   OH2 9277   4.742   0.640   2.372  0.0313 -0.0313 -0.3042
+ 2610TIP3    H1 9278   4.713   0.631   2.281 -0.3671 -0.3493 -0.1477
+ 2610TIP3    H2 9279   4.718   0.729   2.397 -2.0723 -0.7446  0.2635
+ 2611TIP3   OH2 9280   4.049   6.030   1.576  0.4770 -0.0570  0.3240
+ 2611TIP3    H1 9281   3.964   5.988   1.567  0.4284 -0.0778  0.8400
+ 2611TIP3    H2 9282   4.041   6.083   1.655  0.8498  0.1636  0.2143
+ 2612TIP3   OH2 9283   2.100   6.600   0.766 -0.1291  0.6563 -0.6364
+ 2612TIP3    H1 9284   2.087   6.510   0.795 -1.3221  1.1470  0.4157
+ 2612TIP3    H2 9285   2.192   6.604   0.739 -0.6079 -1.3823 -2.5969
+ 2613TIP3   OH2 9286   1.119   5.517   0.116  0.1105 -0.0479 -0.6225
+ 2613TIP3    H1 9287   1.145   5.437   0.071 -0.9061  0.0533 -1.4109
+ 2613TIP3    H2 9288   1.083   5.573   0.047 -1.5812  0.0656  0.3233
+ 2614TIP3   OH2 9289   0.622   6.282   5.730 -0.2441  0.4287  1.1910
+ 2614TIP3    H1 9290   0.529   6.272   5.709 -0.1942 -0.9817  1.5668
+ 2614TIP3    H2 9291   0.624   6.345   5.802 -0.9074  0.4566  1.1890
+ 2615TIP3   OH2 9292   1.774   0.847   1.171  0.0270  0.5679  0.4302
+ 2615TIP3    H1 9293   1.810   0.771   1.124 -0.3418  1.3231 -1.0870
+ 2615TIP3    H2 9294   1.684   0.853   1.142 -0.4383  0.6184  1.8168
+ 2616TIP3   OH2 9295   1.516   5.650   3.056 -1.0935 -0.7437  0.7955
+ 2616TIP3    H1 9296   1.526   5.681   3.146 -1.0357 -1.8714  1.1900
+ 2616TIP3    H2 9297   1.589   5.590   3.043 -0.4030  0.3509 -0.4214
+ 2617TIP3   OH2 9298   3.345   5.179   2.682 -0.2901 -0.1238  0.1276
+ 2617TIP3    H1 9299   3.336   5.112   2.615  1.4292  2.6829 -3.0526
+ 2617TIP3    H2 9300   3.435   5.170   2.714 -0.7022 -0.6386  1.1555
+ 2618TIP3   OH2 9301   3.853   6.706   1.711 -0.0424  0.3549  0.4061
+ 2618TIP3    H1 9302   3.834   6.631   1.655  0.3519  0.3860  0.2293
+ 2618TIP3    H2 9303   3.787   6.771   1.690  0.1393  0.3870 -0.0613
+ 2619TIP3   OH2 9304   3.351   0.817   0.506 -0.9185 -0.5409 -0.4726
+ 2619TIP3    H1 9305   3.420   0.831   0.441 -0.0769  0.3173  0.5837
+ 2619TIP3    H2 9306   3.288   0.761   0.462 -0.0844 -0.4341 -1.8392
+ 2620TIP3   OH2 9307   1.040   0.806   1.136  0.2738  0.0901 -0.1250
+ 2620TIP3    H1 9308   1.022   0.712   1.131 -3.2331  0.6541  0.6968
+ 2620TIP3    H2 9309   0.968   0.847   1.087  2.2018  2.3395 -1.1809
+ 2621TIP3   OH2 9310   1.614   5.524   2.363 -0.0071 -0.1475  0.1392
+ 2621TIP3    H1 9311   1.676   5.452   2.361  0.4752  0.1206  3.4929
+ 2621TIP3    H2 9312   1.549   5.500   2.430 -0.3442  2.0880  0.6754
+ 2622TIP3   OH2 9313   1.550   6.809   4.250 -0.7864 -0.3867 -0.0529
+ 2622TIP3    H1 9314   1.476   6.870   4.250 -1.9757 -1.8111  0.0842
+ 2622TIP3    H2 9315   1.523   6.739   4.309  1.8261  0.4188  2.1833
+ 2623TIP3   OH2 9316   2.008   4.301   2.041 -0.4447 -0.3689  0.4426
+ 2623TIP3    H1 9317   2.086   4.352   2.019 -0.9768  0.9131  1.4532
+ 2623TIP3    H2 9318   1.975   4.269   1.957 -0.8046  2.0134 -0.3624
+ 2624TIP3   OH2 9319   0.598   4.314   5.921  0.2600 -0.0252 -0.0747
+ 2624TIP3    H1 9320   0.522   4.258   5.936  0.1277  0.2162  0.1604
+ 2624TIP3    H2 9321   0.660   4.258   5.875 -0.0336 -0.2436 -0.2068
+ 2625TIP3   OH2 9322   0.639   6.295   1.798  0.2153  0.1490 -0.4475
+ 2625TIP3    H1 9323   0.564   6.281   1.741 -0.5955 -0.0886  0.6577
+ 2625TIP3    H2 9324   0.605   6.282   1.886  2.0331 -2.0598 -0.0271
+ 2626TIP3   OH2 9325   1.798   0.573   0.451 -0.1514 -0.4884 -0.6342
+ 2626TIP3    H1 9326   1.848   0.548   0.373  1.5891  1.0822 -0.0736
+ 2626TIP3    H2 9327   1.777   0.490   0.494  0.9845 -1.2532 -1.5080
+ 2627TIP3   OH2 9328   0.062   6.241   4.870 -0.5404  0.2403  0.7254
+ 2627TIP3    H1 9329   0.054   6.240   4.774  0.7255  2.3443  0.5577
+ 2627TIP3    H2 9330   0.031   6.155   4.897  2.0009 -1.5885 -1.8267
+ 2628TIP3   OH2 9331   1.512   6.492   5.335  0.0780  0.1224  0.1985
+ 2628TIP3    H1 9332   1.560   6.444   5.402  1.7721  2.0498  0.4288
+ 2628TIP3    H2 9333   1.561   6.574   5.325 -0.8817  0.4195 -2.4670
+ 2629TIP3   OH2 9334   5.189   4.869   0.409 -0.0565  0.1145  0.4609
+ 2629TIP3    H1 9335   5.277   4.834   0.419 -0.1862  0.4062  3.1777
+ 2629TIP3    H2 9336   5.139   4.797   0.370  1.0297 -0.5972  0.3588
+ 2630TIP3   OH2 9337   0.138   5.122   0.324 -0.3276 -0.2257 -0.0079
+ 2630TIP3    H1 9338   0.112   5.037   0.288  0.9764 -0.2822 -0.8655
+ 2630TIP3    H2 9339   0.222   5.106   0.366  2.2410  1.5308 -4.1608
+ 2631TIP3   OH2 9340   3.482   5.334   1.508 -0.1757  0.2971  0.5183
+ 2631TIP3    H1 9341   3.559   5.389   1.521 -0.4428  0.5480  1.0558
+ 2631TIP3    H2 9342   3.453   5.354   1.419  1.4472 -1.1600 -0.3505
+ 2632TIP3   OH2 9343   0.870   6.766   2.968 -0.5472  0.0715  0.4386
+ 2632TIP3    H1 9344   0.865   6.686   3.021  2.6814  0.0696  0.8564
+ 2632TIP3    H2 9345   0.890   6.835   3.030 -1.7952  0.9497 -0.1300
+ 2633TIP3   OH2 9346   6.389   6.690   1.237  0.0452  0.2407  0.1730
+ 2633TIP3    H1 9347   6.306   6.679   1.284  0.0884  1.3966  0.5393
+ 2633TIP3    H2 9348   6.377   6.771   1.187  1.0659  0.5841  0.4799
+ 2634TIP3   OH2 9349   6.695   6.455   3.037 -0.9673 -0.2406 -0.1065
+ 2634TIP3    H1 9350   6.752   6.468   3.113 -0.6551  1.5763 -0.6285
+ 2634TIP3    H2 9351   6.743   6.394   2.981  1.2906  2.5225 -1.3103
+ 2635TIP3   OH2 9352   2.330   5.317   1.133 -0.5546 -0.2279 -0.7905
+ 2635TIP3    H1 9353   2.282   5.234   1.136 -0.1471 -0.4334  0.0185
+ 2635TIP3    H2 9354   2.279   5.371   1.073 -1.5282 -0.6128 -0.3229
+ 2636TIP3   OH2 9355   1.388   5.996   1.236  0.1955 -0.0674 -0.2485
+ 2636TIP3    H1 9356   1.404   5.960   1.149  3.3189  2.0315 -0.6398
+ 2636TIP3    H2 9357   1.405   6.090   1.226  0.0482  0.2793  2.5025
+ 2637TIP3   OH2 9358   6.191   4.949   6.105  0.4786  0.0404  0.2718
+ 2637TIP3    H1 9359   6.180   4.946   6.010  0.3736 -0.7289  0.3115
+ 2637TIP3    H2 9360   6.197   5.043   6.124  0.3774  0.2083 -0.4767
+ 2638TIP3   OH2 9361   3.144   4.377   1.812  0.0073  0.5653  0.0325
+ 2638TIP3    H1 9362   3.081   4.384   1.740 -0.9031  0.1203  0.7851
+ 2638TIP3    H2 9363   3.204   4.450   1.798  0.5884 -0.2572 -1.9152
+ 2639TIP3   OH2 9364   6.541   4.882   5.592  0.3687  0.3686 -0.1955
+ 2639TIP3    H1 9365   6.479   4.833   5.647 -0.3001  1.1139 -0.2628
+ 2639TIP3    H2 9366   6.608   4.912   5.653  0.7185 -0.5248 -0.1360
+ 2640TIP3   OH2 9367   6.217   5.965   1.794  0.1134 -0.1739 -0.3417
+ 2640TIP3    H1 9368   6.156   5.902   1.830 -0.9430 -0.0881 -1.9333
+ 2640TIP3    H2 9369   6.227   5.940   1.702 -0.4231  2.0003 -1.0449
+ 2641TIP3   OH2 9370   6.644   5.372   2.232 -0.3093  0.3582 -0.8646
+ 2641TIP3    H1 9371   6.629   5.439   2.298  0.8175 -1.0810  0.8889
+ 2641TIP3    H2 9372   6.737   5.350   2.240 -0.1147  0.2583 -3.0267
+ 2642TIP3   OH2 9373   5.971   5.955   0.552  0.3021  0.2526  0.0953
+ 2642TIP3    H1 9374   6.059   5.926   0.578 -0.0272  0.8786  1.9461
+ 2642TIP3    H2 9375   5.962   5.924   0.462  2.2408 -0.2339  0.0435
+ 2643TIP3   OH2 9376   2.693   0.200   6.665  0.0536 -0.1746 -0.3597
+ 2643TIP3    H1 9377   2.603   0.183   6.692  0.0531 -0.8280 -0.7538
+ 2643TIP3    H2 9378   2.709   0.139   6.593  1.2181 -0.9521  0.5254
+ 2644TIP3   OH2 9379   0.305   0.186   0.502 -0.2423 -0.1264 -0.3441
+ 2644TIP3    H1 9380   0.339   0.131   0.432  3.3852  3.4968 -1.5960
+ 2644TIP3    H2 9381   0.266   0.261   0.458 -1.1931  0.4514  1.4236
+ 2645TIP3   OH2 9382   4.011   0.431   2.520  0.3764 -0.0759 -0.0954
+ 2645TIP3    H1 9383   3.974   0.374   2.454  0.9860 -0.9799  0.3379
+ 2645TIP3    H2 9384   3.991   0.520   2.489  0.2994 -0.4971 -1.2686
+ 2646TIP3   OH2 9385   6.838   0.587   3.056 -0.1721  0.1953 -0.3319
+ 2646TIP3    H1 9386   6.808   0.676   3.041  1.0720  0.5963 -0.5303
+ 2646TIP3    H2 9387   6.804   0.537   2.982 -1.2143  0.4192 -0.0074
+ 2647TIP3   OH2 9388   2.292   5.775   3.778  0.1854 -0.0442  0.4651
+ 2647TIP3    H1 9389   2.250   5.792   3.693  1.7440 -0.6883 -0.4684
+ 2647TIP3    H2 9390   2.378   5.817   3.770  1.3590 -2.3467  0.7263
+ 2648TIP3   OH2 9391   0.974   0.494   1.808 -0.4528  0.3448 -0.2241
+ 2648TIP3    H1 9392   0.909   0.433   1.775 -0.5713  1.0432 -1.3005
+ 2648TIP3    H2 9393   1.034   0.508   1.735 -0.8684  2.1102 -0.2516
+ 2649TIP3   OH2 9394   1.950   0.863   1.385  0.4889 -0.1689  0.6689
+ 2649TIP3    H1 9395   1.969   0.772   1.407 -1.6621 -0.6866  0.5171
+ 2649TIP3    H2 9396   1.896   0.858   1.306 -1.1269  1.1116  1.6449
+ 2650TIP3   OH2 9397   3.354   0.802   2.326  0.0562 -0.1199 -0.7577
+ 2650TIP3    H1 9398   3.429   0.842   2.283 -0.4889 -0.4514 -2.0394
+ 2650TIP3    H2 9399   3.287   0.870   2.326  0.8702  0.7422  1.8799
+ 2651TIP3   OH2 9400   2.191   1.790   2.541  0.5949  0.1782 -0.2968
+ 2651TIP3    H1 9401   2.100   1.816   2.524  0.5348  0.3192  0.2380
+ 2651TIP3    H2 9402   2.205   1.713   2.486  0.1492  0.1494 -0.3713
+ 2652TIP3   OH2 9403   2.476   0.445   0.377 -0.8386 -0.1713  0.4801
+ 2652TIP3    H1 9404   2.382   0.439   0.361 -0.5516  0.2195 -1.4588
+ 2652TIP3    H2 9405   2.485   0.522   0.433 -1.6534 -0.1087  0.5368
+ 2653TIP3   OH2 9406   5.253   6.017   5.948 -0.2809 -0.1939 -0.5648
+ 2653TIP3    H1 9407   5.162   6.046   5.954 -0.8801 -1.3626 -3.2673
+ 2653TIP3    H2 9408   5.274   5.986   6.036 -3.2427 -1.9694 -0.4039
+ 2654TIP3   OH2 9409   1.760   0.217   2.002 -0.2017 -0.2227  0.1640
+ 2654TIP3    H1 9410   1.790   0.244   2.089 -1.4494  3.1207 -0.3746
+ 2654TIP3    H2 9411   1.665   0.207   2.011 -0.6958  2.6119 -1.3420
+ 2655TIP3   OH2 9412   4.604   0.021   6.201  0.7440  0.3621 -0.1515
+ 2655TIP3    H1 9413   4.594  -0.063   6.247  0.7158 -1.3630 -3.2159
+ 2655TIP3    H2 9414   4.521   0.067   6.218  1.2546  0.3806  2.6065
+ 2656TIP3   OH2 9415   2.744   5.526   1.890 -0.1098 -0.2071 -0.2034
+ 2656TIP3    H1 9416   2.820   5.479   1.925 -0.7776 -2.0484 -1.1675
+ 2656TIP3    H2 9417   2.683   5.529   1.963  1.0521  1.7444  0.7431
+ 2657TIP3   OH2 9418   2.489   1.810   1.120 -0.1661  0.4984  0.2130
+ 2657TIP3    H1 9419   2.428   1.867   1.074 -0.8879  0.6818  1.3798
+ 2657TIP3    H2 9420   2.575   1.835   1.087 -0.7751 -0.3769 -2.0892
+ 2658TIP3   OH2 9421   2.466   6.163   2.359  0.1736  0.5314  0.3064
+ 2658TIP3    H1 9422   2.492   6.239   2.410  1.1508  0.0556  0.5232
+ 2658TIP3    H2 9423   2.390   6.128   2.405 -0.1472  1.2438  0.3264
+ 2659TIP3   OH2 9424   4.356   4.845   1.791 -0.2523 -0.6983  0.3152
+ 2659TIP3    H1 9425   4.268   4.835   1.753 -0.5321 -1.5528  1.1700
+ 2659TIP3    H2 9426   4.400   4.907   1.733 -1.5720  0.0809  0.1367
+ 2660TIP3   OH2 9427   4.365   6.438   2.211 -0.2857 -0.5282 -0.2125
+ 2660TIP3    H1 9428   4.443   6.467   2.258  0.2560 -2.2781 -0.0013
+ 2660TIP3    H2 9429   4.343   6.511   2.153  1.3417  0.0805 -0.0808
+ 2661TIP3   OH2 9430   2.174   4.815   6.826  0.3488  0.3133  0.8317
+ 2661TIP3    H1 9431   2.177   4.907   6.852 -1.6094  0.8049 -0.5319
+ 2661TIP3    H2 9432   2.085   4.803   6.791  0.4917 -2.1572  1.2160
+ 2662TIP3   OH2 9433   6.556   6.725   3.719  0.2455 -0.1783 -0.2851
+ 2662TIP3    H1 9434   6.506   6.653   3.759  0.2266  0.2533  0.4671
+ 2662TIP3    H2 9435   6.534   6.721   3.626  0.9380 -1.7215 -0.4033
+ 2663TIP3   OH2 9436   5.503   5.302   2.184 -0.4789 -0.0035 -0.2790
+ 2663TIP3    H1 9437   5.594   5.281   2.163 -0.0429 -0.1862  1.7282
+ 2663TIP3    H2 9438   5.452   5.248   2.123  0.7310 -1.5825  0.0563
+ 2664TIP3   OH2 9439   2.568   6.709   1.069 -0.2428  0.0908  0.0306
+ 2664TIP3    H1 9440   2.586   6.787   1.017 -1.3600 -1.2174 -2.3808
+ 2664TIP3    H2 9441   2.597   6.636   1.015 -2.1751 -1.3570  0.8833
+ 2665TIP3   OH2 9442   0.563   5.959   6.759  0.3915  0.1518 -0.5032
+ 2665TIP3    H1 9443   0.534   5.984   6.671 -0.4055  3.9275  0.7609
+ 2665TIP3    H2 9444   0.485   5.925   6.802 -0.0005  1.4070 -0.2040
+ 2666TIP3   OH2 9445   3.788   5.540   1.209 -0.6523  0.6546  0.3923
+ 2666TIP3    H1 9446   3.876   5.504   1.220 -0.3679  1.1804 -0.1572
+ 2666TIP3    H2 9447   3.739   5.471   1.165  0.0493  1.1471 -1.2036
+ 2667TIP3   OH2 9448   2.569   6.341   0.549  0.1961  0.1181  0.1734
+ 2667TIP3    H1 9449   2.617   6.263   0.575 -0.7907 -0.6100 -0.1267
+ 2667TIP3    H2 9450   2.578   6.344   0.453  0.5488  0.5850  0.2203
+ 2668TIP3   OH2 9451   2.757   5.125   1.618 -0.2559  0.2252 -0.5999
+ 2668TIP3    H1 9452   2.691   5.192   1.640  0.6623  0.8306  0.3719
+ 2668TIP3    H2 9453   2.731   5.049   1.669 -0.2412  0.4509 -0.2475
+ 2669TIP3   OH2 9454   3.389   0.454   6.847  0.5403 -0.0342 -0.2314
+ 2669TIP3    H1 9455   3.454   0.389   6.820 -0.1481 -0.7487 -0.2067
+ 2669TIP3    H2 9456   3.309   0.427   6.803  0.4438  1.3168 -0.9149
+ 2670TIP3   OH2 9457   4.136   4.905   2.548 -0.1848  0.1805 -0.1589
+ 2670TIP3    H1 9458   4.167   4.831   2.599 -2.4918 -0.1301  0.8338
+ 2670TIP3    H2 9459   4.216   4.947   2.515  1.2865 -0.4868  2.4628
+ 2671TIP3   OH2 9460   1.204   0.810   1.345 -0.1975 -0.1200 -0.1093
+ 2671TIP3    H1 9461   1.160   0.866   1.409  2.4590  1.3230  0.4929
+ 2671TIP3    H2 9462   1.164   0.835   1.261 -0.2148  1.5338  0.3650
+ 2672TIP3   OH2 9463   1.596   1.452   6.632 -0.8296 -0.0660 -0.2277
+ 2672TIP3    H1 9464   1.560   1.505   6.561 -0.9159  1.6855  1.0964
+ 2672TIP3    H2 9465   1.685   1.485   6.645  0.1376 -2.1714 -1.2800
+ 2673TIP3   OH2 9466   3.900   5.264   4.239 -0.0650 -0.1305  0.1786
+ 2673TIP3    H1 9467   3.907   5.357   4.257  0.4279 -0.2707  0.7521
+ 2673TIP3    H2 9468   3.947   5.222   4.311 -0.7692 -0.8416  0.2408
+ 2674TIP3   OH2 9469   5.184   2.013   6.430 -0.2802 -0.1804  0.7354
+ 2674TIP3    H1 9470   5.106   2.056   6.463  0.8103  1.3336  1.3688
+ 2674TIP3    H2 9471   5.208   1.950   6.498  0.9610  1.7104  2.0680
+ 2675TIP3   OH2 9472   1.591   5.540   6.307 -0.3281  0.2625 -0.3087
+ 2675TIP3    H1 9473   1.628   5.546   6.219  1.2274 -0.7204  0.2553
+ 2675TIP3    H2 9474   1.497   5.531   6.293  0.0884 -1.8094 -1.9448
+ 2676TIP3   OH2 9475   4.093   0.806   0.615  0.2797 -0.0457 -0.1110
+ 2676TIP3    H1 9476   4.114   0.764   0.698  0.1687 -1.4057 -0.7628
+ 2676TIP3    H2 9477   4.178   0.828   0.577  0.3586 -0.4358 -0.1574
+ 2677TIP3   OH2 9478   3.759   6.867   3.199 -0.0807 -0.5897 -0.4745
+ 2677TIP3    H1 9479   3.846   6.827   3.192 -0.0830 -0.3471 -1.9667
+ 2677TIP3    H2 9480   3.702   6.809   3.149 -0.6696 -0.3817 -0.0522
+ 2678TIP3   OH2 9481   2.739   6.500   2.670 -0.2706 -0.7770 -0.3678
+ 2678TIP3    H1 9482   2.789   6.525   2.592 -0.9129 -1.9887 -1.1790
+ 2678TIP3    H2 9483   2.766   6.563   2.737  0.8274 -0.1728 -1.3644
+ 2679TIP3   OH2 9484   3.967   0.163   2.191 -0.6110 -0.2446 -0.0637
+ 2679TIP3    H1 9485   3.948   0.255   2.175  0.0094 -0.3134 -1.2407
+ 2679TIP3    H2 9486   4.052   0.162   2.234 -0.6145 -0.2715 -0.0574
+ 2680TIP3   OH2 9487   3.464   5.227   1.770 -0.0092  0.0786  0.4214
+ 2680TIP3    H1 9488   3.407   5.152   1.754  1.1159 -1.4282  3.1012
+ 2680TIP3    H2 9489   3.484   5.261   1.683 -1.5628 -1.9381 -0.7744
+ 2681TIP3   OH2 9490   1.881   6.364   3.352  0.4580  0.3646  0.0154
+ 2681TIP3    H1 9491   1.830   6.374   3.432  0.6584  1.8456 -0.0153
+ 2681TIP3    H2 9492   1.891   6.454   3.319  2.0770 -0.0311 -0.6095
+ 2682TIP3   OH2 9493   3.218   1.792   6.695 -0.0656  0.3014  0.2824
+ 2682TIP3    H1 9494   3.169   1.815   6.774 -0.2848 -0.6587  0.4237
+ 2682TIP3    H2 9495   3.215   1.697   6.692 -0.8622  0.3652 -1.3866
+ 2683TIP3   OH2 9496   4.382   4.710   1.344 -0.0187 -0.0544  0.2185
+ 2683TIP3    H1 9497   4.477   4.700   1.357 -0.2588  1.0103  3.3896
+ 2683TIP3    H2 9498   4.366   4.803   1.362 -1.7689 -0.4147  0.6222
+ 2684TIP3   OH2 9499   6.769   5.326   3.842  0.0915 -0.1163 -0.2219
+ 2684TIP3    H1 9500   6.783   5.357   3.931 -1.3261  1.4406 -0.5220
+ 2684TIP3    H2 9501   6.760   5.231   3.851  0.9339 -0.0782  1.1587
+ 2685TIP3   OH2 9502   0.480   4.588   1.288 -0.0343 -0.1989  0.0062
+ 2685TIP3    H1 9503   0.419   4.578   1.361 -1.8027  3.6363 -0.7844
+ 2685TIP3    H2 9504   0.525   4.671   1.305  1.4108 -0.5495 -1.9362
+ 2686TIP3   OH2 9505   5.767   4.858   1.518  0.1027 -0.0349 -0.3602
+ 2686TIP3    H1 9506   5.773   4.814   1.602  1.1941 -1.6928 -1.2795
+ 2686TIP3    H2 9507   5.772   4.788   1.453 -4.5597  0.7996 -1.8175
+ 2687TIP3   OH2 9508   4.237   5.333   6.048 -0.1560  0.1033  0.3148
+ 2687TIP3    H1 9509   4.190   5.267   5.997 -0.5463  1.5433 -1.2467
+ 2687TIP3    H2 9510   4.182   5.347   6.126 -0.2857 -1.0779  0.4400
+ 2688TIP3   OH2 9511   2.939   6.832   0.120 -0.1858 -0.2367 -0.1004
+ 2688TIP3    H1 9512   3.010   6.872   0.069  1.0568 -0.6210  1.2865
+ 2688TIP3    H2 9513   2.889   6.907   0.154 -0.0283  0.0544 -0.5028
+ 2689TIP3   OH2 9514   2.694   5.907   0.724  0.2100 -0.2388 -0.0528
+ 2689TIP3    H1 9515   2.685   5.815   0.701  0.1974 -0.0964 -0.6164
+ 2689TIP3    H2 9516   2.732   5.906   0.813  0.5134 -0.7819 -0.1869
+ 2690TIP3   OH2 9517   2.267   5.663   0.912  0.2267 -0.3812  0.5773
+ 2690TIP3    H1 9518   2.236   5.575   0.931  1.8610 -0.5951  2.4291
+ 2690TIP3    H2 9519   2.304   5.657   0.824 -1.1264 -1.1287  0.0456
+ 2691TIP3   OH2 9520   3.996   0.741   0.174 -0.0372  0.2104  0.0371
+ 2691TIP3    H1 9521   3.986   0.677   0.245  1.6449 -0.7271 -0.5214
+ 2691TIP3    H2 9522   4.088   0.767   0.179 -0.7142  2.6242  0.2483
+ 2692TIP3   OH2 9523   3.297   4.703   4.303 -0.2950  0.8132 -0.1317
+ 2692TIP3    H1 9524   3.311   4.759   4.380  0.6264  2.0477 -1.1798
+ 2692TIP3    H2 9525   3.380   4.705   4.257 -0.7844 -0.0948 -1.0618
+ 2693TIP3   OH2 9526   1.576   6.030   0.787  0.0404 -0.4688  0.2162
+ 2693TIP3    H1 9527   1.545   5.991   0.706 -1.5363 -1.7054  1.3857
+ 2693TIP3    H2 9528   1.517   5.996   0.855 -0.7850  3.1184  1.4298
+ 2694TIP3   OH2 9529   6.312   6.332   2.267  0.0907  0.0254 -0.0819
+ 2694TIP3    H1 9530   6.259   6.411   2.274  0.9133  0.8335 -2.4544
+ 2694TIP3    H2 9531   6.251   6.265   2.237 -0.1571  0.2887 -0.1699
+ 2695TIP3   OH2 9532   4.283   0.397   1.606  0.0621 -0.2330  0.7440
+ 2695TIP3    H1 9533   4.336   0.469   1.641 -0.2159 -0.5279  1.8069
+ 2695TIP3    H2 9534   4.256   0.426   1.519  0.6044  0.6120  0.8560
+ 2696TIP3   OH2 9535   4.013   0.374   6.718  0.0704 -0.3338 -0.5381
+ 2696TIP3    H1 9536   3.982   0.362   6.807  0.5761 -1.9117 -0.5587
+ 2696TIP3    H2 9537   4.048   0.463   6.716 -1.1072  0.1638  0.4689
+ 2697TIP3   OH2 9538   4.191   1.571   0.773  0.9483 -0.0665  0.2223
+ 2697TIP3    H1 9539   4.197   1.667   0.771 -1.0170  0.0733 -0.0289
+ 2697TIP3    H2 9540   4.217   1.544   0.685 -0.7911  0.4072 -0.4562
+ 2698TIP3   OH2 9541   2.833   5.408   1.129 -0.1727  0.1365 -0.2480
+ 2698TIP3    H1 9542   2.834   5.317   1.102 -0.3535 -0.4040  1.4900
+ 2698TIP3    H2 9543   2.766   5.412   1.198 -0.5641  1.6915 -0.6810
+ 2699TIP3   OH2 9544   2.769   5.970   1.455  0.5285  0.6397  0.0403
+ 2699TIP3    H1 9545   2.725   5.962   1.540  0.7766  1.7470  0.2811
+ 2699TIP3    H2 9546   2.712   5.925   1.394  1.0191 -1.3816  1.0310
+ 2700TIP3   OH2 9547   3.854   0.711   0.920 -0.2231  0.1938  0.3762
+ 2700TIP3    H1 9548   3.823   0.629   0.960 -0.2518 -0.4905 -1.0467
+ 2700TIP3    H2 9549   3.780   0.743   0.870  0.7114 -0.4207 -1.4283
+ 2701TIP3   OH2 9550   0.842   0.224   2.142 -0.1797 -0.6107  0.3791
+ 2701TIP3    H1 9551   0.811   0.250   2.229  0.2267  0.6566  0.1433
+ 2701TIP3    H2 9552   0.762   0.217   2.090 -0.4569 -1.7004  0.9272
+ 2702TIP3   OH2 9553   6.363   6.393   3.482 -0.2253  0.3549  0.1107
+ 2702TIP3    H1 9554   6.429   6.342   3.529  0.0106  0.4902 -0.0720
+ 2702TIP3    H2 9555   6.358   6.476   3.530  1.2870  1.1892 -1.1121
+ 2703TIP3   OH2 9556   2.066   6.580   1.486  0.1765 -0.1102 -0.4636
+ 2703TIP3    H1 9557   2.041   6.574   1.394 -1.4876  1.8851 -0.1737
+ 2703TIP3    H2 9558   2.151   6.623   1.485  1.5412 -2.6983 -1.1925
+ 2704TIP3   OH2 9559   4.928   0.326   1.121  0.3401 -0.1549  0.4262
+ 2704TIP3    H1 9560   4.989   0.263   1.160  0.7213  0.0060  0.0773
+ 2704TIP3    H2 9561   4.886   0.368   1.196 -1.2787 -2.1420  0.7037
+ 2705TIP3   OH2 9562   2.157   5.407   0.922  0.1745  0.3905 -0.2060
+ 2705TIP3    H1 9563   2.151   5.394   0.827  1.0620 -0.2702 -0.1738
+ 2705TIP3    H2 9564   2.075   5.371   0.957 -0.3378  1.0165 -0.7594
+ 2706TIP3   OH2 9565   5.578   6.114   2.683 -0.0691  0.4932  0.1534
+ 2706TIP3    H1 9566   5.597   6.208   2.689 -0.5176  0.5319  1.0055
+ 2706TIP3    H2 9567   5.567   6.086   2.774  0.0580 -0.3845 -0.1021
+ 2707TIP3   OH2 9568   1.348   6.719   4.020  0.6241  0.6249 -0.3328
+ 2707TIP3    H1 9569   1.420   6.718   4.084  2.5841  0.0632 -2.4542
+ 2707TIP3    H2 9570   1.344   6.810   3.990  1.4245  0.3855 -1.2166
+ 2708TIP3   OH2 9571   1.530   5.044   1.704 -0.7225  0.1592 -0.2013
+ 2708TIP3    H1 9572   1.439   5.015   1.695 -0.5272 -0.3761 -0.4701
+ 2708TIP3    H2 9573   1.559   5.064   1.615  0.0261 -1.5348 -0.3635
+ 2709TIP3   OH2 9574   5.394   2.969   1.234  0.3846 -0.3535 -0.3607
+ 2709TIP3    H1 9575   5.369   2.950   1.144  0.2450  1.4065 -0.7093
+ 2709TIP3    H2 9576   5.348   2.902   1.286 -3.3061  1.4029 -1.1813
+ 2710TIP3   OH2 9577   3.761   6.330   5.771  0.6213  0.3714 -0.2735
+ 2710TIP3    H1 9578   3.690   6.319   5.707  0.4677  0.6415 -0.1469
+ 2710TIP3    H2 9579   3.823   6.261   5.748 -0.4383 -0.9149  0.6306
+ 2711TIP3   OH2 9580   3.540   6.335   1.425  0.3135  0.1803 -0.1870
+ 2711TIP3    H1 9581   3.512   6.352   1.335  1.1755 -2.2468 -0.9627
+ 2711TIP3    H2 9582   3.461   6.305   1.470  0.5915 -2.0686 -1.1186
+ 2712TIP3   OH2 9583   4.044   0.206   1.912  0.3105 -0.4012  0.0674
+ 2712TIP3    H1 9584   3.989   0.252   1.849 -0.0318 -0.4700  0.3166
+ 2712TIP3    H2 9585   4.046   0.264   1.988  1.4511  0.1015 -0.3354
+ 2713TIP3   OH2 9586   2.813   1.135   3.781 -0.5408  0.9440  0.1539
+ 2713TIP3    H1 9587   2.878   1.133   3.851  0.0570 -1.4654 -0.4075
+ 2713TIP3    H2 9588   2.862   1.163   3.703 -0.0835 -1.0554 -0.3107
+ 2714TIP3   OH2 9589   3.639   1.566   0.241  0.4065  0.0362 -0.4057
+ 2714TIP3    H1 9590   3.735   1.564   0.246  0.3905  1.3190  1.0629
+ 2714TIP3    H2 9591   3.620   1.637   0.180  0.3890  0.9299  0.6260
+ 2715TIP3   OH2 9592   3.429   5.722   1.814  0.0840 -0.0667 -0.1162
+ 2715TIP3    H1 9593   3.355   5.673   1.780 -0.8741  0.5756  1.0164
+ 2715TIP3    H2 9594   3.418   5.810   1.779  0.0710  0.1481  0.4341
+ 2716TIP3   OH2 9595   2.975   6.143   1.538  0.3660 -0.3649  0.0291
+ 2716TIP3    H1 9596   2.976   6.197   1.459  0.1325  0.5650  0.6500
+ 2716TIP3    H2 9597   2.921   6.068   1.515  1.7427 -0.9790 -1.2681
+ 2717TIP3   OH2 9598   4.323   0.837   1.347  0.0583 -0.3972 -0.0924
+ 2717TIP3    H1 9599   4.232   0.811   1.364 -0.4276  0.5044 -1.2865
+ 2717TIP3    H2 9600   4.330   0.841   1.252  0.7087  1.7402  0.0183
+ 2718TIP3   OH2 9601   3.548   6.401   1.124 -0.0574 -0.2151  0.1534
+ 2718TIP3    H1 9602   3.481   6.357   1.072 -1.0609 -0.9209  2.0022
+ 2718TIP3    H2 9603   3.547   6.492   1.094 -1.3088 -0.3991 -0.3603
+ 2719TIP3   OH2 9604   2.158   5.115   1.783  0.2692 -0.2343  0.0877
+ 2719TIP3    H1 9605   2.064   5.134   1.782  0.2455 -0.3668 -0.2885
+ 2719TIP3    H2 9606   2.165   5.031   1.829  0.0571 -0.9883 -1.2367
+ 2720TIP3   OH2 9607   4.364   4.871   0.487  0.3541  0.2993 -0.0266
+ 2720TIP3    H1 9608   4.375   4.859   0.582  0.3244 -0.4086 -0.1158
+ 2720TIP3    H2 9609   4.345   4.965   0.478 -0.3829  0.2302  0.7304
+ 2721TIP3   OH2 9610   2.385   4.708   4.628 -0.5883  0.2139 -0.0055
+ 2721TIP3    H1 9611   2.329   4.779   4.660 -0.8184 -0.2105  0.5281
+ 2721TIP3    H2 9612   2.444   4.688   4.701  0.8279  1.2201 -0.8393
+ 2722TIP3   OH2 9613   3.694   6.629   0.169  0.0564 -0.1923  0.1747
+ 2722TIP3    H1 9614   3.678   6.695   0.237 -3.0220 -1.0499  0.3689
+ 2722TIP3    H2 9615   3.674   6.545   0.212 -0.0561 -0.9032 -1.2232
+ 2723TIP3   OH2 9616   2.679   5.981   1.724  0.0616  0.1437 -0.0519
+ 2723TIP3    H1 9617   2.719   5.916   1.782  2.6954  1.5949 -0.1692
+ 2723TIP3    H2 9618   2.656   6.053   1.782 -0.0248  0.3738 -0.3732
+ 2724TIP3   OH2 9619   2.700   5.278   2.402 -0.4458 -0.1950 -0.3485
+ 2724TIP3    H1 9620   2.667   5.213   2.339 -2.5836  0.7200 -0.2289
+ 2724TIP3    H2 9621   2.745   5.343   2.348  0.7300 -1.1868 -0.5786
+ 2725TIP3   OH2 9622   1.826   4.594   1.856  0.1849  0.3218 -0.1539
+ 2725TIP3    H1 9623   1.812   4.688   1.852  0.9160  0.4635  0.3302
+ 2725TIP3    H2 9624   1.788   4.560   1.776 -1.7852  0.8052  0.5428
+ 2726TIP3   OH2 9625   3.111   0.332   0.872  0.3377  0.2890 -0.4747
+ 2726TIP3    H1 9626   3.070   0.381   0.944 -0.3300  0.5954 -1.0509
+ 2726TIP3    H2 9627   3.038   0.285   0.831  0.8051 -0.3278 -0.5972
+ 2727TIP3   OH2 9628   5.870   0.143   2.813  0.5685  0.1020  0.1363
+ 2727TIP3    H1 9629   5.870   0.196   2.892  0.6641  0.2273  0.0544
+ 2727TIP3    H2 9630   5.957   0.103   2.811  0.4858 -0.0796  0.2137
+ 2728TIP3   OH2 9631   2.735   6.143   3.488 -0.0746  0.1864  0.4984
+ 2728TIP3    H1 9632   2.679   6.181   3.420  0.8652  1.0488  0.1931
+ 2728TIP3    H2 9633   2.787   6.217   3.520  0.5709 -0.5192  1.0951
+ 2729TIP3   OH2 9634   2.890   6.161   1.027  0.4495 -0.5927 -0.5719
+ 2729TIP3    H1 9635   2.816   6.104   1.048  2.0921 -2.4873  0.2656
+ 2729TIP3    H2 9636   2.862   6.209   0.949 -1.1986 -2.1499 -0.9714
+ 2730TIP3   OH2 9637   1.991   3.879   1.884 -0.3260 -0.4126  0.0657
+ 2730TIP3    H1 9638   2.087   3.873   1.878 -0.1095  0.7276  2.2046
+ 2730TIP3    H2 9639   1.972   3.971   1.866 -0.7264  0.0813  2.8094
+ 2731TIP3   OH2 9640   3.471   1.872   1.105 -0.3467  0.1846 -0.5571
+ 2731TIP3    H1 9641   3.452   1.781   1.126  0.6500  0.2329  0.5952
+ 2731TIP3    H2 9642   3.555   1.870   1.060 -0.4406  0.5224 -0.7564
+ 2732TIP3   OH2 9643   4.889   0.164   6.604 -0.0067  0.1889  0.4397
+ 2732TIP3    H1 9644   4.805   0.179   6.649 -0.6661  0.0303 -0.7361
+ 2732TIP3    H2 9645   4.932   0.249   6.607  0.0795  0.1217  1.6122
+ 2733TIP3   OH2 9646   1.478   5.204   0.174 -0.1631 -0.0067 -0.4272
+ 2733TIP3    H1 9647   1.399   5.158   0.205  0.5099 -1.5381 -0.9754
+ 2733TIP3    H2 9648   1.519   5.144   0.113  0.4512  1.5585 -1.5931
+ 2734TIP3   OH2 9649   2.145   4.157   2.409  0.1293  0.7240 -0.1288
+ 2734TIP3    H1 9650   2.059   4.156   2.367 -0.0034 -0.0514  0.1478
+ 2734TIP3    H2 9651   2.164   4.250   2.423  0.2452  1.0095 -2.0189
+ 2735TIP3   OH2 9652   3.689   6.575   2.843  0.3898  0.1730 -0.0909
+ 2735TIP3    H1 9653   3.625   6.558   2.774  2.0695  0.3020 -1.7498
+ 2735TIP3    H2 9654   3.773   6.578   2.796  1.1612  4.3453  1.3145
+ 2736TIP3   OH2 9655   2.494   0.283   0.617 -0.6174  0.6530 -0.9002
+ 2736TIP3    H1 9656   2.465   0.334   0.542 -0.3846 -0.8413 -2.0451
+ 2736TIP3    H2 9657   2.528   0.202   0.578  1.6970  0.8419  0.6413
+ 2737TIP3   OH2 9658   2.220   6.729   4.728  0.0511  0.8238  0.0590
+ 2737TIP3    H1 9659   2.303   6.770   4.751  0.2846  1.5787 -2.0860
+ 2737TIP3    H2 9660   2.207   6.749   4.635 -0.2266 -3.2822 -0.8718
+ 2738TIP3   OH2 9661   5.319   6.260   5.355 -0.1449 -0.4528 -0.1048
+ 2738TIP3    H1 9662   5.350   6.317   5.425  0.6346 -1.1827  0.1507
+ 2738TIP3    H2 9663   5.223   6.260   5.365 -0.2153  1.3428 -0.5367
+ 2739TIP3   OH2 9664   3.641   5.102   2.778 -0.0107  0.4507 -0.5563
+ 2739TIP3    H1 9665   3.651   5.191   2.811 -0.4344  0.2429  0.1378
+ 2739TIP3    H2 9666   3.730   5.075   2.754  0.5905  0.0050  1.9835
+ 2740TIP3   OH2 9667   4.987   6.761   0.821  0.0053 -0.3493  0.0918
+ 2740TIP3    H1 9668   5.072   6.745   0.864  0.3684 -0.1684 -0.5472
+ 2740TIP3    H2 9669   4.935   6.806   0.887 -0.7985 -3.5069  1.6920
+ 2741TIP3   OH2 9670   1.798   5.751   1.170 -0.1740 -0.5880 -0.1612
+ 2741TIP3    H1 9671   1.796   5.820   1.104  0.6815 -0.8839 -0.5129
+ 2741TIP3    H2 9672   1.875   5.772   1.224 -0.4292 -0.7647  0.2698
+ 2742TIP3   OH2 9673   4.746   4.479   2.049  0.5164 -0.6735  0.2444
+ 2742TIP3    H1 9674   4.713   4.568   2.051  0.6320 -0.6291  0.1853
+ 2742TIP3    H2 9675   4.753   4.458   1.956 -1.3807 -1.4371  0.2655
+ 2743TIP3   OH2 9676   2.253   6.330   6.415  0.1996 -0.6861 -0.1010
+ 2743TIP3    H1 9677   2.169   6.296   6.385 -0.2042  1.4698 -1.5322
+ 2743TIP3    H2 9678   2.242   6.425   6.415  2.6594 -0.3603 -0.3619
+ 2744TIP3   OH2 9679   2.638   6.728   2.892 -0.4618 -0.5515 -0.4686
+ 2744TIP3    H1 9680   2.726   6.708   2.860 -0.7477 -1.4135 -0.7327
+ 2744TIP3    H2 9681   2.600   6.783   2.825 -0.2896 -0.5733 -0.5848
+ 2745TIP3   OH2 9682   4.117   6.306   0.794  0.3573  0.1220  0.2169
+ 2745TIP3    H1 9683   4.118   6.210   0.785 -2.2052  0.1388 -0.6973
+ 2745TIP3    H2 9684   4.148   6.322   0.883  2.4991 -1.4544 -0.2134
+ 2746TIP3   OH2 9685   3.749   5.171   1.623 -0.9351 -0.3970  0.3465
+ 2746TIP3    H1 9686   3.826   5.220   1.650 -0.2877 -0.6567 -1.0253
+ 2746TIP3    H2 9687   3.709   5.142   1.706 -0.0548  0.4646  1.0803
+ 2747TIP3   OH2 9688   4.028   6.581   1.912  0.3087  0.3703  0.2444
+ 2747TIP3    H1 9689   4.008   6.489   1.895  0.6196  0.3647 -0.0916
+ 2747TIP3    H2 9690   3.958   6.629   1.868 -0.1697  0.2755  0.9008
+ 2748TIP3   OH2 9691   5.286   6.392   2.039  0.1247  0.7050 -0.5935
+ 2748TIP3    H1 9692   5.251   6.451   2.106 -1.6530  0.1899 -1.0449
+ 2748TIP3    H2 9693   5.269   6.304   2.073  3.0726  0.3873  0.2444
+ 2749TIP3   OH2 9694   1.201   5.667   3.518 -0.4523 -0.0454 -0.7157
+ 2749TIP3    H1 9695   1.246   5.751   3.516 -0.1509 -0.1585  0.5803
+ 2749TIP3    H2 9696   1.246   5.613   3.454  0.4524  0.2446 -0.3272
+ 2750TIP3   OH2 9697   2.961   5.541   0.388  0.3249  0.2537 -0.1016
+ 2750TIP3    H1 9698   3.005   5.625   0.403  1.1361 -0.5344  2.0845
+ 2750TIP3    H2 9699   2.965   5.529   0.293  0.9961  2.2675 -0.3525
+ 2751TIP3   OH2 9700   3.603   0.469   1.442 -0.5459  0.3649  0.0469
+ 2751TIP3    H1 9701   3.603   0.375   1.426 -0.8047  0.3711  0.0209
+ 2751TIP3    H2 9702   3.578   0.478   1.534 -0.2178  0.3939  0.1371
+ 2752TIP3   OH2 9703   4.878   6.515   0.507 -0.1865  0.3181  0.0744
+ 2752TIP3    H1 9704   4.945   6.584   0.503  0.7618 -0.6428 -0.6722
+ 2752TIP3    H2 9705   4.844   6.521   0.596  1.5097  0.2531  0.7499
+ 2753TIP3   OH2 9706   4.304   6.180   0.194 -0.1073  0.7741 -0.3894
+ 2753TIP3    H1 9707   4.345   6.265   0.205  1.4447 -0.1188  0.9218
+ 2753TIP3    H2 9708   4.376   6.119   0.178 -1.0657 -0.5077  0.0001
+ 2754TIP3   OH2 9709   4.582   5.995   6.046  0.4835  0.2968 -0.0188
+ 2754TIP3    H1 9710   4.536   6.029   6.123 -0.6254 -0.1291 -0.4794
+ 2754TIP3    H2 9711   4.616   5.910   6.073  0.6778  0.4505  0.2145
+ 2755TIP3   OH2 9712   4.241   6.823   0.602 -0.0270 -0.3286  0.1701
+ 2755TIP3    H1 9713   4.213   6.747   0.653  0.5977 -1.6406 -1.4146
+ 2755TIP3    H2 9714   4.303   6.788   0.538 -0.1814  1.4188 -0.9711
+ 2756TIP3   OH2 9715   4.773   5.752   2.773 -0.0057 -0.4356  0.0476
+ 2756TIP3    H1 9716   4.742   5.727   2.687 -1.3814  1.2951  0.0078
+ 2756TIP3    H2 9717   4.865   5.778   2.759 -0.4037  0.4419 -1.0232
+ 2757TIP3   OH2 9718   5.402   6.233   0.133 -0.0442 -0.1748 -0.4954
+ 2757TIP3    H1 9719   5.433   6.269   0.050 -0.0952  0.4393 -0.2507
+ 2757TIP3    H2 9720   5.481   6.201   0.177  0.0823  0.1985 -0.4481
+ 2758TIP3   OH2 9721   2.308   4.418   2.760  0.3377 -0.2289  0.0641
+ 2758TIP3    H1 9722   2.264   4.340   2.726  0.4315 -0.7510  1.1310
+ 2758TIP3    H2 9723   2.254   4.446   2.834  1.6526 -0.7197  1.2168
+ 2759TIP3   OH2 9724   5.199   4.971   1.494 -0.0261  0.0886  0.6010
+ 2759TIP3    H1 9725   5.239   5.000   1.412 -0.2789  0.8181  0.7239
+ 2759TIP3    H2 9726   5.119   4.926   1.467  0.1209 -0.0611  0.4214
+ 2760TIP3   OH2 9727   4.009   6.766   3.151  0.2149  0.0753  0.0096
+ 2760TIP3    H1 9728   4.066   6.842   3.151  0.1972  0.0878 -0.4029
+ 2760TIP3    H2 9729   4.036   6.715   3.074 -0.8515  0.4705 -0.6358
+ 2761TIP3   OH2 9730   5.415   1.396   0.443 -0.3339  0.4231 -0.1442
+ 2761TIP3    H1 9731   5.492   1.361   0.489 -1.6505 -0.1136  1.7140
+ 2761TIP3    H2 9732   5.367   1.319   0.415 -1.5588  0.7288  1.0669
+ 2762TIP3   OH2 9733   4.593   6.523   6.486  0.5113  0.3306  0.1093
+ 2762TIP3    H1 9734   4.613   6.513   6.579  0.6727  0.8973  0.1334
+ 2762TIP3    H2 9735   4.671   6.564   6.449  0.2897  0.4668 -0.2058
+ 2763TIP3   OH2 9736   4.440   0.016   2.213  0.2976 -0.1874 -0.1110
+ 2763TIP3    H1 9737   4.429   0.045   2.122  0.4613  1.0514  0.2610
+ 2763TIP3    H2 9738   4.516  -0.042   2.210 -0.7552 -1.5695 -1.0751
+ 2764TIP3   OH2 9739   4.722   6.221   0.140  0.3953  0.9325  0.0244
+ 2764TIP3    H1 9740   4.677   6.268   0.211 -0.2428  3.3777 -1.9440
+ 2764TIP3    H2 9741   4.814   6.225   0.164  0.1365  1.2739  0.9975
+ 2765TIP3   OH2 9742   0.056   1.084   2.272  0.0306 -0.3949 -0.6564
+ 2765TIP3    H1 9743   0.024   1.003   2.234 -3.0674  0.5007 -0.1158
+ 2765TIP3    H2 9744   0.050   1.071   2.366 -1.7131  0.8445 -0.5532
+ 2766TIP3   OH2 9745   2.331   1.064   3.466  0.1927  0.6932 -0.3024
+ 2766TIP3    H1 9746   2.267   1.044   3.397  0.2518 -1.6626  0.2852
+ 2766TIP3    H2 9747   2.416   1.061   3.421  0.3455 -2.2723  0.1288
+ 2767TIP3   OH2 9748   4.121   5.166   5.690 -0.4992  0.1533 -0.1560
+ 2767TIP3    H1 9749   4.161   5.135   5.609 -0.5347  1.5927 -0.7323
+ 2767TIP3    H2 9750   4.105   5.259   5.676 -2.1860  0.0504  0.8112
+ 2768TIP3   OH2 9751   3.556   0.087   0.678 -0.5176 -0.0644  0.0117
+ 2768TIP3    H1 9752   3.543   0.047   0.764 -2.2117 -0.5840 -0.4558
+ 2768TIP3    H2 9753   3.649   0.074   0.659 -0.4808 -1.4278  1.0423
+ 2769TIP3   OH2 9754   2.886   3.377   1.883  0.3062  0.2266 -0.1231
+ 2769TIP3    H1 9755   2.820   3.394   1.816  0.7652 -1.7436 -1.1059
+ 2769TIP3    H2 9756   2.885   3.455   1.938 -0.2697  1.7745 -2.2716
+ 2770TIP3   OH2 9757   4.974   5.920   0.751 -0.5736  0.1403  0.1311
+ 2770TIP3    H1 9758   4.905   5.853   0.747 -0.2884 -0.3018  2.2306
+ 2770TIP3    H2 9759   5.037   5.893   0.684 -1.1815 -0.8536 -0.0518
+ 2771TIP3   OH2 9760   3.476   5.669   0.209  0.1739  0.0376  0.1272
+ 2771TIP3    H1 9761   3.382   5.686   0.194  0.1270  0.0006  0.3838
+ 2771TIP3    H2 9762   3.500   5.607   0.141 -0.4683 -1.5408  1.3284
+ 2772TIP3   OH2 9763   1.352   6.568   0.474  0.0384 -0.4251 -0.4901
+ 2772TIP3    H1 9764   1.303   6.646   0.448 -1.2265 -0.9672  0.2174
+ 2772TIP3    H2 9765   1.444   6.591   0.457 -0.3141  1.1912 -0.3414
+ 2773TIP3   OH2 9766   3.551   0.471   1.710 -0.3435  0.4503  0.0285
+ 2773TIP3    H1 9767   3.459   0.486   1.734 -0.0768  1.7545  0.2627
+ 2773TIP3    H2 9768   3.565   0.378   1.726 -0.9802  0.7049  2.2275
+ 2774TIP3   OH2 9769   3.592   6.764   1.911  0.9220  0.2183 -0.2781
+ 2774TIP3    H1 9770   3.581   6.704   1.985  3.2767 -1.1097 -0.9277
+ 2774TIP3    H2 9771   3.659   6.826   1.940  0.7924  0.5884 -0.7662
+ 2775TIP3   OH2 9772   4.727   4.101   0.425  0.1478  0.3420  0.1730
+ 2775TIP3    H1 9773   4.671   4.063   0.357 -0.4339 -1.4681  1.6095
+ 2775TIP3    H2 9774   4.667   4.115   0.499  0.6629  2.7530  0.1750
+ 2776TIP3   OH2 9775   2.698   4.851   2.124 -0.6045  0.6360  0.5328
+ 2776TIP3    H1 9776   2.766   4.789   2.151  0.8470  1.7059 -0.5845
+ 2776TIP3    H2 9777   2.642   4.799   2.066  0.1855  0.1497  0.1767
+ 2777TIP3   OH2 9778   3.550   3.878   2.001  0.0315 -0.2493 -1.0900
+ 2777TIP3    H1 9779   3.576   3.917   1.917 -0.5427 -0.1961 -1.2420
+ 2777TIP3    H2 9780   3.536   3.953   2.059 -3.0905 -0.1060 -1.9552
+ 2778TIP3   OH2 9781   3.541   0.252   6.719  0.1447 -0.0556 -0.2978
+ 2778TIP3    H1 9782   3.499   0.166   6.725  3.1187 -1.5325  0.5225
+ 2778TIP3    H2 9783   3.608   0.240   6.651 -0.6618  2.1889 -1.5141
+ 2779TIP3   OH2 9784   0.532   0.444   0.470 -0.1147 -0.2060 -0.4362
+ 2779TIP3    H1 9785   0.571   0.433   0.557 -2.8421  0.1501  0.8885
+ 2779TIP3    H2 9786   0.457   0.501   0.484  0.2866  1.1527 -3.3270
+ 2780TIP3   OH2 9787   3.359   6.256   5.089 -0.2169  0.4505 -0.1903
+ 2780TIP3    H1 9788   3.366   6.337   5.140  0.2259  0.8908 -0.9334
+ 2780TIP3    H2 9789   3.443   6.212   5.102  0.3610  1.1279 -1.4496
+ 2781TIP3   OH2 9790   3.896   5.620   1.897 -0.0696  0.1622 -0.3589
+ 2781TIP3    H1 9791   3.961   5.669   1.947  0.5950  2.2103 -3.1284
+ 2781TIP3    H2 9792   3.821   5.680   1.891 -0.2650 -0.1944 -1.5272
+ 2782TIP3   OH2 9793   1.987   1.022   5.011  0.0690  0.4565  0.6419
+ 2782TIP3    H1 9794   2.044   1.097   5.029  1.0233 -0.2709  0.7204
+ 2782TIP3    H2 9795   2.044   0.959   4.967 -0.8879  0.0404 -0.0109
+ 2783TIP3   OH2 9796   0.139   4.549   4.983  0.1873 -0.9692  0.9482
+ 2783TIP3    H1 9797   0.195   4.587   4.914 -1.2334  0.8936  0.7684
+ 2783TIP3    H2 9798   0.199   4.532   5.055  1.1326  0.2883  0.4907
+ 2784TIP3   OH2 9799   3.171   5.426   0.673 -0.3805 -0.1199  0.0793
+ 2784TIP3    H1 9800   3.204   5.507   0.712 -1.7086  0.1343  0.6997
+ 2784TIP3    H2 9801   3.077   5.440   0.664 -0.5576 -1.4258 -0.2236
+ 2785TIP3   OH2 9802   1.829   5.149   1.954  0.2213  0.2654  0.8240
+ 2785TIP3    H1 9803   1.849   5.169   1.863  1.2958  1.7373  1.3621
+ 2785TIP3    H2 9804   1.822   5.054   1.957 -0.0032  0.2226 -0.8268
+ 2786TIP3   OH2 9805   2.963   0.361   2.921  0.0201 -0.1758  0.8693
+ 2786TIP3    H1 9806   2.966   0.322   2.834 -0.3931  0.1667  0.6989
+ 2786TIP3    H2 9807   3.002   0.448   2.910 -1.1282  0.3324  0.7707
+ 2787TIP3   OH2 9808   4.641   3.305   1.601  0.2838  0.6912 -0.0610
+ 2787TIP3    H1 9809   4.642   3.276   1.510  0.4801  0.0855  0.1320
+ 2787TIP3    H2 9810   4.669   3.396   1.597  1.4221  0.3338 -0.5015
+ 2788TIP3   OH2 9811   0.386   6.325   6.160  0.2418  0.4595 -0.2545
+ 2788TIP3    H1 9812   0.468   6.375   6.170  0.0564  1.6389 -3.7722
+ 2788TIP3    H2 9813   0.318   6.392   6.164 -0.3530 -0.1508 -0.2385
+ 2789TIP3   OH2 9814   5.261   4.614   6.862  0.6639  0.2309  0.1291
+ 2789TIP3    H1 9815   5.176   4.593   6.900  0.7920  0.1058  0.3459
+ 2789TIP3    H2 9816   5.317   4.540   6.886  0.8689  0.3769  0.1014
+ 2790TIP3   OH2 9817   4.656   0.452   2.761 -0.3905 -0.0056 -0.6569
+ 2790TIP3    H1 9818   4.693   0.428   2.846 -2.6810 -0.8422  0.1596
+ 2790TIP3    H2 9819   4.662   0.372   2.709 -0.6658 -0.0304 -0.6522
+ 2791TIP3   OH2 9820   5.313   6.536   1.430  0.0192 -0.1813 -0.2066
+ 2791TIP3    H1 9821   5.299   6.448   1.464  2.2217  0.1396  1.7006
+ 2791TIP3    H2 9822   5.275   6.594   1.496  1.6117  0.3598  0.2688
+ 2792TIP3   OH2 9823   5.449   5.350   0.413 -0.1098 -0.1018  0.1541
+ 2792TIP3    H1 9824   5.408   5.432   0.442 -1.4241 -0.8431  0.4522
+ 2792TIP3    H2 9825   5.437   5.350   0.318  0.2196  0.2328  0.1149
+ 2793TIP3   OH2 9826   4.286   5.132   0.445  0.1717 -0.1790  0.2004
+ 2793TIP3    H1 9827   4.265   5.166   0.358  0.3570 -0.6247 -0.0169
+ 2793TIP3    H2 9828   4.281   5.209   0.503 -0.8162 -0.0472 -0.0573
+ 2794TIP3   OH2 9829   6.745   6.040   1.065  0.3954  0.6330 -0.3599
+ 2794TIP3    H1 9830   6.717   6.129   1.043 -1.7371 -0.2564 -1.4446
+ 2794TIP3    H2 9831   6.716   5.987   0.990  1.3305 -1.0305  0.4214
+ 2795TIP3   OH2 9832   4.213   1.219   1.460  0.5357 -0.3901 -0.0850
+ 2795TIP3    H1 9833   4.135   1.203   1.406 -1.2245  0.6676  2.0812
+ 2795TIP3    H2 9834   4.266   1.279   1.408 -0.3276 -0.7092 -1.3599
+ 2796TIP3   OH2 9835   6.759   4.447   2.086  0.0608 -0.3542 -0.1964
+ 2796TIP3    H1 9836   6.785   4.394   2.161  1.1667 -0.7108 -0.8098
+ 2796TIP3    H2 9837   6.668   4.425   2.070  0.4421 -1.8956 -0.2960
+ 2797TIP3   OH2 9838   3.081   6.738   1.312 -0.6583 -0.1655 -0.2290
+ 2797TIP3    H1 9839   3.114   6.828   1.320 -0.4270 -0.2592 -0.1241
+ 2797TIP3    H2 9840   2.986   6.748   1.313 -0.6379  0.0447  0.1872
+ 2798TIP3   OH2 9841   5.288   6.686   2.146 -0.2627 -0.3031 -0.2466
+ 2798TIP3    H1 9842   5.247   6.666   2.230  1.9217 -1.4650  0.5995
+ 2798TIP3    H2 9843   5.330   6.771   2.159  1.8876 -1.4567  0.5707
+ 2799TIP3   OH2 9844   2.304   6.576   0.091 -1.1015 -0.0255 -0.1356
+ 2799TIP3    H1 9845   2.277   6.511   0.156 -0.0360 -0.6332 -0.2718
+ 2799TIP3    H2 9846   2.296   6.660   0.137 -1.6219 -0.3298  0.3460
+ 2800TIP3   OH2 9847   3.205   1.094   1.995 -0.0708  0.0706  0.7947
+ 2800TIP3    H1 9848   3.292   1.060   1.973  0.2326  1.1933  0.2151
+ 2800TIP3    H2 9849   3.168   1.120   1.910 -0.9158 -0.2763  1.0559
+ 2801TIP3   OH2 9850   6.722   5.992   0.716 -0.4551 -0.0787  0.4921
+ 2801TIP3    H1 9851   6.752   5.946   0.637 -0.0813 -2.0723  1.7564
+ 2801TIP3    H2 9852   6.701   6.080   0.686  0.8921 -0.4370 -1.5912
+ 2802TIP3   OH2 9853   6.473   0.592   2.288  0.4512  0.1910 -0.0872
+ 2802TIP3    H1 9854   6.472   0.496   2.295  0.1836  0.1530 -0.6252
+ 2802TIP3    H2 9855   6.563   0.613   2.262  0.5580  0.0958  0.2079
+ 2803TIP3   OH2 9856   6.219   5.088   1.631 -0.1996 -0.3931 -0.7473
+ 2803TIP3    H1 9857   6.292   5.031   1.652 -0.8509 -1.0079 -0.1241
+ 2803TIP3    H2 9858   6.258   5.162   1.585  0.6596 -1.3107 -1.4993
+ 2804TIP3   OH2 9859   6.144   4.993   0.895  0.0182  0.2089 -0.2706
+ 2804TIP3    H1 9860   6.223   5.046   0.890  1.5998 -1.9479  0.8013
+ 2804TIP3    H2 9861   6.117   4.997   0.987  0.2942 -1.0074 -0.1272
+ 2805TIP3   OH2 9862   4.139   5.966   5.898 -0.9245 -0.0797  0.0008
+ 2805TIP3    H1 9863   4.098   5.888   5.861 -0.5507 -0.0940 -0.3877
+ 2805TIP3    H2 9864   4.233   5.946   5.897 -0.8643  0.1684  0.3854
+ 2806TIP3   OH2 9865   0.229   0.130   1.338  0.8424 -0.9090 -0.1183
+ 2806TIP3    H1 9866   0.141   0.166   1.332  0.4639 -1.4036  2.1353
+ 2806TIP3    H2 9867   0.229   0.079   1.419  3.5432  0.0518  0.5418
+ 2807TIP3   OH2 9868   5.150   6.058   0.997  0.1545  0.5582  0.0497
+ 2807TIP3    H1 9869   5.219   5.993   0.990 -0.7681 -0.8684  3.1855
+ 2807TIP3    H2 9870   5.075   6.018   0.953  0.3339  0.6339 -0.3273
+ 2808TIP3   OH2 9871   5.253   6.457   6.028  0.1755  0.0065  0.5740
+ 2808TIP3    H1 9872   5.339   6.446   5.988 -0.2404 -0.8053 -0.1136
+ 2808TIP3    H2 9873   5.258   6.408   6.110  0.0973 -0.7586  0.1248
+ 2809TIP3   OH2 9874   4.483   6.484   0.969 -0.3362  0.5094  0.4221
+ 2809TIP3    H1 9875   4.390   6.466   0.952  0.1528 -1.2421 -0.4762
+ 2809TIP3    H2 9876   4.491   6.480   1.064 -1.0913  0.1967  0.4791
+ 2810TIP3   OH2 9877   5.491   0.378   3.202 -0.1013  0.0138  0.0260
+ 2810TIP3    H1 9878   5.416   0.382   3.261 -0.1259 -0.4414  0.0212
+ 2810TIP3    H2 9879   5.456   0.398   3.116 -0.1297  0.2986  0.1017
+ 2811TIP3   OH2 9880   1.236   6.442   1.756 -0.1561 -0.3348 -0.0808
+ 2811TIP3    H1 9881   1.303   6.495   1.713 -0.1541 -0.3537 -0.1007
+ 2811TIP3    H2 9882   1.167   6.433   1.691 -0.0617 -0.5382 -0.1515
+ 2812TIP3   OH2 9883   5.852   0.692   3.185 -0.5180  0.2729 -0.2401
+ 2812TIP3    H1 9884   5.904   0.758   3.231  0.1342  0.3703 -1.1023
+ 2812TIP3    H2 9885   5.901   0.611   3.198  0.3255  0.5170 -1.7767
+ 2813TIP3   OH2 9886   3.596   0.172   1.474  0.1347  0.7418  0.0425
+ 2813TIP3    H1 9887   3.602   0.120   1.554  0.7478  2.0824  0.9026
+ 2813TIP3    H2 9888   3.678   0.155   1.428 -0.0407  0.2850 -0.1017
+ 2814TIP3   OH2 9889   5.429   6.373   6.801 -0.6637  0.5062 -0.0315
+ 2814TIP3    H1 9890   5.393   6.460   6.784 -0.7076  0.7093  1.0803
+ 2814TIP3    H2 9891   5.373   6.314   6.750 -1.5479  0.9828  0.3683
+ 2815TIP3   OH2 9892   5.705   5.251   0.403 -0.4419 -0.4517  0.3276
+ 2815TIP3    H1 9893   5.733   5.296   0.323 -0.5125 -0.5640  0.2393
+ 2815TIP3    H2 9894   5.624   5.296   0.428  0.3120  0.4854  1.1017
+ 2816TIP3   OH2 9895   5.484   0.595   2.137 -0.0227 -0.5462  0.0030
+ 2816TIP3    H1 9896   5.442   0.571   2.219 -0.3815  2.6977  0.8171
+ 2816TIP3    H2 9897   5.428   0.663   2.100  2.3795  1.0265 -0.8565
+ 2817TIP3   OH2 9898   1.552   3.811   0.643  0.3661 -0.8851  0.1405
+ 2817TIP3    H1 9899   1.639   3.787   0.612  0.5921 -0.0095  0.0817
+ 2817TIP3    H2 9900   1.563   3.825   0.737  1.3558  3.7586 -0.5356
+ 2818TIP3   OH2 9901   5.218   6.614   0.891  0.6079  0.0804 -0.6142
+ 2818TIP3    H1 9902   5.254   6.604   0.979 -1.5724  1.5756  0.5087
+ 2818TIP3    H2 9903   5.190   6.526   0.866 -2.6191  0.2817  1.9675
+ 2819TIP3   OH2 9904   4.644   6.153   5.809  0.6525  0.2037  0.4212
+ 2819TIP3    H1 9905   4.620   6.119   5.896  1.9089  2.5941  1.7276
+ 2819TIP3    H2 9906   4.563   6.192   5.776  0.4352  0.2318  0.9755
+ 2820TIP3   OH2 9907   5.912   6.414   3.308 -0.4758 -0.6888 -0.0199
+ 2820TIP3    H1 9908   5.925   6.323   3.281 -0.1969 -1.1570  1.6300
+ 2820TIP3    H2 9909   5.857   6.452   3.240 -0.7453 -2.1407 -0.6256
+ 2821TIP3   OH2 9910   3.184   5.460   6.792  0.2550 -0.5590 -0.6997
+ 2821TIP3    H1 9911   3.153   5.522   6.726 -0.5067 -0.3369 -0.1409
+ 2821TIP3    H2 9912   3.278   5.452   6.776  0.3457  0.6693 -0.8356
+ 2822TIP3   OH2 9913   0.245   6.835   2.610  0.3863 -0.0307  0.6659
+ 2822TIP3    H1 9914   0.325   6.873   2.573  0.8662 -0.3174  1.4014
+ 2822TIP3    H2 9915   0.276   6.775   2.678 -0.4321 -0.5465  0.5935
+ 2823TIP3   OH2 9916   5.326   0.740   6.329  0.2693 -0.1129  0.0071
+ 2823TIP3    H1 9917   5.281   0.712   6.409  1.7887  0.2460  1.0111
+ 2823TIP3    H2 9918   5.402   0.682   6.323  1.7177  1.6749  0.3962
+ 2824TIP3   OH2 9919   4.398   1.934   6.180 -0.1608 -0.2483  0.1732
+ 2824TIP3    H1 9920   4.416   1.915   6.273  0.5467 -1.6773 -0.2427
+ 2824TIP3    H2 9921   4.454   1.873   6.132 -2.0646 -0.9663 -1.1954
+ 2825TIP3   OH2 9922   4.905   4.710   1.005 -0.1806  0.0590  0.1008
+ 2825TIP3    H1 9923   4.880   4.631   0.956 -0.5417 -0.0055  0.3873
+ 2825TIP3    H2 9924   4.880   4.782   0.949 -0.2893 -0.0219  0.0452
+ 2826TIP3   OH2 9925   5.482   4.587   1.629 -0.2306 -0.0268 -0.2588
+ 2826TIP3    H1 9926   5.577   4.582   1.639 -0.1070  0.4495 -1.1345
+ 2826TIP3    H2 9927   5.468   4.581   1.534 -1.0130  0.9078 -0.2087
+ 2827TIP3   OH2 9928   5.972   4.934   1.793  0.4677  0.2341  0.4422
+ 2827TIP3    H1 9929   5.915   5.000   1.754  0.6482  0.2117  0.1368
+ 2827TIP3    H2 9930   6.036   4.984   1.844  1.0756  0.3413 -0.4105
+ 2828TIP3   OH2 9931   0.526   0.880   6.386 -0.5767 -0.4901  0.3640
+ 2828TIP3    H1 9932   0.599   0.885   6.324 -2.2167 -0.0388 -1.5953
+ 2828TIP3    H2 9933   0.513   0.786   6.400  0.2724 -0.5784  0.6037
+ 2829TIP3   OH2 9934   4.391   0.804   2.064  0.2811  0.0471  0.0308
+ 2829TIP3    H1 9935   4.444   0.777   1.989 -0.0109  0.2098 -0.2348
+ 2829TIP3    H2 9936   4.370   0.723   2.110  1.4458  0.0544  0.5918
+ 2830TIP3   OH2 9937   5.786   4.551   1.563  1.1458  0.3323  0.2132
+ 2830TIP3    H1 9938   5.853   4.486   1.540  0.7354 -0.1529  0.3684
+ 2830TIP3    H2 9939   5.780   4.545   1.658  0.4246 -0.0874  0.1444
+ 2831TIP3   OH2 9940   0.149   5.183   1.817  0.4781 -0.1995 -0.2767
+ 2831TIP3    H1 9941   0.167   5.109   1.759  3.5488 -1.1558  1.7828
+ 2831TIP3    H2 9942   0.099   5.145   1.889 -2.0451  0.7019 -1.4953
+ 2832TIP3   OH2 9943   3.939   6.550   5.595 -0.7395  0.0429  0.7687
+ 2832TIP3    H1 9944   3.856   6.572   5.636 -0.7806  1.4599 -0.0307
+ 2832TIP3    H2 9945   3.958   6.461   5.625 -1.4912  0.4876  2.6476
+ 2833TIP3   OH2 9946   3.764   6.728   2.532 -0.1734 -0.4139  0.0653
+ 2833TIP3    H1 9947   3.816   6.805   2.511 -1.8380  1.0571  1.2168
+ 2833TIP3    H2 9948   3.811   6.684   2.602 -0.6211  1.0704  1.3051
+ 2834TIP3   OH2 9949   4.249   5.192   0.156 -0.9670 -0.2490 -0.6104
+ 2834TIP3    H1 9950   4.213   5.106   0.136 -0.9189 -0.7561  1.3985
+ 2834TIP3    H2 9951   4.189   5.254   0.113 -0.9071 -1.2697 -2.1956
+ 2835TIP3   OH2 9952   6.702   6.905   2.412 -0.2961  0.1061  0.0192
+ 2835TIP3    H1 9953   6.749   6.907   2.329 -1.7109 -0.6318 -0.8305
+ 2835TIP3    H2 9954   6.624   6.853   2.393 -0.8468  0.3045  1.7017
+ 2836TIP3   OH2 9955   4.992   5.278   1.955  0.0457  0.1459  0.2527
+ 2836TIP3    H1 9956   4.978   5.208   1.891  0.3136  0.6278 -0.3336
+ 2836TIP3    H2 9957   5.072   5.252   2.001  1.2797  1.0315 -1.2980
+ 2837TIP3   OH2 9958   1.217   5.589   6.642 -0.0040  0.2758 -0.5902
+ 2837TIP3    H1 9959   1.155   5.617   6.710  0.2453  0.8739 -0.6130
+ 2837TIP3    H2 9960   1.217   5.660   6.578  1.3175  0.6517 -0.1838
+ 2838TIP3   OH2 9961   5.451   0.436   5.924 -0.7055  0.0200 -0.2717
+ 2838TIP3    H1 9962   5.390   0.418   5.996 -0.8446 -2.2793 -0.9200
+ 2838TIP3    H2 9963   5.459   0.531   5.923 -3.4381  0.3130  0.5222
+ 2839TIP3   OH2 9964   6.443   3.229   0.405 -0.2978  0.5248  0.2146
+ 2839TIP3    H1 9965   6.473   3.314   0.437 -1.0815  1.2567 -0.9469
+ 2839TIP3    H2 9966   6.491   3.216   0.323 -0.7163  0.1953  0.0200
+ 2840TIP3   OH2 9967   3.447   6.040   5.561 -0.2622 -0.2511  0.3144
+ 2840TIP3    H1 9968   3.402   5.958   5.583  0.4075 -0.9379 -0.8373
+ 2840TIP3    H2 9969   3.535   6.030   5.596  0.0264 -0.3120 -0.4090
+ 2841TIP3   OH2 9970   5.678   6.178   0.109 -0.6952 -0.0983  0.2181
+ 2841TIP3    H1 9971   5.706   6.224   0.029  0.4677 -0.9600  0.0987
+ 2841TIP3    H2 9972   5.686   6.085   0.086 -0.2315 -0.3512  1.3742
+ 2842TIP3   OH2 9973   5.028   6.383   0.754  0.1165 -0.7890 -0.7067
+ 2842TIP3    H1 9974   5.010   6.364   0.845  0.7099  0.3955 -0.3292
+ 2842TIP3    H2 9975   4.959   6.337   0.705 -1.8369  0.7870  0.4814
+ 2843TIP3   OH2 9976   4.351   5.533   0.192 -0.4618  0.5584  0.2287
+ 2843TIP3    H1 9977   4.363   5.474   0.119  0.7439  0.3108  0.6251
+ 2843TIP3    H2 9978   4.321   5.615   0.152  1.5917  0.8855 -0.6786
+ 2844TIP3   OH2 9979   3.222   1.338   2.781 -0.1477 -0.0210 -0.1644
+ 2844TIP3    H1 9980   3.202   1.298   2.696  1.1171 -0.3674 -0.3140
+ 2844TIP3    H2 9981   3.317   1.329   2.790 -0.5080 -1.7281  2.1894
+ 2845TIP3   OH2 9982   0.066   0.490   0.733  0.0500 -0.6431  0.3102
+ 2845TIP3    H1 9983   0.052   0.439   0.812  1.4800  0.4242  1.2872
+ 2845TIP3    H2 9984   0.080   0.580   0.764  0.9916 -0.2708 -1.1101
+ 2846TIP3   OH2 9985   4.608   1.122   1.631 -0.9326 -0.2433 -0.1584
+ 2846TIP3    H1 9986   4.529   1.070   1.616 -0.4356 -1.1711  0.3303
+ 2846TIP3    H2 9987   4.664   1.104   1.556 -1.0121  0.0712 -0.2929
+ 2847TIP3   OH2 9988   3.774   5.880   6.375  0.4976 -0.4079  0.1032
+ 2847TIP3    H1 9989   3.837   5.901   6.307  0.6515 -0.6831  0.1624
+ 2847TIP3    H2 9990   3.737   5.965   6.400 -0.5508 -0.4509 -1.2720
+ 2848TIP3   OH2 9991   4.737   5.634   2.164 -0.2819 -0.0217 -0.1793
+ 2848TIP3    H1 9992   4.759   5.542   2.148  2.0080  0.7893 -2.0005
+ 2848TIP3    H2 9993   4.816   5.671   2.204 -0.6549  1.4853 -0.8084
+ 2849TIP3   OH2 9994   5.782   6.101   1.512  0.1429  0.1620 -0.4304
+ 2849TIP3    H1 9995   5.833   6.182   1.516  0.6114 -0.0480 -1.7204
+ 2849TIP3    H2 9996   5.716   6.111   1.580  0.5724  1.3753 -0.1728
+ 2850TIP3   OH2 9997   5.582   0.110   1.094  0.4067 -0.4776 -0.1860
+ 2850TIP3    H1 9998   5.552   0.163   1.167 -0.1810  0.5087 -1.1450
+ 2850TIP3    H2 9999   5.665   0.150   1.068  0.0472 -0.1277 -0.7993
+ 2851TIP3   OH210000   4.778   6.412   2.124  0.0737 -0.1430  0.3605
+ 2851TIP3    H110001   4.707   6.436   2.064  0.1260 -0.8379  0.0143
+ 2851TIP3    H210002   4.800   6.322   2.100  4.3138  1.5490 -2.7634
+ 2852TIP3   OH210003   4.162   5.428   5.651  0.1026  0.4059  0.0862
+ 2852TIP3    H110004   4.234   5.440   5.714  0.9554 -2.0182 -0.3525
+ 2852TIP3    H210005   4.185   5.484   5.577  0.6189  1.0136  0.6957
+ 2853TIP3   OH210006   1.252   4.337   2.403  0.1088 -0.2971  0.0459
+ 2853TIP3    H110007   1.319   4.400   2.428 -0.1712  0.1465 -0.3034
+ 2853TIP3    H210008   1.178   4.355   2.461 -0.1032 -0.0579 -0.2915
+ 2854TIP3   OH210009   5.581   0.419   0.220  0.3698 -0.5855 -0.3382
+ 2854TIP3    H110010   5.623   0.348   0.269  0.8329 -1.6083 -2.1703
+ 2854TIP3    H210011   5.520   0.375   0.161 -0.2440  0.6332 -0.6391
+ 2855TIP3   OH210012   1.082   1.400   0.778  0.0976  0.5388 -0.2947
+ 2855TIP3    H110013   1.145   1.440   0.838 -1.1319  1.4610  0.4052
+ 2855TIP3    H210014   0.999   1.404   0.825  0.0157 -3.3854  0.0619
+ 2856TIP3   OH210015   4.715   0.641   6.743  0.6741 -0.6654  0.0613
+ 2856TIP3    H110016   4.700   0.627   6.649 -0.6502 -0.3596  0.2112
+ 2856TIP3    H210017   4.663   0.573   6.786 -0.2194  0.3299  0.6025
+ 2857TIP3   OH210018   4.216   1.102   5.709  0.1129 -0.4409  0.0589
+ 2857TIP3    H110019   4.239   1.020   5.665  0.3936 -1.8185  2.6748
+ 2857TIP3    H210020   4.288   1.162   5.688  0.4548 -1.2131 -0.9853
+ 2858TIP3   OH210021   4.888   5.971   0.038 -0.4658  0.0901 -0.0581
+ 2858TIP3    H110022   4.946   6.043   0.012 -1.3165  0.3928 -1.1692
+ 2858TIP3    H210023   4.850   5.940  -0.045 -0.3832 -1.4071  0.4379
+ 2859TIP3   OH210024   3.734   5.851   2.214  0.0851  0.1580 -0.2993
+ 2859TIP3    H110025   3.749   5.829   2.122  2.3445  1.2013 -0.2239
+ 2859TIP3    H210026   3.661   5.912   2.212 -1.5776 -1.8007 -1.1434
+ 2860TIP3   OH210027   6.591   5.028   6.859 -0.1991 -0.1400  0.0118
+ 2860TIP3    H110028   6.648   5.035   6.782 -0.6037  1.3094 -0.1804
+ 2860TIP3    H210029   6.520   5.091   6.842 -0.7283 -0.3987  1.1979
+ 2861TIP3   OH210030   2.622   5.460   0.938  0.2308  0.3316  0.0605
+ 2861TIP3    H110031   2.704   5.468   0.987 -0.5990 -0.9740  1.7341
+ 2861TIP3    H210032   2.645   5.411   0.859  0.7382 -1.7656  1.4645
+ 2862TIP3   OH210033   3.664   5.935   5.055 -0.1836 -0.6642 -0.5265
+ 2862TIP3    H110034   3.721   5.979   4.992  0.4065  2.8886  2.3426
+ 2862TIP3    H210035   3.717   5.864   5.091  0.6170 -0.5928 -1.5603
+ 2863TIP3   OH210036   1.469   5.477   6.733  0.5323  0.6005  0.1023
+ 2863TIP3    H110037   1.537   5.494   6.668  0.6021  1.5823  0.4167
+ 2863TIP3    H210038   1.391   5.522   6.698 -0.0580 -0.8170 -0.4323
+ 2864TIP3   OH210039   4.338   6.115   1.146 -0.1493 -0.0012 -0.2985
+ 2864TIP3    H110040   4.296   6.126   1.231  0.0374  2.9308 -0.5118
+ 2864TIP3    H210041   4.428   6.091   1.166 -0.1716  0.4391  0.3374
+ 2865TIP3   OH210042   3.944   5.706   2.515 -0.3011 -0.6712  0.0197
+ 2865TIP3    H110043   4.013   5.728   2.453  0.1919  0.2540  0.8856
+ 2865TIP3    H210044   3.989   5.694   2.598 -0.8872 -2.4578  0.1051
+ 2866TIP3   OH210045   4.655   4.718   1.322 -0.4145 -0.2543  0.4980
+ 2866TIP3    H110046   4.719   4.647   1.322  0.2253  0.3120  1.0609
+ 2866TIP3    H210047   4.647   4.744   1.230 -0.9123 -1.2813  0.2480
+ 2867TIP3   OH210048   3.611   5.505   6.165  0.0909 -0.3731  0.5392
+ 2867TIP3    H110049   3.575   5.469   6.084  0.3590  0.1898  0.1668
+ 2867TIP3    H210050   3.610   5.432   6.227 -0.6127 -0.6624  0.1854
+ 2868TIP3   OH210051   5.150   6.108   6.907  0.1406 -0.3033  0.6194
+ 2868TIP3    H110052   5.231   6.125   6.955 -0.7617 -0.8510  2.3592
+ 2868TIP3    H210053   5.177   6.050   6.836  2.0726  3.0798 -1.5678
+ 2869TIP3   OH210054   6.711   4.724   0.034 -0.1142  0.1890 -0.1583
+ 2869TIP3    H110055   6.694   4.812   0.067  1.8836  0.9531 -1.0160
+ 2869TIP3    H210056   6.769   4.738  -0.042 -0.1644 -1.8277 -0.6106
+ 2870TIP3   OH210057   4.858   0.048   6.360  0.3095  0.5290 -0.2345
+ 2870TIP3    H110058   4.855   0.109   6.434  0.2141 -0.1831  0.3565
+ 2870TIP3    H210059   4.769   0.048   6.326  0.5222  1.3961 -0.7930
+ 2871TIP3   OH210060   4.421   5.846   4.548  0.1661 -0.6117  0.1178
+ 2871TIP3    H110061   4.411   5.833   4.642 -2.6280 -0.1370 -0.0506
+ 2871TIP3    H210062   4.393   5.762   4.510  0.4911 -0.5279 -0.3031
+ 2872TIP3   OH210063   3.954   6.042   1.874  0.5292 -0.0238 -0.0491
+ 2872TIP3    H110064   3.899   5.964   1.871 -0.2876  0.6049 -1.9880
+ 2872TIP3    H210065   3.943   6.075   1.963 -1.6250 -0.3346 -0.1772
+ 2873TIP3   OH210066   3.970   1.407   4.276 -0.0444 -0.2689 -0.1225
+ 2873TIP3    H110067   3.995   1.425   4.186  0.9402  0.0353  0.2089
+ 2873TIP3    H210068   4.040   1.352   4.310  1.1417  2.0721  1.3604
+ 2874TIP3   OH210069   0.497   3.996  -0.001 -0.0751 -0.5915 -0.9927
+ 2874TIP3    H110070   0.506   4.062   0.067  0.4350  0.0958 -1.7226
+ 2874TIP3    H210071   0.578   3.945   0.004 -0.1039 -0.6358 -0.9791
+ 2875TIP3   OH210072   0.320   4.921   1.369 -0.3975 -0.3914 -0.0056
+ 2875TIP3    H110073   0.399   4.973   1.355 -1.4063  1.6171  1.4834
+ 2875TIP3    H210074   0.296   4.889   1.282  1.6689 -0.4797 -0.5695
+ 2876TIP3   OH210075   3.482   0.944   1.085 -0.0429  0.1001  0.4242
+ 2876TIP3    H110076   3.474   0.858   1.126  2.0548 -0.9825 -1.3042
+ 2876TIP3    H210077   3.532   0.927   1.005  1.3295  3.0854  0.5962
+ 2877TIP3   OH210078   4.853   5.682   0.720 -0.4660  0.2597 -0.2330
+ 2877TIP3    H110079   4.819   5.594   0.734 -0.2845  0.2902  0.3845
+ 2877TIP3    H210080   4.823   5.705   0.632 -2.2398  0.3808  0.3894
+ 2878TIP3   OH210081   5.584   0.686   5.855 -0.3847  0.1132  0.1623
+ 2878TIP3    H110082   5.627   0.680   5.770  0.7122 -0.9425  0.7729
+ 2878TIP3    H210083   5.638   0.632   5.913 -1.9331 -0.3781  1.1866
+ 2879TIP3   OH210084   4.454   1.246   1.098  0.2492 -0.6392  0.0430
+ 2879TIP3    H110085   4.415   1.296   1.169 -1.6551 -0.9351 -0.7636
+ 2879TIP3    H210086   4.414   1.281   1.018  1.0638 -1.4635 -0.7436
+ 2880TIP3   OH210087   4.117   6.660   2.889  0.2876 -0.3505  0.1285
+ 2880TIP3    H110088   4.203   6.701   2.884  0.6244 -0.9170  1.2684
+ 2880TIP3    H210089   4.133   6.574   2.928 -0.6766 -0.8022 -0.4507
+ 2881TIP3   OH210090   4.155   5.444   0.336 -0.3929 -0.3864 -0.0882
+ 2881TIP3    H110091   4.230   5.464   0.280 -0.8764  3.9392  0.6423
+ 2881TIP3    H210092   4.190   5.447   0.425 -0.8581 -1.2958  0.1339
+ 2882TIP3   OH210093   3.552   4.155   1.326 -0.0720  0.2498 -0.3651
+ 2882TIP3    H110094   3.585   4.243   1.308 -0.6432  0.2514 -1.5177
+ 2882TIP3    H210095   3.469   4.170   1.371 -0.1314  0.2987 -0.4904
+ 2883TIP3   OH210096   5.553   6.864   1.944 -0.1589  0.3491 -0.1418
+ 2883TIP3    H110097   5.612   6.868   2.020 -0.4452  3.0706 -0.0032
+ 2883TIP3    H210098   5.515   6.952   1.940 -1.0685 -0.1454 -2.7202
+ 2884TIP3   OH210099   0.420   5.228   0.660 -0.7213  0.2232  0.4581
+ 2884TIP3    H110100   0.465   5.217   0.744  0.8960 -0.1086 -0.4301
+ 2884TIP3    H210101   0.367   5.308   0.671 -0.7190  0.0328  1.8634
+ 2885TIP3   OH210102   6.500   1.080   3.484  0.4074  0.2769 -0.1625
+ 2885TIP3    H110103   6.500   1.131   3.404  1.6342  0.0834 -0.2942
+ 2885TIP3    H210104   6.500   0.989   3.454  0.1691  0.2042  0.0582
+ 2886TIP3   OH210105   6.267   5.282   0.271  0.2215  0.0439  0.5601
+ 2886TIP3    H110106   6.298   5.207   0.323  2.2270  0.6414  0.2538
+ 2886TIP3    H210107   6.190   5.249   0.225 -0.0433 -1.2644  1.9018
+ 2887TIP3   OH210108   4.795   6.483   1.666 -0.2252 -0.1747 -0.4813
+ 2887TIP3    H110109   4.840   6.401   1.684  0.9064  0.6707  0.6298
+ 2887TIP3    H210110   4.742   6.499   1.745 -2.6966 -1.2711 -1.8511
+ 2888TIP3   OH210111   4.326   5.501   2.213 -0.1350  0.0826 -0.4151
+ 2888TIP3    H110112   4.236   5.467   2.214 -0.3322  0.6131  1.1779
+ 2888TIP3    H210113   4.381   5.423   2.210 -0.6219 -0.3110  0.6489
+ 2889TIP3   OH210114   5.676   6.895   2.658 -0.9993 -0.1522  0.0797
+ 2889TIP3    H110115   5.645   6.820   2.710 -1.3620 -1.6050 -2.1643
+ 2889TIP3    H210116   5.751   6.928   2.707 -0.7789 -2.0515  1.1009
+ 2890TIP3   OH210117   0.549   5.728   2.369  0.0446  0.0841 -0.4939
+ 2890TIP3    H110118   0.611   5.785   2.414  0.7685 -0.4710 -0.7711
+ 2890TIP3    H210119   0.552   5.757   2.278 -1.2049  1.0199 -0.2484
+ 2891TIP3   OH210120   4.205   6.880   2.011  0.2701 -0.8323  0.5375
+ 2891TIP3    H110121   4.150   6.945   1.969  1.8382  1.0826  1.3432
+ 2891TIP3    H210122   4.147   6.836   2.073 -0.8060 -0.1581  0.0284
+ 2892TIP3   OH210123   4.439   5.811   0.830 -0.2277  0.2888  0.0904
+ 2892TIP3    H110124   4.477   5.896   0.806 -2.1715  0.9038 -0.8621
+ 2892TIP3    H210125   4.362   5.832   0.882  0.2779 -0.9531  1.3955
+ 2893TIP3   OH210126   5.131   3.165   4.567 -0.3786 -0.2970  0.0317
+ 2893TIP3    H110127   5.073   3.226   4.612 -0.5863 -2.1056  2.3431
+ 2893TIP3    H210128   5.193   3.220   4.520 -0.7569  1.6892  1.8001
+ 2894TIP3   OH210129   0.270   1.015   6.308  0.3305 -0.1002  0.3925
+ 2894TIP3    H110130   0.208   1.064   6.362  2.3393  0.0706  2.6129
+ 2894TIP3    H210131   0.324   0.967   6.371  1.6936 -1.1840 -1.5476
+ 2895TIP3   OH210132   0.060   5.277   0.778  0.7744 -0.3583  0.3914
+ 2895TIP3    H110133   0.034   5.274   0.686 -0.5991  1.0722  0.7310
+ 2895TIP3    H210134   0.075   5.369   0.796 -0.5457 -0.4428  2.0345
+ 2896TIP3   OH210135   5.357   6.289   5.651 -0.2588  0.0918 -0.1986
+ 2896TIP3    H110136   5.273   6.317   5.688 -0.3705  0.9960 -1.1281
+ 2896TIP3    H210137   5.340   6.199   5.621 -0.7565  0.0920  0.0688
+ 2897TIP3   OH210138   5.769   3.304   6.575  0.1512  0.0007 -0.1679
+ 2897TIP3    H110139   5.789   3.366   6.504  1.3713 -0.6861 -0.4447
+ 2897TIP3    H210140   5.767   3.219   6.532  0.4662 -0.3702  0.5528
+ 2898TIP3   OH210141   3.914   0.470   6.173  0.1486 -0.2514  0.3602
+ 2898TIP3    H110142   3.994   0.522   6.165  0.2921 -0.4480  0.5497
+ 2898TIP3    H210143   3.924   0.421   6.254  0.7661 -1.8754 -0.6639
+ 2899TIP3   OH210144   5.950   5.446   0.546 -0.6515  0.2629 -0.2410
+ 2899TIP3    H110145   5.864   5.416   0.515 -0.9139  1.4741 -0.7347
+ 2899TIP3    H210146   5.991   5.484   0.468  0.0244  0.3775  0.1677
+ 2900TIP3   OH210147   5.814   5.651   5.844  0.4662 -0.2950  0.4306
+ 2900TIP3    H110148   5.781   5.571   5.884  1.9984 -0.7884  0.7249
+ 2900TIP3    H210149   5.785   5.646   5.753 -2.4928  0.5310  1.2649
+ 2901TIP3   OH210150   5.443   0.273   1.837  0.0096 -0.1748  0.1686
+ 2901TIP3    H110151   5.507   0.341   1.856  1.3236 -2.0270  2.7723
+ 2901TIP3    H210152   5.369   0.291   1.896 -1.5024  1.3956 -2.1400
+ 2902TIP3   OH210153   0.455   4.692   0.587 -0.1605 -0.6339 -0.6411
+ 2902TIP3    H110154   0.413   4.686   0.673 -0.0354 -0.1245 -0.5478
+ 2902TIP3    H210155   0.545   4.718   0.605 -1.0706  3.0539 -1.1431
+ 2903TIP3   OH210156   6.484   4.218   0.287  0.6744  0.0731  0.2738
+ 2903TIP3    H110157   6.429   4.164   0.230  1.9848 -1.1004  0.0750
+ 2903TIP3    H210158   6.495   4.300   0.238 -0.2414  0.0212 -0.0325
+ 2904TIP3   OH210159   5.288   0.511   2.315 -0.7358  0.2857  0.1632
+ 2904TIP3    H110160   5.275   0.587   2.372  2.2200  0.3708  0.7932
+ 2904TIP3    H210161   5.252   0.437   2.366  0.3726  0.6114  1.4479
+ 2905TIP3   OH210162   5.408   6.869   2.572 -0.3831 -0.0231  0.4187
+ 2905TIP3    H110163   5.432   6.888   2.481  0.3704  0.9458  0.8222
+ 2905TIP3    H210164   5.486   6.890   2.623 -1.3276  0.9433  1.4801
+ 2906TIP3   OH210165   3.773   4.501   5.667  0.0335 -0.2060 -0.1200
+ 2906TIP3    H110166   3.759   4.406   5.671 -1.3763 -0.0200 -0.3447
+ 2906TIP3    H210167   3.825   4.514   5.588 -1.0575 -0.6538 -0.9211
+ 2907TIP3   OH210168   3.868   4.976   0.646  0.1117 -0.0024 -0.8039
+ 2907TIP3    H110169   3.928   4.994   0.719  0.1963  1.1199 -1.1412
+ 2907TIP3    H210170   3.786   5.019   0.672 -0.6580 -1.7938 -0.1990
+ 2908TIP3   OH210171   4.237   4.112   6.686  0.5944  0.3341 -0.3510
+ 2908TIP3    H110172   4.227   4.120   6.780 -1.8873 -0.4413 -0.5076
+ 2908TIP3    H210173   4.329   4.131   6.669  1.1650  0.0036  2.2715
+ 2909TIP3   OH210174   4.738   5.733   0.457  0.2946 -0.2825  0.2817
+ 2909TIP3    H110175   4.761   5.669   0.390  1.2110 -0.3935  0.6916
+ 2909TIP3    H210176   4.779   5.815   0.426 -0.0790 -0.1133  0.2318
+ 2910TIP3   OH210177   5.363   5.576   0.518 -0.2178 -0.0644 -0.2820
+ 2910TIP3    H110178   5.383   5.645   0.580 -1.0864 -1.4075  1.5469
+ 2910TIP3    H210179   5.311   5.619   0.450  1.0596  1.4941 -0.3029
+ 2911TIP3   OH210180   3.667   6.310   4.650  0.2623  0.5467  0.4910
+ 2911TIP3    H110181   3.585   6.265   4.632  0.2421  1.0342 -0.6901
+ 2911TIP3    H210182   3.734   6.242   4.644  0.1955  0.5959 -0.9449
+ 2912TIP3   OH210183   6.714   5.828   1.217 -0.2777  0.3075 -0.2337
+ 2912TIP3    H110184   6.760   5.895   1.166 -1.2743  1.2700  0.1061
+ 2912TIP3    H210185   6.635   5.809   1.167 -0.3568 -0.0902  0.0348
+ 2913TIP3   OH210186   4.632   5.745   1.612  0.0882 -0.1950  0.3150
+ 2913TIP3    H110187   4.608   5.730   1.704  0.4814  0.2886  0.4997
+ 2913TIP3    H210188   4.572   5.815   1.583 -0.7448 -1.0715 -0.1095
+ 2914TIP3   OH210189   4.897   6.028   2.489 -0.2278  0.2859 -0.2811
+ 2914TIP3    H110190   4.904   5.939   2.454  0.0461  0.5887 -0.9963
+ 2914TIP3    H210191   4.803   6.045   2.495 -0.2861 -0.1904  0.2188
+ 2915TIP3   OH210192   1.066   5.166   1.783 -0.0681 -0.3539 -0.0085
+ 2915TIP3    H110193   1.089   5.197   1.696  2.0778 -0.5128  0.4746
+ 2915TIP3    H210194   0.998   5.100   1.769 -0.8716  0.7582 -1.4209
+ 2916TIP3   OH210195   0.294   4.126   1.139  0.9591 -0.6530 -0.1229
+ 2916TIP3    H110196   0.283   4.195   1.073 -0.3387  1.1274  1.8699
+ 2916TIP3    H210197   0.291   4.173   1.222 -1.0477 -3.2327  1.3370
+ 2917TIP3   OH210198   6.839   5.090   1.259  0.3751 -0.0332  0.1253
+ 2917TIP3    H110199   6.810   5.021   1.200  0.0349 -0.0712  0.3388
+ 2917TIP3    H210200   6.802   5.067   1.344 -1.2472  1.3653 -0.1688
+ 2918TIP3   OH210201   4.954   6.257   2.844  1.1569  0.5503 -0.4272
+ 2918TIP3    H110202   4.875   6.298   2.879 -0.5750 -1.1877 -2.2037
+ 2918TIP3    H210203   4.966   6.178   2.897 -0.2876 -0.9873 -2.3138
+ 2919TIP3   OH210204   3.963   0.481   1.490 -0.3934 -0.0919  0.3956
+ 2919TIP3    H110205   4.034   0.483   1.426  1.3316  0.9646  2.2744
+ 2919TIP3    H210206   3.889   0.521   1.445  0.1491 -1.2889 -1.6316
+ 2920TIP3   OH210207   5.277   5.304   1.212  0.2705 -0.0351 -0.1028
+ 2920TIP3    H110208   5.280   5.324   1.118 -0.6559 -2.0830 -0.6032
+ 2920TIP3    H210209   5.352   5.248   1.227 -2.0280 -3.3974 -0.6008
+ 2921TIP3   OH210210   0.310   4.202   5.745  0.3764  0.2610  0.0450
+ 2921TIP3    H110211   0.253   4.134   5.709  0.7512 -0.1554  0.2271
+ 2921TIP3    H210212   0.279   4.214   5.835 -1.4436  2.2732 -0.7989
+ 2922TIP3   OH210213   0.037   4.736   1.285  0.0697 -0.0088  1.0311
+ 2922TIP3    H110214  -0.030   4.669   1.288 -1.1850  1.1819  0.0112
+ 2922TIP3    H210215  -0.005   4.813   1.323  1.2453  0.4230  1.4728
+ 2923TIP3   OH210216   1.366   4.011   0.556 -0.2487 -0.3902  0.1339
+ 2923TIP3    H110217   1.429   3.940   0.549  0.7278  0.5759 -0.9010
+ 2923TIP3    H210218   1.363   4.031   0.650  2.3980  0.8172  0.0079
+ 2924TIP3   OH210219   5.091   6.091   0.447 -0.1773 -0.3951  0.3799
+ 2924TIP3    H110220   5.124   6.028   0.511  2.7384  1.2742  0.6003
+ 2924TIP3    H210221   5.009   6.052   0.415 -0.8351 -2.0718  3.8519
+ 2925TIP3   OH210222   6.199   4.796   1.389 -0.6212  0.4126 -0.5816
+ 2925TIP3    H110223   6.286   4.755   1.395 -0.3717  1.0992  0.6551
+ 2925TIP3    H210224   6.156   4.773   1.471 -1.8779 -0.4854 -1.4699
+ 2926TIP3   OH210225   4.036   6.876   1.166  0.0300 -0.0745 -0.4002
+ 2926TIP3    H110226   3.969   6.877   1.098 -0.5337 -0.6338  0.1291
+ 2926TIP3    H210227   3.987   6.889   1.247  0.5888 -0.2739 -0.0275
+ 2927TIP3   OH210228   6.590   0.407   6.396 -0.8451 -0.0707  0.1159
+ 2927TIP3    H110229   6.634   0.358   6.465 -0.4277 -1.5618 -1.1888
+ 2927TIP3    H210230   6.661   0.452   6.350 -1.1238  0.9236  0.6261
+ 2928TIP3   OH210231   0.140   1.374   6.227 -0.1974 -0.2435 -0.0843
+ 2928TIP3    H110232   0.117   1.464   6.206 -2.7674 -0.4706  1.4162
+ 2928TIP3    H210233   0.221   1.381   6.278 -1.5912  1.4475  1.9837
+ 2929TIP3   OH210234   5.518   0.869   1.246 -0.1119  0.2259  0.7755
+ 2929TIP3    H110235   5.608   0.860   1.216 -0.3590  1.8909 -0.5684
+ 2929TIP3    H210236   5.518   0.946   1.302 -0.5292 -0.3111  1.5264
+ 2930TIP3   OH210237   5.597   6.490   1.324 -0.4792 -0.0106 -0.4179
+ 2930TIP3    H110238   5.643   6.480   1.408 -0.3978 -0.9052 -0.5647
+ 2930TIP3    H210239   5.513   6.531   1.347 -0.5003 -0.3531  0.1180
+ 2931TIP3   OH210240   6.471   3.878   0.981  0.4542 -0.0842  0.0832
+ 2931TIP3    H110241   6.557   3.839   0.995  0.8832  1.0170  0.5455
+ 2931TIP3    H210242   6.459   3.877   0.886  0.6690 -0.8882  0.0625
+ 2932TIP3   OH210243   6.034   4.710   4.764 -0.0266  0.4160 -0.7831
+ 2932TIP3    H110244   6.052   4.646   4.695  1.0069 -0.5493  0.3697
+ 2932TIP3    H210245   6.117   4.719   4.810 -1.4973 -1.3512  2.3491
+ 2933TIP3   OH210246   1.849   5.748   6.392 -0.3345 -0.6562  0.1894
+ 2933TIP3    H110247   1.817   5.749   6.482 -0.4104 -0.8480  0.1644
+ 2933TIP3    H210248   1.856   5.841   6.368 -0.6771 -0.6097  0.2629
+ 2934TIP3   OH210249   0.472   4.404   1.061 -0.0075  0.0228 -0.4755
+ 2934TIP3    H110250   0.466   4.470   1.130 -1.0202 -0.6078  0.0613
+ 2934TIP3    H210251   0.519   4.331   1.101  2.8263  1.1184 -1.6565
+ 2935TIP3   OH210252   1.455   0.181   0.848 -0.0252 -0.6348 -0.4061
+ 2935TIP3    H110253   1.495   0.140   0.771  2.4139 -1.7396  1.3949
+ 2935TIP3    H210254   1.457   0.113   0.915 -0.7411  0.7811  1.0884
+ 2936TIP3   OH210255   4.569   5.741   1.931 -0.3066 -0.2243  0.5504
+ 2936TIP3    H110256   4.497   5.778   1.981 -0.1553  0.3654  0.3461
+ 2936TIP3    H210257   4.645   5.747   1.989 -0.1191  0.5114  0.2429
+ 2937TIP3   OH210258   6.059   0.872   1.110 -0.0396 -0.0577  0.2546
+ 2937TIP3    H110259   5.976   0.829   1.132 -0.2311  1.6123  3.0980
+ 2937TIP3    H210260   6.035   0.938   1.045 -0.8008 -0.2600  0.3183
+ 2938TIP3   OH210261   4.582   3.388   6.664 -0.5576 -0.1268  0.5297
+ 2938TIP3    H110262   4.671   3.362   6.690  0.1035  1.9148  0.3808
+ 2938TIP3    H210263   4.589   3.406   6.570 -0.6316  1.9762  0.9046
+ 2939TIP3   OH210264   4.277   0.571   5.958 -0.5479  0.0467 -0.1227
+ 2939TIP3    H110265   4.204   0.512   5.937 -1.8771  1.7779 -0.4351
+ 2939TIP3    H210266   4.310   0.599   5.872 -0.4633  0.4369  0.0392
+ 2940TIP3   OH210267   5.988   6.144   6.830 -0.0474  0.4501 -0.1272
+ 2940TIP3    H110268   6.062   6.085   6.814 -0.5497 -0.8453  2.0594
+ 2940TIP3    H210269   5.924   6.121   6.763  0.1270 -0.8848  0.1488
+ 2941TIP3   OH210270   6.763   0.965   1.957  0.3264  0.6386  0.0332
+ 2941TIP3    H110271   6.849   0.951   1.918  1.0915  2.2697  1.1070
+ 2941TIP3    H210272   6.710   1.002   1.886  1.3922  2.5448  0.2088
+ 2942TIP3   OH210273   5.843   6.378   1.000 -0.1797 -0.0767 -0.1063
+ 2942TIP3    H110274   5.936   6.373   0.976 -0.4609  1.9939 -1.7794
+ 2942TIP3    H210275   5.838   6.451   1.062 -0.7902  0.3021 -0.5988
+ 2943TIP3   OH210276   6.847   5.807   2.029  0.4617  0.5334 -0.3541
+ 2943TIP3    H110277   6.853   5.724   1.983 -1.3916  0.0894  0.1782
+ 2943TIP3    H210278   6.849   5.784   2.122  1.0862  1.1815 -0.1975
+ 2944TIP3   OH210279   6.470   4.945   1.643  0.0332  0.5780  0.2188
+ 2944TIP3    H110280   6.519   4.973   1.721  0.3778  0.0665  0.1863
+ 2944TIP3    H210281   6.445   4.855   1.662 -0.2546  0.5929 -0.0870
+ 2945TIP3   OH210282   1.168   0.557   0.422 -0.3186  0.3440  0.5062
+ 2945TIP3    H110283   1.199   0.466   0.423 -0.2405  0.3606 -0.4933
+ 2945TIP3    H210284   1.246   0.610   0.436 -0.3441  0.2683  0.9526
+ 2946TIP3   OH210285   0.668  -0.006   2.767 -0.3054  0.3831 -0.1796
+ 2946TIP3    H110286   0.723  -0.039   2.838  0.7818 -0.6551 -1.4766
+ 2946TIP3    H210287   0.725   0.053   2.718 -1.0193  1.0061 -0.2767
+ 2947TIP3   OH210288   5.766   3.950   1.534 -0.1880 -0.1005  0.2993
+ 2947TIP3    H110289   5.814   4.023   1.572 -0.5199  0.5022 -0.4395
+ 2947TIP3    H210290   5.753   3.889   1.607  1.6597 -0.2560  0.5169
+ 2948TIP3   OH210291   5.653   4.942   1.268 -0.2041 -0.2711  0.2887
+ 2948TIP3    H110292   5.627   4.852   1.250  0.0696 -0.7798  2.3249
+ 2948TIP3    H210293   5.710   4.936   1.345  2.0386  1.3469 -1.1609
+ 2949TIP3   OH210294   5.863   6.697   4.924 -0.1711 -0.0531  0.2768
+ 2949TIP3    H110295   5.891   6.681   5.014  2.5531 -0.9227 -0.6745
+ 2949TIP3    H210296   5.902   6.781   4.900 -0.7493  0.1026 -0.1455
+ 2950TIP3   OH210297   0.514   6.825   1.334 -0.3227 -0.0299 -0.0132
+ 2950TIP3    H110298   0.609   6.834   1.322 -0.0612 -1.4213  0.8467
+ 2950TIP3    H210299   0.479   6.912   1.316  1.0177  0.2595 -1.2929
+ 2951TIP3   OH210300   5.899   1.368   2.431  0.0189  0.6149  0.3198
+ 2951TIP3    H110301   5.903   1.458   2.398 -1.6568  0.7814  0.5517
+ 2951TIP3    H210302   5.885   1.315   2.353 -2.0628  0.8437  0.5098
+ 2952TIP3   OH210303   2.788   0.417   1.745 -0.0574 -0.6590  0.1330
+ 2952TIP3    H110304   2.754   0.458   1.665 -3.4558  0.1495  1.9033
+ 2952TIP3    H210305   2.834   0.487   1.790 -1.4824 -0.0665  0.7047
+ 2953TIP3   OH210306   6.295   5.558   4.149 -0.2216 -0.2414  0.0589
+ 2953TIP3    H110307   6.284   5.570   4.243  0.8417  0.0955  0.1417
+ 2953TIP3    H210308   6.265   5.641   4.111  1.0436  0.2966  0.2196
+ 2954TIP3   OH210309   6.668   4.591   1.012 -0.5310  0.0600 -0.6054
+ 2954TIP3    H110310   6.628   4.660   1.064 -0.4926  1.3930 -2.3069
+ 2954TIP3    H210311   6.616   4.513   1.031  0.3477  0.1782  2.5018
+ 2955TIP3   OH210312   5.159   5.063   0.728 -0.2785  0.3930  0.9272
+ 2955TIP3    H110313   5.159   5.147   0.681 -1.0099  0.3932  0.9163
+ 2955TIP3    H210314   5.251   5.038   0.733  0.0618  1.7952  1.9956
+ 2956TIP3   OH210315   3.199   0.254   2.338  0.0835  0.2035 -0.4609
+ 2956TIP3    H110316   3.265   0.191   2.364  0.6041 -0.0701 -2.4203
+ 2956TIP3    H210317   3.217   0.331   2.392  2.3445  0.3304 -1.3347
+ 2957TIP3   OH210318   5.376   2.030   2.771 -0.2054 -0.4429 -0.0619
+ 2957TIP3    H110319   5.456   2.055   2.818 -0.2646  0.2268 -0.3053
+ 2957TIP3    H210320   5.347   2.111   2.729  0.8043 -1.3842 -2.7121
+ 2958TIP3   OH210321   5.896   5.578   1.449  0.0535 -0.3865  0.3872
+ 2958TIP3    H110322   5.830   5.646   1.439  0.7824  0.9682  3.9751
+ 2958TIP3    H210323   5.850   5.507   1.494  0.6986  0.1118  1.8778
+ 2959TIP3   OH210324   0.250   6.785   0.869  0.2506 -0.0769  0.3170
+ 2959TIP3    H110325   0.324   6.827   0.913  0.6492 -0.2379 -0.1946
+ 2959TIP3    H210326   0.286   6.705   0.831 -0.0104  0.2381 -0.5979
+ 2960TIP3   OH210327   0.331   2.733   5.907  0.2940 -0.4093  0.3243
+ 2960TIP3    H110328   0.297   2.742   5.818 -0.3622 -0.0474  0.6085
+ 2960TIP3    H210329   0.340   2.823   5.938 -0.3218 -0.5541  0.9422
+ 2961TIP3   OH210330   5.989   5.803   1.794 -0.3686 -0.0984 -0.0092
+ 2961TIP3    H110331   5.954   5.743   1.859 -2.6752 -1.8832 -2.8243
+ 2961TIP3    H210332   5.920   5.867   1.780 -0.1091 -0.0506 -1.1177
+ 2962TIP3   OH210333   4.802   5.479   1.827 -0.4317  0.8219  0.2354
+ 2962TIP3    H110334   4.737   5.474   1.897  1.2324 -2.0174  1.6902
+ 2962TIP3    H210335   4.853   5.557   1.847 -0.2776  0.3015  1.9695
+ 2963TIP3   OH210336   1.062   4.845   1.000 -0.0086  0.4405 -0.7843
+ 2963TIP3    H110337   1.040   4.938   1.002  0.5938  0.5820 -0.5019
+ 2963TIP3    H210338   1.035   4.815   0.913  0.8022  1.1272 -1.2775
+ 2964TIP3   OH210339   1.813   0.333   1.319 -1.0372  0.0353 -0.9456
+ 2964TIP3    H110340   1.842   0.319   1.410  0.3879 -0.7243 -1.4892
+ 2964TIP3    H210341   1.718   0.340   1.325 -0.9819 -0.1903  0.5931
+ 2965TIP3   OH210342   0.894   6.556   1.774 -0.0509  0.4061  0.1134
+ 2965TIP3    H110343   0.827   6.548   1.706  0.3564 -1.5589 -0.0637
+ 2965TIP3    H210344   0.950   6.627   1.744 -1.4658  1.4117 -0.2239
+ 2966TIP3   OH210345   2.951   5.936   2.512  0.0301 -0.1201 -0.2712
+ 2966TIP3    H110346   2.975   5.996   2.583 -1.6523 -0.2480  0.4327
+ 2966TIP3    H210347   2.979   5.850   2.543 -1.6841 -0.3335  0.7413
+ 2967TIP3   OH210348   6.786   1.225   6.884 -0.1772 -0.3344 -0.4299
+ 2967TIP3    H110349   6.751   1.280   6.813 -0.7303  1.2131  1.0176
+ 2967TIP3    H210350   6.710   1.175   6.914 -0.4860  0.7961  0.6866
+ 2968TIP3   OH210351   5.023   6.376   1.362  0.0793 -0.3545 -0.5849
+ 2968TIP3    H110352   5.025   6.444   1.430 -0.1427 -0.7005 -0.2326
+ 2968TIP3    H210353   5.112   6.342   1.360  0.1067 -0.2891 -0.5215
+ 2969TIP3   OH210354   4.658   0.935   5.401  0.3592 -0.5593  0.0669
+ 2969TIP3    H110355   4.630   0.847   5.424 -0.3539  0.0270  1.5237
+ 2969TIP3    H210356   4.729   0.955   5.462 -0.0691  0.1936  0.3324
+ 2970TIP3   OH210357   4.343   1.035   6.144 -0.3094  0.8122 -0.1208
+ 2970TIP3    H110358   4.281   0.974   6.105  0.7811 -0.5224  0.1775
+ 2970TIP3    H210359   4.289   1.096   6.194 -1.3816 -0.4213  0.2587
+ 2971TIP3   OH210360   2.479   6.147   0.331 -0.4591  0.0990  0.6731
+ 2971TIP3    H110361   2.459   6.068   0.381 -0.0937 -1.3320 -1.3852
+ 2971TIP3    H210362   2.527   6.115   0.254 -0.1327  2.3419 -0.0810
+ 2972TIP3   OH210363   0.275   0.507   6.871  0.3069 -0.5623  0.3738
+ 2972TIP3    H110364   0.242   0.470   6.953 -0.2784  0.5576  0.6480
+ 2972TIP3    H210365   0.336   0.441   6.838 -0.5266 -1.6592  0.9902
+ 2973TIP3   OH210366   4.592   3.808   6.387  0.2804  0.1515 -0.6608
+ 2973TIP3    H110367   4.532   3.802   6.461 -1.1985  0.4882 -1.8102
+ 2973TIP3    H210368   4.679   3.801   6.426 -0.5058 -0.5875  1.0006
+ 2974TIP3   OH210369   4.276   0.137   2.832 -0.9522  0.2873 -0.3020
+ 2974TIP3    H110370   4.271   0.211   2.772  0.8889  1.5962  1.1016
+ 2974TIP3    H210371   4.251   0.175   2.917 -1.4564 -1.0500  0.1515
+ 2975TIP3   OH210372   5.948   6.679   2.417  0.8354 -0.1470 -0.6363
+ 2975TIP3    H110373   5.860   6.671   2.382  0.3604 -0.9211  0.6821
+ 2975TIP3    H210374   5.947   6.763   2.464  0.7361 -0.2401 -0.4696
+ 2976TIP3   OH210375   5.278   6.337   6.272  0.0727 -0.0925 -0.3796
+ 2976TIP3    H110376   5.322   6.252   6.268  1.2427  0.5952 -3.9944
+ 2976TIP3    H210377   5.343   6.396   6.312  0.3580 -0.2715 -0.5790
+ 2977TIP3   OH210378   1.238   1.771   0.773 -0.3002  0.1964 -0.3424
+ 2977TIP3    H110379   1.263   1.839   0.836 -2.1298  1.8734 -1.3811
+ 2977TIP3    H210380   1.255   1.689   0.819 -0.0720  1.3588  1.7297
+ 2978TIP3   OH210381   6.636   5.277   0.424  0.5830  0.3490  0.4869
+ 2978TIP3    H110382   6.639   5.314   0.336 -1.1245  2.0456  1.0893
+ 2978TIP3    H210383   6.725   5.245   0.440  1.3793  1.6356 -1.1792
+ 2979TIP3   OH210384   4.853   5.637   0.228  0.4246 -0.3691  0.4788
+ 2979TIP3    H110385   4.844   5.657   0.135 -1.9530  0.5051  0.8641
+ 2979TIP3    H210386   4.890   5.548   0.230 -1.7745 -1.3812 -1.3294
+ 2980TIP3   OH210387   5.032   6.787   0.230  0.6650  0.4729 -0.5879
+ 2980TIP3    H110388   5.110   6.767   0.282  0.1376  0.9563  0.4163
+ 2980TIP3    H210389   5.001   6.703   0.199  2.4248  0.4146 -2.2287
+ 2981TIP3   OH210390   5.942   3.346   1.782  0.0974  0.1094 -0.9003
+ 2981TIP3    H110391   5.958   3.409   1.712  2.4717  0.0835 -0.4211
+ 2981TIP3    H210392   5.939   3.399   1.862  2.1814 -0.3674 -0.4878
+ 2982TIP3   OH210393   0.278   6.229   1.486 -0.8694 -0.2301 -0.0143
+ 2982TIP3    H110394   0.324   6.165   1.432  0.3232 -0.2234  0.9542
+ 2982TIP3    H210395   0.189   6.232   1.451 -0.3702 -0.9045 -1.3630
+ 2983TIP3   OH210396   6.062   0.300   4.265 -1.1631 -0.2341  0.6074
+ 2983TIP3    H110397   6.121   0.306   4.340  0.0210 -0.7017 -0.2616
+ 2983TIP3    H210398   6.007   0.378   4.270  0.0621  0.6151  0.9999
+ 2984TIP3   OH210399   2.072   0.508   6.232  0.4174  0.4767  0.2386
+ 2984TIP3    H110400   2.018   0.586   6.245  0.5108  0.6236 -0.2440
+ 2984TIP3    H210401   2.157   0.542   6.203  0.6159  0.2220  0.5234
+ 2985TIP3   OH210402   0.358   0.571   3.715  0.1370  0.5665  0.0416
+ 2985TIP3    H110403   0.309   0.607   3.790 -0.9949  0.2621 -0.5446
+ 2985TIP3    H210404   0.440   0.540   3.753 -0.3993  0.4843  1.1557
+ 2986TIP3   OH210405   0.868   4.539   1.036 -0.0984 -0.3994  0.4473
+ 2986TIP3    H110406   0.941   4.535   1.098  0.8674 -2.2625 -0.7475
+ 2986TIP3    H210407   0.875   4.626   0.996 -0.0369  0.3656  2.0959
+ 2987TIP3   OH210408   0.569   6.876   0.766  0.1710 -0.1472 -0.0585
+ 2987TIP3    H110409   0.598   6.821   0.838  2.6658  0.0018 -0.9230
+ 2987TIP3    H210410   0.563   6.817   0.691  0.2858  0.2468 -0.3797
+ 2988TIP3   OH210411   5.138   5.288   6.213 -0.4242  0.3864 -0.5683
+ 2988TIP3    H110412   5.117   5.380   6.200  0.8518  0.4231 -2.6394
+ 2988TIP3    H210413   5.072   5.241   6.160 -0.3931  0.1640 -0.4094
+ 2989TIP3   OH210414   5.508   5.152   1.170 -0.0096 -0.0239 -0.1709
+ 2989TIP3    H110415   5.562   5.083   1.209 -0.0851  0.1151  0.1820
+ 2989TIP3    H210416   5.516   5.139   1.076  0.8149  0.1280 -0.1255
+ 2990TIP3   OH210417   5.849   5.199   6.762  0.1485  0.2071  0.3162
+ 2990TIP3    H110418   5.813   5.127   6.815 -0.4233 -0.0645 -0.4363
+ 2990TIP3    H210419   5.940   5.173   6.747  1.2334  1.7359  3.7108
+ 2991TIP3   OH210420   0.665   5.681   2.762  0.0747  0.5058  0.2121
+ 2991TIP3    H110421   0.658   5.750   2.696  0.1896 -1.1128 -1.5493
+ 2991TIP3    H210422   0.576   5.647   2.771  0.4668 -0.9167 -0.9792
+ 2992TIP3   OH210423   0.955   0.382   2.590  0.4434  0.1653  0.4746
+ 2992TIP3    H110424   1.024   0.444   2.567 -1.5845  1.2916 -2.8608
+ 2992TIP3    H210425   0.897   0.431   2.649  1.8562 -0.4077  2.3511
+ 2993TIP3   OH210426   5.531   1.784   2.971 -0.3186  0.2524  0.0434
+ 2993TIP3    H110427   5.501   1.750   3.055 -1.8656  0.4897 -0.4103
+ 2993TIP3    H210428   5.597   1.721   2.942 -1.6742 -1.2581  0.1805
+ 2994TIP3   OH210429   6.401   5.110   0.823 -0.2769 -0.6036 -0.3941
+ 2994TIP3    H110430   6.456   5.121   0.901 -1.0086  1.0789 -0.0794
+ 2994TIP3    H210431   6.463   5.091   0.752  0.6113  0.0654  0.1860
+ 2995TIP3   OH210432   5.424   0.912   2.631  0.0115 -0.3877  0.5485
+ 2995TIP3    H110433   5.467   0.967   2.697  0.1544 -1.6147  1.4969
+ 2995TIP3    H210434   5.422   0.825   2.670 -1.0343 -0.8762 -0.5640
+ 2996TIP3   OH210435   1.594   6.828   2.036  0.0978 -0.2110  0.0865
+ 2996TIP3    H110436   1.682   6.799   2.012  0.2950  1.3071 -1.1057
+ 2996TIP3    H210437   1.537   6.795   1.967 -0.4849 -2.2802  1.5174
+ 2997TIP3   OH210438   5.243   1.242   1.021  0.1027  0.0313 -0.0205
+ 2997TIP3    H110439   5.287   1.317   0.981 -1.2072 -0.2044 -2.0184
+ 2997TIP3    H210440   5.187   1.279   1.088  1.0576  0.6233  0.4533
+ 2998TIP3   OH210441   5.801   5.915   0.952  0.1271 -0.3215 -0.0451
+ 2998TIP3    H110442   5.892   5.889   0.938  0.6353  1.2226  0.3954
+ 2998TIP3    H210443   5.767   5.849   1.013  0.3257 -2.1230 -1.8094
+ 2999TIP3   OH210444   5.496   6.318   1.868 -0.3072  0.5162 -0.4648
+ 2999TIP3    H110445   5.555   6.265   1.920  0.2680  0.3031 -1.3359
+ 2999TIP3    H210446   5.413   6.317   1.917 -0.8361 -2.5819 -1.3199
+ 3000TIP3   OH210447   6.559   6.308   1.673 -0.4816 -0.7497  0.3920
+ 3000TIP3    H110448   6.512   6.276   1.751  1.0968 -0.1724  1.6030
+ 3000TIP3    H210449   6.501   6.375   1.637 -1.0864 -0.7914  1.2468
+ 3001TIP3   OH210450   5.787   0.218   1.965 -0.3309 -0.2407  0.1289
+ 3001TIP3    H110451   5.845   0.216   2.041 -0.3318 -0.3274  0.1272
+ 3001TIP3    H210452   5.760   0.310   1.958 -2.3377 -0.6588  1.7632
+ 3002TIP3   OH210453   6.650   4.027   1.799 -0.7134  0.0968 -0.2199
+ 3002TIP3    H110454   6.642   3.988   1.712  0.0813 -1.6136  0.4523
+ 3002TIP3    H210455   6.716   4.095   1.789 -0.7177 -0.0074 -0.9820
+ 3003TIP3   OH210456   6.853   6.164   0.493  0.0728  0.4843  0.3272
+ 3003TIP3    H110457   6.920   6.192   0.555  0.8553 -0.6291 -0.0092
+ 3003TIP3    H210458   6.887   6.083   0.456 -0.6687  0.8065 -1.0988
+ 3004TIP3   OH210459   1.074   5.404   6.489 -0.7008  0.3955  0.2197
+ 3004TIP3    H110460   1.115   5.477   6.536  1.9519 -0.3423 -0.8829
+ 3004TIP3    H210461   1.109   5.325   6.530  0.2257 -0.2531 -1.7635
+ 3005TIP3   OH210462   2.158   5.536   1.519 -0.2241  0.0645 -0.5703
+ 3005TIP3    H110463   2.165   5.482   1.598  0.6499  0.5568 -0.3032
+ 3005TIP3    H210464   2.242   5.581   1.514  0.2098 -0.9156 -2.4861
+ 3006TIP3   OH210465   0.155   4.660   0.231  0.4830 -0.2883 -0.4556
+ 3006TIP3    H110466   0.076   4.643   0.284  1.6243 -1.4843  0.9076
+ 3006TIP3    H210467   0.227   4.631   0.287  1.9017  0.8631 -1.6701
+ 3007TIP3   OH210468   0.759   6.143   4.983  0.2953  0.3086 -0.2377
+ 3007TIP3    H110469   0.799   6.227   5.008  1.6623 -0.1873 -0.6858
+ 3007TIP3    H210470   0.667   6.163   4.967  0.0256  1.2327  2.2282
+ 3008TIP3   OH210471   1.945   3.739   0.463  0.8755  0.9022  0.2222
+ 3008TIP3    H110472   1.915   3.790   0.539 -0.2952 -0.2057  0.5160
+ 3008TIP3    H210473   2.024   3.694   0.494 -1.2534 -1.9119  1.7789
+ 3009TIP3   OH210474   0.894   4.963   0.147 -0.1595 -0.2879 -0.0843
+ 3009TIP3    H110475   0.851   5.026   0.090 -0.0653 -0.6159 -0.5187
+ 3009TIP3    H210476   0.859   4.878   0.120  1.1324 -0.6084 -0.7805
+ 3010TIP3   OH210477   5.710   4.782   0.623 -0.0967  0.3189 -0.3498
+ 3010TIP3    H110478   5.769   4.723   0.670 -0.7275 -0.9208 -1.0919
+ 3010TIP3    H210479   5.632   4.730   0.607 -0.4515  1.1878 -1.4960
+ 3011TIP3   OH210480   3.761   6.217   2.488 -0.4366 -0.0369  0.4440
+ 3011TIP3    H110481   3.701   6.230   2.561  0.0778  0.8876  0.7137
+ 3011TIP3    H210482   3.772   6.122   2.482 -0.1745 -0.1017  1.8305
+ 3012TIP3   OH210483   4.789   0.244   1.970 -0.0138 -0.1732  0.1117
+ 3012TIP3    H110484   4.760   0.192   1.896 -1.5942 -0.9499  1.2571
+ 3012TIP3    H210485   4.711   0.255   2.024  0.9261  1.0785  1.2517
+ 3013TIP3   OH210486   6.805   0.519   3.315 -0.3824  0.0421  0.1761
+ 3013TIP3    H110487   6.881   0.465   3.293  1.0629  1.1257  2.3010
+ 3013TIP3    H210488   6.787   0.569   3.235  1.8384  0.5809 -0.0202
+ 3014TIP3   OH210489   3.359   3.447   2.047  0.3041  0.2519  0.3212
+ 3014TIP3    H110490   3.376   3.532   2.087 -0.1340  0.0218  1.0155
+ 3014TIP3    H210491   3.300   3.403   2.109 -3.3173  1.2407 -2.2315
+ 3015TIP3   OH210492   3.580   1.958   2.949 -0.4306  0.1073  0.1792
+ 3015TIP3    H110493   3.534   1.908   3.017  0.9591 -2.2878 -0.5953
+ 3015TIP3    H210494   3.614   1.892   2.889  0.2484  2.0804 -1.6672
+ 3016TIP3   OH210495   6.614   1.084   2.894 -0.1075 -0.3197 -0.4207
+ 3016TIP3    H110496   6.676   1.154   2.914 -0.2198 -0.1202 -0.7626
+ 3016TIP3    H210497   6.633   1.061   2.803  0.2909 -1.1032 -0.1374
+ 3017TIP3   OH210498   0.067   2.736   6.428 -0.4734  0.4469  0.4278
+ 3017TIP3    H110499   0.067   2.744   6.333  0.0363 -1.3170  0.2631
+ 3017TIP3    H210500   0.140   2.678   6.448  0.3193  1.9263  2.0154
+ 3018TIP3   OH210501   2.544   1.505   1.605 -0.1271  0.3397 -0.3111
+ 3018TIP3    H110502   2.595   1.430   1.636  0.8484  1.6096  1.2300
+ 3018TIP3    H210503   2.479   1.467   1.545 -0.3908 -1.8579  1.3267
+ 3019TIP3   OH210504   0.827   2.508   2.610 -0.7171  0.7736 -0.6853
+ 3019TIP3    H110505   0.899   2.444   2.609 -1.1071  0.3301 -0.4774
+ 3019TIP3    H210506   0.848   2.568   2.538 -0.2726  0.4957 -0.7928
+ 3020TIP3   OH210507   1.566   2.128   2.008 -0.3185  0.0566  0.5561
+ 3020TIP3    H110508   1.621   2.131   1.931  2.1135 -0.2454  2.2248
+ 3020TIP3    H210509   1.515   2.048   1.999 -0.4454  0.3023 -0.9714
+ 3021TIP3   OH210510   0.735   2.758   1.644 -0.6404  0.5570  0.0726
+ 3021TIP3    H110511   0.693   2.741   1.560 -0.9551  0.3164  0.2792
+ 3021TIP3    H210512   0.670   2.805   1.695 -0.6700  0.1744  0.3968
+ 3022TIP3   OH210513   0.668   6.504   5.310  0.1344 -0.2446  0.1729
+ 3022TIP3    H110514   0.584   6.459   5.306 -0.4213  0.7457  0.4140
+ 3022TIP3    H210515   0.724   6.446   5.360  0.0609 -1.6369 -1.3439
+ 3023TIP3   OH210516   1.145   1.024   2.949 -0.2721  0.0138  0.1718
+ 3023TIP3    H110517   1.122   1.117   2.950 -1.6652 -0.3313  1.3024
+ 3023TIP3    H210518   1.225   1.019   3.001  0.0324  0.6287 -0.2270
+ 3024TIP3   OH210519   0.538   2.380   1.816 -0.2253  0.2534 -0.0486
+ 3024TIP3    H110520   0.576   2.405   1.900  0.8152  1.3234 -0.8158
+ 3024TIP3    H210521   0.481   2.453   1.793  0.0467  0.2989 -0.5966
+ 3025TIP3   OH210522   0.489   0.926   1.842  0.9299  0.6621  0.0441
+ 3025TIP3    H110523   0.580   0.921   1.871  0.9613 -0.7289 -0.2290
+ 3025TIP3    H210524   0.493   0.967   1.756  1.0475  2.8264  1.0698
+ 3026TIP3   OH210525   6.520   2.208   1.397  0.3314 -0.0287  0.0551
+ 3026TIP3    H110526   6.546   2.219   1.488  1.7218 -0.0092 -0.3307
+ 3026TIP3    H210527   6.478   2.122   1.394  0.3249 -0.0483  0.7006
+ 3027TIP3   OH210528  -0.019   1.165   2.987 -0.2319 -0.1666 -0.2778
+ 3027TIP3    H110529   0.002   1.157   3.080  0.5959 -0.2937 -0.4808
+ 3027TIP3    H210530   0.053   1.216   2.950  1.1111 -2.8381 -1.4741
+ 3028TIP3   OH210531   1.896   5.719   3.840 -0.4649 -0.2857  0.0108
+ 3028TIP3    H110532   1.925   5.783   3.775  1.9241  0.5563  1.8465
+ 3028TIP3    H210533   1.848   5.772   3.905  1.1279 -0.4119  1.2973
+ 3029TIP3   OH210534   2.572   1.377   4.699  0.0940  0.2997  0.1308
+ 3029TIP3    H110535   2.515   1.325   4.756 -0.2537  0.4681 -0.0574
+ 3029TIP3    H210536   2.511   1.428   4.645  0.3857 -1.4534 -1.8947
+ 3030TIP3   OH210537   0.823   2.195   1.478  0.0946 -0.1039 -0.0417
+ 3030TIP3    H110538   0.803   2.270   1.422  0.2794  0.7471  1.0187
+ 3030TIP3    H210539   0.893   2.148   1.432 -0.5194 -0.0398 -1.0590
+ 3031TIP3   OH210540   6.742   1.107   2.507 -0.5684  0.0527  0.1658
+ 3031TIP3    H110541   6.673   1.077   2.448  0.7521 -1.2845 -0.7508
+ 3031TIP3    H210542   6.753   1.200   2.485 -1.7593  0.1604  0.0105
+ 3032TIP3   OH210543   0.158   6.087   1.694 -0.0428 -0.8455  0.0880
+ 3032TIP3    H110544   0.211   6.106   1.616 -0.6019 -1.9938 -0.5891
+ 3032TIP3    H210545   0.079   6.139   1.682 -0.5910 -1.8246 -0.6546
+ 3033TIP3   OH210546   1.694   6.389   1.260  0.8104 -0.4342 -0.6963
+ 3033TIP3    H110547   1.697   6.468   1.205  1.0504 -0.3936 -0.6252
+ 3033TIP3    H210548   1.659   6.420   1.344  0.2473 -0.5346 -0.8894
+ 3034TIP3   OH210549   6.335   0.534   2.581  0.0618 -0.1264 -0.4714
+ 3034TIP3    H110550   6.388   0.535   2.661 -0.3903  0.9352 -0.1854
+ 3034TIP3    H210551   6.245   0.545   2.612 -0.0367  1.1129 -1.1773
+ 3035TIP3   OH210552   6.579   2.037   3.652 -0.3960  0.1461 -0.5253
+ 3035TIP3    H110553   6.663   2.049   3.695 -0.1745  0.5349 -1.0602
+ 3035TIP3    H210554   6.570   2.113   3.595 -0.4782 -0.5734 -1.4917
+ 3036TIP3   OH210555   1.785   2.360   1.426  0.0369 -0.8064  0.3071
+ 3036TIP3    H110556   1.863   2.322   1.384  0.4641  0.5434 -0.1351
+ 3036TIP3    H210557   1.739   2.406   1.356 -1.3283 -1.8326  0.5073
+ 3037TIP3   OH210558   0.843   1.806   1.331  0.2456  0.2710 -0.3517
+ 3037TIP3    H110559   0.779   1.749   1.288  0.0099  0.5477 -0.3723
+ 3037TIP3    H210560   0.857   1.877   1.268 -0.3552  0.8562  0.1688
+ 3038TIP3   OH210561   1.378   0.091   2.170  0.0332 -0.1947 -0.2433
+ 3038TIP3    H110562   1.459   0.044   2.151  1.2002  1.6916 -0.1147
+ 3038TIP3    H210563   1.326   0.085   2.090  0.3908 -1.2165 -0.4044
+ 3039TIP3   OH210564   0.869   0.962   4.858  0.3082  0.5788 -0.3112
+ 3039TIP3    H110565   0.799   0.913   4.900 -1.5825  1.7202 -2.0320
+ 3039TIP3    H210566   0.949   0.934   4.903 -1.3464 -0.0570  2.2963
+ 3040TIP3   OH210567   2.199   2.938   2.326  0.4012 -0.2417  0.2475
+ 3040TIP3    H110568   2.209   2.898   2.240  1.6071  1.9804 -0.6866
+ 3040TIP3    H210569   2.288   2.961   2.353 -0.1162  0.4564  1.4009
+ 3041TIP3   OH210570   4.214   6.858   2.617  0.1943 -0.1184  0.1397
+ 3041TIP3    H110571   4.273   6.892   2.684  0.6544 -1.8544  0.6327
+ 3041TIP3    H210572   4.214   6.925   2.549 -0.1899  1.6203  1.8032
+ 3042TIP3   OH210573   3.038   2.222   1.775 -0.1514  0.3228  0.2479
+ 3042TIP3    H110574   3.053   2.220   1.680 -1.3480 -0.0954  0.0614
+ 3042TIP3    H210575   3.066   2.310   1.802 -0.0966  0.5488 -0.5387
+ 3043TIP3   OH210576   3.160   1.852   1.114  0.3659  0.3820 -0.2286
+ 3043TIP3    H110577   3.246   1.845   1.156 -0.8397 -3.1354  1.8542
+ 3043TIP3    H210578   3.169   1.803   1.032  0.5772  0.7120 -0.4028
+ 3044TIP3   OH210579   6.091   0.276   1.118  0.3637 -0.4629 -0.2887
+ 3044TIP3    H110580   6.140   0.341   1.068  1.6453 -0.8106  0.4879
+ 3044TIP3    H210581   6.091   0.198   1.063 -0.2945 -0.1288 -0.7732
+ 3045TIP3   OH210582   1.109   2.887   1.430 -0.3156  0.4680  0.5818
+ 3045TIP3    H110583   1.091   2.941   1.354  2.6457  0.8171  0.0573
+ 3045TIP3    H210584   1.097   2.946   1.505 -0.7676  0.8188  0.2353
+ 3046TIP3   OH210585   6.735   5.792   4.304 -0.2353 -0.2970  0.3859
+ 3046TIP3    H110586   6.654   5.829   4.340  0.1163  2.7822 -1.8126
+ 3046TIP3    H210587   6.804   5.824   4.362 -0.1906  0.3400 -0.0204
+ 3047TIP3   OH210588   2.192   0.111   4.435 -0.8183 -0.0214  0.2008
+ 3047TIP3    H110589   2.273   0.141   4.395 -2.9379  1.1909 -3.3861
+ 3047TIP3    H210590   2.203   0.016   4.445  1.5729  0.3227  1.2318
+ 3048TIP3   OH210591   0.749   1.107   2.910 -0.2093 -0.2079 -0.0816
+ 3048TIP3    H110592   0.712   1.196   2.915  0.0510  0.0158 -1.8417
+ 3048TIP3    H210593   0.752   1.078   3.001  1.4032  2.3058  0.7384
+ 3049TIP3   OH210594   6.723   0.507   4.168 -0.3741  0.3268 -0.4047
+ 3049TIP3    H110595   6.641   0.474   4.205 -0.7314  1.0903 -0.4881
+ 3049TIP3    H210596   6.695   0.575   4.107  0.3224  0.5431 -0.4842
+ 3050TIP3   OH210597   1.246   5.819   2.088  0.0220  0.4755  0.3679
+ 3050TIP3    H110598   1.313   5.833   2.154  0.7887  0.4404 -0.3961
+ 3050TIP3    H210599   1.196   5.744   2.119  1.6042 -0.7709 -0.0638
+ 3051TIP3   OH210600   0.907   0.567   1.077 -0.2426  0.1672 -0.3867
+ 3051TIP3    H110601   0.832   0.592   1.023 -0.8831 -0.7333  0.0642
+ 3051TIP3    H210602   0.869   0.515   1.148  1.0798 -2.7905 -1.7423
+ 3052TIP3   OH210603   1.290   0.594   2.251 -0.5239 -0.6124 -0.0573
+ 3052TIP3    H110604   1.380   0.593   2.219 -0.6996 -1.4722 -0.5315
+ 3052TIP3    H210605   1.238   0.624   2.176 -0.7529 -1.1340 -0.1107
+ 3053TIP3   OH210606   2.164   2.047   6.699 -0.6593 -0.5277 -0.1353
+ 3053TIP3    H110607   2.083   2.052   6.750 -0.7276  2.3231 -0.4710
+ 3053TIP3    H210608   2.232   2.077   6.758 -0.4738  1.0362 -1.0992
+ 3054TIP3   OH210609   1.577   1.482   5.024 -0.9299 -0.0080 -0.1924
+ 3054TIP3    H110610   1.544   1.526   4.945 -1.1816 -0.2330 -0.2154
+ 3054TIP3    H210611   1.500   1.436   5.059 -0.8155  0.0854  0.1780
+ 3055TIP3   OH210612   1.497   1.803   5.207 -0.4486  0.2487 -0.2556
+ 3055TIP3    H110613   1.514   1.782   5.298 -0.0084 -0.5655 -0.5303
+ 3055TIP3    H210614   1.414   1.759   5.187 -0.7466  0.7486 -0.1405
+ 3056TIP3   OH210615   0.103   2.519   3.688  0.1690 -0.0487 -0.3466
+ 3056TIP3    H110616   0.171   2.574   3.651 -0.5134  1.0263 -0.0188
+ 3056TIP3    H210617   0.113   2.435   3.644  2.0608 -0.0656  0.1057
+ 3057TIP3   OH210618   1.859   5.729   2.469 -0.0731 -0.0227 -0.5221
+ 3057TIP3    H110619   1.830   5.662   2.531 -1.1548  1.3485  0.5156
+ 3057TIP3    H210620   1.897   5.681   2.396 -0.2268 -1.7282  0.5046
+ 3058TIP3   OH210621   5.239   1.664   4.142  0.0564 -0.4154  0.2713
+ 3058TIP3    H110622   5.187   1.585   4.130  0.7384 -0.6921 -1.0052
+ 3058TIP3    H210623   5.207   1.724   4.074 -0.5250  0.4425  1.2922
+ 3059TIP3   OH210624   1.388   2.117   2.695  0.4776  0.2312  0.0481
+ 3059TIP3    H110625   1.416   2.056   2.627 -0.7692  2.9370 -3.0409
+ 3059TIP3    H210626   1.463   2.176   2.706  0.7007 -0.2370  1.1194
+ 3060TIP3   OH210627   6.446   0.151   3.180  0.1530 -0.0730 -0.1536
+ 3060TIP3    H110628   6.471   0.064   3.209 -1.4650 -0.3341  0.5085
+ 3060TIP3    H210629   6.518   0.180   3.123 -0.5074 -2.8951 -2.5230
+ 3061TIP3   OH210630   1.569   0.989   3.223 -0.0632 -0.0665 -0.5791
+ 3061TIP3    H110631   1.602   0.904   3.193 -0.8128 -0.0683 -1.3951
+ 3061TIP3    H210632   1.605   1.053   3.161 -0.0014  0.1505 -0.3220
+ 3062TIP3   OH210633   2.727   1.687   1.871 -0.1332  0.5993  0.5988
+ 3062TIP3    H110634   2.658   1.744   1.836 -1.2641 -0.2861  1.3719
+ 3062TIP3    H210635   2.784   1.670   1.796 -1.5257  0.2069 -0.3894
+ 3063TIP3   OH210636   1.883   1.369   2.039 -0.2816 -0.3899  0.0666
+ 3063TIP3    H110637   1.856   1.316   2.114 -1.4059  0.8618  0.5653
+ 3063TIP3    H210638   1.830   1.449   2.046  1.2267  0.7064 -0.7954
+ 3064TIP3   OH210639   0.149   5.430   2.094  0.1717 -0.5694 -0.2237
+ 3064TIP3    H110640   0.077   5.474   2.048  1.1033  0.9047 -0.2964
+ 3064TIP3    H210641   0.223   5.436   2.033  1.0632  0.2320  0.9313
+ 3065TIP3   OH210642   2.149   2.038   2.344  0.0905 -0.0516 -0.2782
+ 3065TIP3    H110643   2.209   2.061   2.415  1.5569 -1.0020 -1.1816
+ 3065TIP3    H210644   2.074   1.997   2.387 -0.8234  2.8162  1.0362
+ 3066TIP3   OH210645   0.946   2.287   2.733  0.3291 -0.2525  0.1535
+ 3066TIP3    H110646   0.875   2.266   2.672 -0.5517  0.9054  0.7388
+ 3066TIP3    H210647   0.973   2.203   2.768 -0.3440 -0.7694 -0.5373
+ 3067TIP3   OH210648   1.417   2.362   1.787  0.7589 -0.4535 -0.5810
+ 3067TIP3    H110649   1.323   2.342   1.780  0.5221  0.0313  1.1058
+ 3067TIP3    H210650   1.438   2.405   1.704 -0.8735  0.8778 -0.3319
+ 3068TIP3   OH210651   2.276   1.621   2.819  0.4597  0.4941  0.8114
+ 3068TIP3    H110652   2.228   1.692   2.861  0.3601  0.1107  1.3431
+ 3068TIP3    H210653   2.271   1.641   2.726  0.0474  0.9437  0.9288
+ 3069TIP3   OH210654   5.546   6.125   1.629 -0.3711 -0.0209  0.6427
+ 3069TIP3    H110655   5.523   6.144   1.720 -4.2013  0.3969 -0.3184
+ 3069TIP3    H210656   5.463   6.131   1.582  1.5290 -0.2461 -2.8963
+ 3070TIP3   OH210657   2.154   5.785   4.019  0.2077  0.6691  0.3247
+ 3070TIP3    H110658   2.231   5.842   4.015  0.1659  0.6453 -0.7475
+ 3070TIP3    H210659   2.173   5.713   3.959 -1.6809  1.9337 -1.8643
+ 3071TIP3   OH210660   0.600   2.122   2.039  0.0260  0.3453  0.2017
+ 3071TIP3    H110661   0.615   2.175   2.117 -1.7727  1.5662 -0.2615
+ 3071TIP3    H210662   0.573   2.037   2.073 -0.5530  0.8074  0.9091
+ 3072TIP3   OH210663   0.607   6.232   3.009 -0.5023 -0.0776 -0.0894
+ 3072TIP3    H110664   0.594   6.306   2.950 -1.3618 -1.1707 -1.3198
+ 3072TIP3    H210665   0.553   6.162   2.971  1.0900 -1.6423  0.4452
+ 3073TIP3   OH210666   1.947   0.611   0.778 -0.4697 -0.3243  0.1176
+ 3073TIP3    H110667   1.885   0.632   0.848 -0.5229 -0.2411  0.0452
+ 3073TIP3    H210668   1.907   0.648   0.699  0.0676  0.4295  0.1984
+ 3074TIP3   OH210669   1.646   5.963   1.936  0.1131 -0.1898  0.0386
+ 3074TIP3    H110670   1.618   6.020   1.864  0.4728 -0.3386 -0.2248
+ 3074TIP3    H210671   1.589   5.986   2.009 -0.9403 -0.7668 -0.5969
+ 3075TIP3   OH210672   0.171   6.654   4.107  0.2910  0.1102 -0.0360
+ 3075TIP3    H110673   0.224   6.713   4.053 -1.6690 -0.5028 -2.7196
+ 3075TIP3    H210674   0.208   6.567   4.091 -0.1840 -0.0505 -0.2733
+ 3076TIP3   OH210675   1.242   2.135   3.838 -0.0624 -0.2029 -0.1608
+ 3076TIP3    H110676   1.213   2.089   3.916 -0.4607 -0.3071 -0.3685
+ 3076TIP3    H210677   1.331   2.165   3.859  0.1115 -0.8634  0.0593
+ 3077TIP3   OH210678   1.195   1.535   1.762 -0.1018 -0.2540  0.0398
+ 3077TIP3    H110679   1.209   1.473   1.691  1.7517 -0.3446  0.4751
+ 3077TIP3    H210680   1.170   1.617   1.719 -2.2654 -1.1716 -0.5462
+ 3078TIP3   OH210681   0.303   6.040   4.129 -0.7084 -0.6761  0.1249
+ 3078TIP3    H110682   0.274   5.951   4.149 -1.0157 -0.5802  0.1125
+ 3078TIP3    H210683   0.225   6.094   4.142 -0.6190 -0.4596 -0.2242
+ 3079TIP3   OH210684   2.333   2.238   3.382 -0.3469 -1.2010  0.2807
+ 3079TIP3    H110685   2.270   2.235   3.310 -0.7863 -1.6885  0.6822
+ 3079TIP3    H210686   2.302   2.310   3.438  0.4884 -0.2478 -0.4605
+ 3080TIP3   OH210687   2.505   1.381   1.964 -0.8575  0.2504 -0.3001
+ 3080TIP3    H110688   2.509   1.474   1.941 -0.4646  0.6800  1.4416
+ 3080TIP3    H210689   2.588   1.345   1.932  0.4524  1.2011  1.8966
+ 3081TIP3   OH210690   0.720   6.019   1.378 -0.0996  0.1392  0.7093
+ 3081TIP3    H110691   0.761   6.084   1.435 -0.7665  1.0044  0.2113
+ 3081TIP3    H210692   0.766   6.027   1.295  1.6320 -1.8925  1.4126
+ 3082TIP3   OH210693   1.276   6.808   3.082 -0.5847 -0.0538  0.1242
+ 3082TIP3    H110694   1.309   6.798   3.171  1.0460  1.0785 -0.3185
+ 3082TIP3    H210695   1.182   6.824   3.092 -0.1356  1.8369  1.7508
+ 3083TIP3   OH210696   4.975   6.660   2.763  0.2853 -0.0942  0.4433
+ 3083TIP3    H110697   5.014   6.734   2.810  1.9289  0.5051 -1.7161
+ 3083TIP3    H210698   4.908   6.626   2.821  0.6238  2.0887  2.1681
+ 3084TIP3   OH210699   1.446   5.393   3.801 -0.4924  0.0322 -0.4924
+ 3084TIP3    H110700   1.461   5.336   3.877 -2.6627  0.6465  0.4338
+ 3084TIP3    H210701   1.525   5.447   3.796 -0.5228  0.3342  1.6370
+ 3085TIP3   OH210702   0.659   0.880   3.107  0.4620  0.3006 -0.2539
+ 3085TIP3    H110703   0.753   0.870   3.122  0.6125 -0.1491 -1.4741
+ 3085TIP3    H210704   0.620   0.875   3.195  1.5923  0.7127  0.2723
+ 3086TIP3   OH210705   6.723   4.615   1.621 -0.3741 -0.2884  0.3659
+ 3086TIP3    H110706   6.777   4.688   1.652  1.0103 -0.6088 -1.2390
+ 3086TIP3    H210707   6.633   4.647   1.630  0.2504  2.7041 -2.8673
+ 3087TIP3   OH210708   0.661   0.848   2.571  0.9800 -0.4459  0.6127
+ 3087TIP3    H110709   0.641   0.813   2.658  0.8592  1.7513  1.5086
+ 3087TIP3    H210710   0.753   0.828   2.558  0.6227 -2.1184  0.5908
+ 3088TIP3   OH210711   0.716   6.806   2.186 -0.8002  0.3524 -0.0728
+ 3088TIP3    H110712   0.738   6.747   2.113 -0.5552 -0.2911  0.5186
+ 3088TIP3    H210713   0.627   6.781   2.211 -1.3095  1.3156 -0.8601
+ 3089TIP3   OH210714   1.636   2.693   3.657  0.1686  0.3199  0.0380
+ 3089TIP3    H110715   1.567   2.756   3.635  0.6026  0.5100 -0.8372
+ 3089TIP3    H210716   1.712   2.748   3.677 -0.0395  0.1261  1.4331
+ 3090TIP3   OH210717   6.359   1.783   3.303 -0.2783 -0.0221  1.2058
+ 3090TIP3    H110718   6.445   1.743   3.285 -0.2052  0.4583  0.4572
+ 3090TIP3    H210719   6.321   1.795   3.217  0.4725  3.2375  1.2799
+ 3091TIP3   OH210720   0.751   1.174   1.482  0.0510  1.0012 -0.1813
+ 3091TIP3    H110721   0.770   1.267   1.498  1.6704  1.0023 -1.9092
+ 3091TIP3    H210722   0.791   1.156   1.397 -0.4140 -1.2528  0.0486
+ 3092TIP3   OH210723   1.191   0.303   0.844 -0.4551  0.1748 -0.2348
+ 3092TIP3    H110724   1.147   0.307   0.929  0.9017  2.5254  0.3912
+ 3092TIP3    H210725   1.270   0.252   0.861 -1.4986 -1.6226 -0.7101
+ 3093TIP3   OH210726   1.602   2.206   3.280 -0.3967 -0.3001 -0.5256
+ 3093TIP3    H110727   1.523   2.223   3.229  0.5640  1.4051 -1.4949
+ 3093TIP3    H210728   1.674   2.231   3.221  0.8285 -0.8591  0.7041
+ 3094TIP3   OH210729   6.153   3.963   1.864 -0.5491 -0.6008  0.7563
+ 3094TIP3    H110730   6.081   3.940   1.923  0.3492 -0.9372  1.7491
+ 3094TIP3    H210731   6.217   4.006   1.921 -0.4948  0.8008 -0.3423
+ 3095TIP3   OH210732   1.894   6.656   3.342 -0.4823  0.4355  0.4365
+ 3095TIP3    H110733   1.808   6.645   3.381  0.0616 -0.7214  1.3157
+ 3095TIP3    H210734   1.922   6.743   3.371 -0.9173  0.3861  1.0135
+ 3096TIP3   OH210735   5.705   6.705   2.348  0.2688 -0.6280 -0.0984
+ 3096TIP3    H110736   5.642   6.775   2.368  0.6797 -0.5439  0.9495
+ 3096TIP3    H210737   5.729   6.720   2.257 -1.2255 -0.6572 -0.5046
+ 3097TIP3   OH210738   2.144   2.031   1.982 -0.1552 -0.2636 -0.1151
+ 3097TIP3    H110739   2.097   2.114   1.983 -0.4493 -0.4472  1.9120
+ 3097TIP3    H210740   2.223   2.049   1.930 -0.3995  1.1613 -0.0094
+ 3098TIP3   OH210741   2.575   6.433   2.972 -0.3387  0.4717 -0.5121
+ 3098TIP3    H110742   2.652   6.486   2.988 -0.9138  1.3785 -0.6823
+ 3098TIP3    H210743   2.600   6.344   2.997  1.0389  0.5908 -1.4109
+ 3099TIP3   OH210744   6.810   0.859   2.199  0.0600 -0.2380  0.8930
+ 3099TIP3    H110745   6.754   0.853   2.276  0.4228  0.1800  1.1891
+ 3099TIP3    H210746   6.749   0.862   2.125 -0.2684 -2.8005  1.0007
+ 3100TIP3   OH210747   0.876   1.344   0.584 -0.0350  0.3155  0.2230
+ 3100TIP3    H110748   0.960   1.347   0.630  0.7142  1.5913 -1.1744
+ 3100TIP3    H210749   0.863   1.434   0.552 -1.1046 -0.2547 -0.9952
+ 3101TIP3   OH210750   6.788   1.612   2.322  0.4198  0.1312 -0.4185
+ 3101TIP3    H110751   6.814   1.595   2.231  1.6333 -0.7666  0.0896
+ 3101TIP3    H210752   6.836   1.690   2.346  1.6347 -0.7659  0.0890
+ 3102TIP3   OH210753   1.701   5.941   2.797  0.4864  0.2043 -0.0397
+ 3102TIP3    H110754   1.666   5.984   2.719  1.3894 -0.8261 -1.0276
+ 3102TIP3    H210755   1.625   5.905   2.842 -0.1414  1.6764  0.1000
+ 3103TIP3   OH210756   0.916   0.721   0.487 -0.0545 -0.0872  0.4038
+ 3103TIP3    H110757   0.862   0.672   0.549  2.8574 -1.0122  2.3185
+ 3103TIP3    H210758   0.972   0.654   0.446  0.6551  1.0306 -0.4849
+ 3104TIP3   OH210759   2.551   1.765   1.522  0.4493 -0.0577  0.1113
+ 3104TIP3    H110760   2.626   1.822   1.541  0.3480 -0.3846  1.6214
+ 3104TIP3    H210761   2.577   1.680   1.556 -0.9438  0.0337  1.4898
+ 3105TIP3   OH210762   2.483   0.931   5.851  0.0421  0.1000 -0.1800
+ 3105TIP3    H110763   2.472   0.950   5.944 -1.1263 -1.1657 -0.0431
+ 3105TIP3    H210764   2.565   0.882   5.846  0.9600  1.5900 -0.0384
+ 3106TIP3   OH210765   2.660   2.245   1.276 -0.0093 -0.0223  0.5317
+ 3106TIP3    H110766   2.681   2.338   1.276 -0.5092  0.0906 -0.9620
+ 3106TIP3    H210767   2.647   2.224   1.369  1.0745  1.1575  0.9694
+ 3107TIP3   OH210768   2.872   6.491   4.161 -0.4066 -0.1254 -0.4925
+ 3107TIP3    H110769   2.958   6.529   4.146 -1.3148  2.2011  0.0419
+ 3107TIP3    H210770   2.857   6.502   4.255 -2.1443  1.4164 -0.9189
+ 3108TIP3   OH210771   2.528   0.626   1.676 -0.4300 -0.1992  0.1294
+ 3108TIP3    H110772   2.474   0.698   1.643 -0.3407 -0.7500 -1.2584
+ 3108TIP3    H210773   2.570   0.589   1.598  0.2634 -1.1551  0.9331
+ 3109TIP3   OH210774   6.665   1.681   2.631 -0.6853  0.5343 -0.0072
+ 3109TIP3    H110775   6.638   1.589   2.622  0.0025  0.1832  1.2901
+ 3109TIP3    H210776   6.589   1.731   2.603 -0.8417 -0.4331 -1.3604
+ 3110TIP3   OH210777   0.496   0.565   2.213  0.2404 -0.0693 -0.1479
+ 3110TIP3    H110778   0.509   0.629   2.283  1.2353 -0.2482 -0.1680
+ 3110TIP3    H210779   0.410   0.527   2.231 -0.3683  1.2729 -0.1391
+ 3111TIP3   OH210780   1.815   0.093   4.092 -0.3871  0.0731  0.1662
+ 3111TIP3    H110781   1.851   0.122   4.176  1.3420  2.2246 -1.2508
+ 3111TIP3    H210782   1.838   0.163   4.030 -2.6235 -0.9141 -1.8780
+ 3112TIP3   OH210783   3.450   1.209   1.788 -0.6572 -0.1466 -0.4095
+ 3112TIP3    H110784   3.501   1.134   1.757  0.7962  0.9876 -0.8292
+ 3112TIP3    H210785   3.515   1.270   1.821 -2.0433 -0.4844  3.1798
+ 3113TIP3   OH210786   1.436   6.645   4.441 -0.7123 -0.0284 -0.0512
+ 3113TIP3    H110787   1.479   6.561   4.457  0.2964  0.6130  0.6991
+ 3113TIP3    H210788   1.452   6.695   4.520 -1.3427  0.8571 -0.4794
+ 3114TIP3   OH210789   3.175   3.075   2.035 -0.4366  0.6204  0.3012
+ 3114TIP3    H110790   3.207   3.141   1.973 -1.0339 -0.9013 -1.7200
+ 3114TIP3    H210791   3.104   3.119   2.083 -0.0270  1.8147 -0.1652
+ 3115TIP3   OH210792   1.369   4.747   4.415  0.0905 -0.1578  0.3072
+ 3115TIP3    H110793   1.372   4.652   4.402  2.0569 -0.1858  0.8384
+ 3115TIP3    H210794   1.398   4.761   4.505  0.3733  0.9815  0.0543
+ 3116TIP3   OH210795   1.784   2.478   2.592  1.3306 -0.3032  0.3316
+ 3116TIP3    H110796   1.749   2.532   2.521  0.3042 -1.8988 -0.3987
+ 3116TIP3    H210797   1.869   2.519   2.613  0.5830  1.5754 -0.1860
+ 3117TIP3   OH210798   5.969   2.409   3.677 -0.5744  0.7696  0.2312
+ 3117TIP3    H110799   5.902   2.428   3.612  0.5595  2.3965 -0.4874
+ 3117TIP3    H210800   5.966   2.484   3.737  0.9365  1.0980 -0.0910
+ 3118TIP3   OH210801   1.846   2.676   2.989  1.1387  0.3632 -0.0400
+ 3118TIP3    H110802   1.853   2.760   2.943 -0.2135 -0.0525 -1.0421
+ 3118TIP3    H210803   1.879   2.612   2.926 -0.6759 -0.2061 -0.4558
+ 3119TIP3   OH210804   3.510   0.853   0.287  0.3640  0.2045 -0.0871
+ 3119TIP3    H110805   3.516   0.771   0.239  2.8449 -0.1107  0.6587
+ 3119TIP3    H210806   3.594   0.895   0.272 -0.2678  1.8476  0.8902
+ 3120TIP3   OH210807   2.564   1.755   4.600 -0.2943 -0.2140  0.1569
+ 3120TIP3    H110808   2.473   1.747   4.571  0.3059 -1.4647 -1.5051
+ 3120TIP3    H210809   2.605   1.811   4.534 -0.4468  2.6393  2.3790
+ 3121TIP3   OH210810   2.208   5.468   3.149  0.0660 -0.6047  0.1404
+ 3121TIP3    H110811   2.250   5.398   3.099  0.0159 -0.2445 -0.4025
+ 3121TIP3    H210812   2.198   5.540   3.087 -0.2371 -0.2513  0.5958
+ 3122TIP3   OH210813   0.687   2.113   1.763  0.2227  0.5311 -0.3113
+ 3122TIP3    H110814   0.675   2.096   1.856 -1.0018  0.4307 -0.4840
+ 3122TIP3    H210815   0.744   2.042   1.733  0.8937  0.7469  0.4139
+ 3123TIP3   OH210816   1.537   0.891   2.505 -0.2024  0.0856  0.3761
+ 3123TIP3    H110817   1.588   0.909   2.584 -1.0081 -0.7585  1.1068
+ 3123TIP3    H210818   1.540   0.795   2.497 -0.8061  0.1104 -0.1479
+ 3124TIP3   OH210819   2.248   1.277   1.251 -0.1453  0.2024  0.4037
+ 3124TIP3    H110820   2.153   1.281   1.258 -0.0044  0.6474  2.2210
+ 3124TIP3    H210821   2.266   1.198   1.201 -1.4788  0.2714 -0.1851
+ 3125TIP3   OH210822   1.079   5.985   2.962  0.1576  0.4102  0.2621
+ 3125TIP3    H110823   1.008   6.049   2.961 -0.9575 -0.8189 -0.6205
+ 3125TIP3    H210824   1.142   6.018   2.899 -0.3562  0.7058 -0.0996
+ 3126TIP3   OH210825   0.135   1.924   3.188 -0.4190 -0.0831  0.0136
+ 3126TIP3    H110826   0.056   1.922   3.133 -0.5457 -0.7489  0.2101
+ 3126TIP3    H210827   0.197   1.978   3.140 -0.0345 -1.7823 -1.4835
+ 3127TIP3   OH210828   0.078   5.975   5.198  0.0888  0.6716  0.3331
+ 3127TIP3    H110829   0.166   5.939   5.191 -0.9096 -1.9044  0.2620
+ 3127TIP3    H210830   0.042   5.934   5.277 -2.0243 -0.6429 -1.2305
+ 3128TIP3   OH210831   0.900   5.278   3.160 -0.1708 -0.3195  0.1404
+ 3128TIP3    H110832   0.982   5.321   3.137  0.4919 -2.3431 -1.4513
+ 3128TIP3    H210833   0.924   5.216   3.229 -0.5482 -0.1728  0.4046
+ 3129TIP3   OH210834   6.158   4.508   4.607  0.0934 -0.1335  0.3018
+ 3129TIP3    H110835   6.237   4.503   4.660  0.1288  1.4116  0.4104
+ 3129TIP3    H210836   6.179   4.459   4.527  0.1520 -2.1838  1.5446
+ 3130TIP3   OH210837   6.469   2.283   3.359  0.1286  0.1003  0.0340
+ 3130TIP3    H110838   6.490   2.318   3.446  1.1453  2.7203 -1.2146
+ 3130TIP3    H210839   6.375   2.299   3.349  0.1054  0.2284  0.4589
+ 3131TIP3   OH210840   2.167   6.824   4.164 -0.1513  0.8139 -0.6904
+ 3131TIP3    H110841   2.176   6.890   4.095 -1.9825  1.7843 -0.0444
+ 3131TIP3    H210842   2.083   6.781   4.144 -0.0138  0.1681  0.1303
+ 3132TIP3   OH210843   2.126   2.852   3.034  0.7271 -0.5706  0.1202
+ 3132TIP3    H110844   2.045   2.866   2.985  0.6669 -1.6351 -0.0887
+ 3132TIP3    H210845   2.140   2.934   3.080 -0.3525 -0.2985 -0.0237
+ 3133TIP3   OH210846   0.100   6.252   5.567 -0.6933 -0.1042  0.3373
+ 3133TIP3    H110847   0.071   6.330   5.615 -0.5503  0.1660 -0.0188
+ 3133TIP3    H210848   0.085   6.273   5.475  0.1047 -0.1809  0.1857
+ 3134TIP3   OH210849   1.453   0.767   3.573 -0.3099  0.4228  0.0121
+ 3134TIP3    H110850   1.537   0.725   3.550 -0.3137 -0.0781  0.8796
+ 3134TIP3    H210851   1.470   0.860   3.563  0.2503  0.3078 -0.1723
+ 3135TIP3   OH210852   1.675   0.070   4.485  0.1523  0.6751 -0.3164
+ 3135TIP3    H110853   1.702   0.076   4.394 -1.4750 -1.5153 -0.9882
+ 3135TIP3    H210854   1.617  -0.007   4.488  0.7703  0.2621  2.6875
+ 3136TIP3   OH210855   1.816   3.077   4.536  0.2630  0.3171 -0.0860
+ 3136TIP3    H110856   1.907   3.102   4.546 -0.0345  0.3948  2.7873
+ 3136TIP3    H210857   1.777   3.147   4.485  1.3271  1.4259  0.5948
+ 3137TIP3   OH210858   3.692   1.931   2.652  0.4267  0.3816  0.4212
+ 3137TIP3    H110859   3.653   2.001   2.600 -2.2950 -2.7328 -1.9114
+ 3137TIP3    H210860   3.622   1.868   2.664  2.5820 -1.6192  3.1826
+ 3138TIP3   OH210861   1.758   0.187   3.211 -0.7300  0.0018  0.1360
+ 3138TIP3    H110862   1.668   0.160   3.232 -0.9342 -0.7491 -1.5629
+ 3138TIP3    H210863   1.758   0.196   3.116  0.8672  0.5033  0.1731
+ 3139TIP3   OH210864   1.030   0.055   3.120  0.4857 -0.1411 -0.3866
+ 3139TIP3    H110865   1.006   0.133   3.070 -0.9614 -0.8043 -0.7537
+ 3139TIP3    H210866   1.076   0.089   3.196  0.2674  1.0510 -0.7640
+ 3140TIP3   OH210867   1.276   6.644   2.683  0.0408 -0.3645 -0.3515
+ 3140TIP3    H110868   1.322   6.601   2.755  1.1320  0.2538 -0.6481
+ 3140TIP3    H210869   1.207   6.694   2.725  1.5191  1.0868  0.4302
+ 3141TIP3   OH210870   5.466   5.828   2.584  0.2370  0.3290 -0.1614
+ 3141TIP3    H110871   5.391   5.884   2.606 -0.8171 -0.6515 -1.1442
+ 3141TIP3    H210872   5.502   5.866   2.505 -0.0033  0.0855 -0.3914
+ 3142TIP3   OH210873   6.381   0.576   4.066 -0.3569  0.1974 -0.0617
+ 3142TIP3    H110874   6.349   0.539   3.984 -0.5763  1.3893 -0.5295
+ 3142TIP3    H210875   6.322   0.649   4.083  0.6093  0.8778  0.3702
+ 3143TIP3   OH210876   0.416   1.356   1.889  0.4367 -0.2795 -0.3663
+ 3143TIP3    H110877   0.507   1.326   1.894  0.8793  1.3371  1.8605
+ 3143TIP3    H210878   0.369   1.301   1.952  0.6770  1.5706  1.4752
+ 3144TIP3   OH210879   1.142   1.131   3.736  0.1288 -0.7441  0.0283
+ 3144TIP3    H110880   1.134   1.072   3.811 -1.0271 -0.8373 -0.1683
+ 3144TIP3    H210881   1.053   1.140   3.702  0.1749  1.6621  0.4691
+ 3145TIP3   OH210882   1.806   1.459   3.356 -0.0835  0.4438 -0.2617
+ 3145TIP3    H110883   1.852   1.514   3.420  0.7690  0.1808 -0.6361
+ 3145TIP3    H210884   1.836   1.492   3.271 -0.7471  0.3969 -0.5162
+ 3146TIP3   OH210885   5.939   1.284   4.214 -0.7772  0.1248  0.2914
+ 3146TIP3    H110886   5.973   1.239   4.292  0.5095  0.7269  0.0959
+ 3146TIP3    H210887   5.905   1.367   4.248  1.1225  1.0387  0.0489
+ 3147TIP3   OH210888   0.518   2.365   3.658 -0.5714 -0.0912  0.0367
+ 3147TIP3    H110889   0.534   2.281   3.701 -0.7659 -0.1861 -0.0728
+ 3147TIP3    H210890   0.531   2.431   3.726 -0.5622 -0.2202  0.1599
+ 3148TIP3   OH210891   0.187   5.981   3.099  0.2218 -0.0328 -0.0838
+ 3148TIP3    H110892   0.235   5.906   3.064  2.0543  0.5440  1.1558
+ 3148TIP3    H210893   0.100   5.974   3.059  0.3135 -2.8694  0.0892
+ 3149TIP3   OH210894   4.216   0.361   0.821 -0.2309  1.1058  0.7331
+ 3149TIP3    H110895   4.229   0.445   0.776 -2.8364  0.4883 -1.3556
+ 3149TIP3    H210896   4.259   0.297   0.764 -0.6899  0.7053  0.8315
+ 3150TIP3   OH210897   6.236   6.289   3.264  0.2307 -1.2367  0.1529
+ 3150TIP3    H110898   6.277   6.344   3.198 -1.7407  0.8763  0.6602
+ 3150TIP3    H210899   6.268   6.324   3.348 -1.9364 -0.0737  0.5223
+ 3151TIP3   OH210900   5.629   2.832   4.291 -0.0074 -0.1948 -0.1481
+ 3151TIP3    H110901   5.715   2.844   4.251 -0.5874  0.7892 -1.1343
+ 3151TIP3    H210902   5.603   2.743   4.267 -0.7437  0.6863 -2.8075
+ 3152TIP3   OH210903   0.248   0.885   3.742 -0.5389 -0.1459 -0.1716
+ 3152TIP3    H110904   0.308   0.866   3.670  0.0990 -1.2599  0.6444
+ 3152TIP3    H210905   0.196   0.806   3.753 -1.0152  0.2149  0.2354
+ 3153TIP3   OH210906   0.874   0.576   0.058 -0.8071 -0.9052  0.4199
+ 3153TIP3    H110907   0.841   0.541   0.140  1.2238 -1.8972  0.8426
+ 3153TIP3    H210908   0.883   0.499   0.001 -0.9425 -0.3966 -0.3052
+ 3154TIP3   OH210909   3.360   0.755   5.053  0.7388 -0.4135  0.1409
+ 3154TIP3    H110910   3.378   0.723   4.964  0.5767 -2.5734  0.8607
+ 3154TIP3    H210911   3.446   0.765   5.093  0.8297  0.8926 -0.3464
+ 3155TIP3   OH210912   2.463   2.089   3.693 -0.0754 -0.5310 -0.0084
+ 3155TIP3    H110913   2.489   2.160   3.634 -0.5696 -0.0034  0.4004
+ 3155TIP3    H210914   2.476   2.010   3.642  1.7035 -0.2402 -0.0365
+ 3156TIP3   OH210915   6.753   4.557   4.488 -0.1115 -0.1489  0.0962
+ 3156TIP3    H110916   6.725   4.647   4.506  0.2427  0.0622 -0.3882
+ 3156TIP3    H210917   6.808   4.534   4.563  0.1877  0.2141 -0.0074
+ 3157TIP3   OH210918   6.666   6.771   5.973 -0.0981 -0.1910 -0.3873
+ 3157TIP3    H110919   6.690   6.818   6.052 -0.7489 -1.0416  0.3276
+ 3157TIP3    H210920   6.571   6.757   5.981 -0.0149 -1.0878 -0.8593
+ 3158TIP3   OH210921   2.378   2.435   5.288  0.5441 -0.1716  0.1714
+ 3158TIP3    H110922   2.287   2.415   5.267  0.4298 -0.5153  0.9916
+ 3158TIP3    H210923   2.421   2.444   5.203 -0.4778  1.0242 -0.2425
+ 3159TIP3   OH210924   0.206   0.395   3.889 -0.2051  0.1193  0.4608
+ 3159TIP3    H110925   0.291   0.355   3.907 -1.4737 -3.1007 -0.1875
+ 3159TIP3    H210926   0.150   0.367   3.962 -1.2798  0.2654 -0.2831
+ 3160TIP3   OH210927   1.921   0.778   4.449 -0.4194  0.1414 -0.6244
+ 3160TIP3    H110928   1.836   0.738   4.430 -0.5820  0.0322  0.3110
+ 3160TIP3    H210929   1.985   0.713   4.423 -0.6655 -0.3701  0.0326
+ 3161TIP3   OH210930   6.741   0.057   1.440 -0.2448 -0.5158  0.4868
+ 3161TIP3    H110931   6.682  -0.019   1.438 -1.1263  0.1645  0.2943
+ 3161TIP3    H210932   6.805   0.037   1.508 -0.6317 -1.3152  0.6121
+ 3162TIP3   OH210933   3.871   2.028   6.650  0.2147  0.7068  0.6789
+ 3162TIP3    H110934   3.781   2.047   6.624  0.2925  0.0953 -0.0550
+ 3162TIP3    H210935   3.890   1.943   6.611  1.3955  1.2283  0.1013
+ 3163TIP3   OH210936   6.189   2.545   0.982  0.5458 -0.0092  0.7889
+ 3163TIP3    H110937   6.217   2.453   0.974  0.1944  0.0789 -1.6068
+ 3163TIP3    H210938   6.241   2.578   1.055  2.5800 -1.4318  0.0547
+ 3164TIP3   OH210939   0.253   1.710   2.248  0.0741 -0.1642  0.6550
+ 3164TIP3    H110940   0.283   1.659   2.173  0.5009 -1.4079  1.6554
+ 3164TIP3    H210941   0.265   1.801   2.221  2.3195 -0.6004  0.0174
+ 3165TIP3   OH210942   1.136   1.739   3.507  0.2967  0.2766  0.6090
+ 3165TIP3    H110943   1.187   1.698   3.436  0.4932  0.2477  0.7638
+ 3165TIP3    H210944   1.191   1.727   3.584  0.7226  1.5442  0.5159
+ 3166TIP3   OH210945   3.052   6.585   2.591 -0.5032 -0.2106  0.6086
+ 3166TIP3    H110946   3.115   6.651   2.620 -1.1465  0.1654  1.1679
+ 3166TIP3    H210947   3.021   6.617   2.506  0.7998 -0.9102 -0.1323
+ 3167TIP3   OH210948   0.855   0.275   4.619  0.2022 -0.4952  0.4339
+ 3167TIP3    H110949   0.934   0.315   4.583  0.2300 -2.7807 -2.1217
+ 3167TIP3    H210950   0.887   0.210   4.682  0.2841 -0.0727  0.8340
+ 3168TIP3   OH210951   1.872   5.429   4.222 -0.1109  0.0584 -0.8194
+ 3168TIP3    H110952   1.931   5.491   4.263  0.3370 -0.9072  0.0042
+ 3168TIP3    H210953   1.862   5.461   4.132  1.2105  0.5393 -0.8001
+ 3169TIP3   OH210954   2.655   2.784   1.932 -0.4916  0.3117 -0.3697
+ 3169TIP3    H110955   2.652   2.869   1.889 -0.2597  0.6003  0.1852
+ 3169TIP3    H210956   2.709   2.798   2.010 -0.0926 -0.4431 -0.5048
+ 3170TIP3   OH210957   0.439   4.947   3.867 -0.2078  0.2084  0.2439
+ 3170TIP3    H110958   0.506   4.965   3.934 -1.3358  1.2027  1.1199
+ 3170TIP3    H210959   0.404   4.861   3.890 -0.3888  0.4200  0.7471
+ 3171TIP3   OH210960   1.068   1.552  -0.024  0.2826  0.4566 -0.3559
+ 3171TIP3    H110961   1.036   1.520   0.061  0.7730  0.1359 -0.2899
+ 3171TIP3    H210962   1.163   1.560  -0.012  0.1299  2.2863 -0.2644
+ 3172TIP3   OH210963   3.572   0.664   2.489 -0.4355 -0.0822  0.0249
+ 3172TIP3    H110964   3.477   0.662   2.476 -0.6101 -0.6087  1.2525
+ 3172TIP3    H210965   3.583   0.680   2.583  0.7072  0.9470 -0.2673
+ 3173TIP3   OH210966   6.412   0.541   0.843 -0.0537  0.2746 -0.1099
+ 3173TIP3    H110967   6.332   0.569   0.886 -0.0599 -0.5760  0.4324
+ 3173TIP3    H210968   6.480   0.599   0.879  0.0754 -0.9397  1.6230
+ 3174TIP3   OH210969   6.078   6.887   0.816  0.4067 -0.1634 -0.1297
+ 3174TIP3    H110970   6.048   6.928   0.735 -2.5101  0.8709  1.4080
+ 3174TIP3    H210971   6.014   6.818   0.834  0.6417  0.0529  1.6193
+ 3175TIP3   OH210972   0.133   0.875   2.472 -0.3834 -0.2743  0.0651
+ 3175TIP3    H110973   0.112   0.931   2.547 -0.2091  0.1956 -0.2388
+ 3175TIP3    H210974   0.112   0.787   2.503 -0.5691 -0.0577  0.5775
+ 3176TIP3   OH210975   0.637   0.421   0.725  0.1359 -0.8156 -0.2060
+ 3176TIP3    H110976   0.727   0.392   0.715 -0.0375 -1.4374  0.0451
+ 3176TIP3    H210977   0.586   0.341   0.740 -0.3511 -0.4064  0.3771
+ 3177TIP3   OH210978   2.043   5.332   4.744  0.4593 -0.0195  0.0879
+ 3177TIP3    H110979   2.073   5.418   4.714  1.5490 -0.2344  0.5249
+ 3177TIP3    H210980   2.123   5.286   4.769 -0.1150 -1.1489 -0.0843
+ 3178TIP3   OH210981   1.880   1.463   2.696  0.0575  0.3987 -0.1081
+ 3178TIP3    H110982   1.920   1.414   2.768  0.1405  0.3627 -0.1787
+ 3178TIP3    H210983   1.876   1.554   2.728  1.7691  0.7086 -0.7711
+ 3179TIP3   OH210984   2.268   0.633   3.016 -0.2752  0.6486 -0.4327
+ 3179TIP3    H110985   2.345   0.670   2.973  0.9376 -0.3692  0.8534
+ 3179TIP3    H210986   2.249   0.694   3.088  0.3647  0.0024  0.2947
+ 3180TIP3   OH210987   2.782   0.020   2.676  0.1263 -0.6061 -0.1370
+ 3180TIP3    H110988   2.697   0.034   2.719 -0.0800  1.5275 -1.1509
+ 3180TIP3    H210989   2.760  -0.020   2.592  0.1618 -0.7466 -0.0776
+ 3181TIP3   OH210990   3.106   0.315   3.386  0.6848 -0.1723 -0.6945
+ 3181TIP3    H110991   3.135   0.383   3.326  0.8251  0.3243 -0.0675
+ 3181TIP3    H210992   3.034   0.271   3.340  0.1738  0.8054 -0.8344
+ 3182TIP3   OH210993   1.424   0.758   4.350 -0.3455  0.1430  0.4246
+ 3182TIP3    H110994   1.473   0.766   4.268 -0.2839 -0.6701  0.3728
+ 3182TIP3    H210995   1.386   0.845   4.365 -3.0035 -0.4964 -2.1389
+ 3183TIP3   OH210996   1.483   5.779   4.246  0.0429  0.2930  0.1945
+ 3183TIP3    H110997   1.417   5.841   4.278  1.4298  1.1937  1.4085
+ 3183TIP3    H210998   1.489   5.713   4.315  0.1190  0.0018 -0.0938
+ 3184TIP3   OH210999   2.492   3.723   2.016 -0.1027 -0.7552 -0.0515
+ 3184TIP3    H111000   2.556   3.779   1.971 -1.4784  0.5177 -0.4475
+ 3184TIP3    H211001   2.546   3.661   2.066  1.5658  3.0911  3.2539
+ 3185TIP3   OH211002   0.423   0.759   2.443 -0.4080  0.3751 -0.4236
+ 3185TIP3    H111003   0.338   0.802   2.435 -0.4238  0.3462 -0.4097
+ 3185TIP3    H211004   0.486   0.830   2.432 -0.4381  0.4802  0.0344
+ 3186TIP3   OH211005   0.314   0.047   1.608 -0.5596 -0.0938  0.2811
+ 3186TIP3    H111006   0.346   0.065   1.696 -0.1235  0.1531  0.0747
+ 3186TIP3    H211007   0.312  -0.048   1.602  0.9445 -0.1209  0.0152
+ 3187TIP3   OH211008   2.448   0.424   2.366 -0.6159 -0.3723 -0.7444
+ 3187TIP3    H111009   2.415   0.361   2.302 -2.4947 -0.2770  0.0709
+ 3187TIP3    H211010   2.374   0.484   2.379 -0.1894 -0.2538  1.3057
+ 3188TIP3   OH211011   3.007   6.196   3.515  0.0212 -0.4536  0.0674
+ 3188TIP3    H111012   3.049   6.203   3.600  0.1803 -2.1562  0.1526
+ 3188TIP3    H211013   3.003   6.286   3.482 -0.0860  0.2248  1.8763
+ 3189TIP3   OH211014   5.731   0.587   2.223 -0.3967 -0.0143  0.2807
+ 3189TIP3    H111015   5.654   0.549   2.182 -0.8955 -0.8556  1.9832
+ 3189TIP3    H211016   5.709   0.680   2.233 -0.3435  0.1599 -1.1692
+ 3190TIP3   OH211017   3.449   1.252   2.142 -0.6449  0.3960 -0.0997
+ 3190TIP3    H111018   3.534   1.269   2.102 -1.3483  0.1852 -1.7588
+ 3190TIP3    H211019   3.389   1.313   2.099 -1.6861 -0.7761 -0.3732
+ 3191TIP3   OH211020   0.933   0.115   3.512  0.4809  0.3695 -0.2387
+ 3191TIP3    H111021   0.998   0.056   3.475 -0.3918 -0.0440 -1.1086
+ 3191TIP3    H211022   0.951   0.200   3.471  2.2183  0.9353  1.5686
+ 3192TIP3   OH211023   5.438   2.426   1.984 -0.4483 -0.4082 -0.5836
+ 3192TIP3    H111024   5.479   2.423   1.898  1.1171 -0.7225  0.1578
+ 3192TIP3    H211025   5.507   2.456   2.042 -1.1952 -1.2160  0.7427
+ 3193TIP3   OH211026   6.576   1.426   2.700  0.0465  0.9039  0.5076
+ 3193TIP3    H111027   6.483   1.433   2.676  0.3726  1.9084 -0.5566
+ 3193TIP3    H211028   6.578   1.362   2.770 -1.0729 -1.7165 -1.7748
+ 3194TIP3   OH211029   0.268   0.969   1.968  0.4605  0.1684  0.1952
+ 3194TIP3    H111030   0.281   1.045   2.025  0.8645  0.7119 -0.6150
+ 3194TIP3    H211031   0.353   0.955   1.927 -0.1295  0.5344 -1.1876
+ 3195TIP3   OH211032   1.843   1.621   4.017  0.2046 -0.1522 -0.6161
+ 3195TIP3    H111033   1.933   1.625   4.048 -0.2881 -1.5379  1.1081
+ 3195TIP3    H211034   1.793   1.591   4.093 -1.3172 -2.0557 -2.3157
+ 3196TIP3   OH211035   1.287   1.258   1.004  0.3138  0.3014  0.5023
+ 3196TIP3    H111036   1.330   1.202   0.940  1.1424  2.0475 -0.4909
+ 3196TIP3    H211037   1.267   1.200   1.078 -0.7802 -1.7667 -1.3660
+ 3197TIP3   OH211038   1.293   0.422   1.977  0.5842  0.1268  0.5272
+ 3197TIP3    H111039   1.201   0.428   2.003 -0.4258 -0.7220 -2.5770
+ 3197TIP3    H211040   1.306   0.329   1.957  1.9872  0.3292  0.4643
+ 3198TIP3   OH211041   6.476   2.234   2.496 -0.7530 -0.6081 -0.1533
+ 3198TIP3    H111042   6.446   2.273   2.414  0.1839 -0.4105 -0.4058
+ 3198TIP3    H211043   6.397   2.200   2.536 -1.2319 -0.6384 -1.1063
+ 3199TIP3   OH211044   0.660   3.971   3.388 -0.4473 -0.8169 -0.2727
+ 3199TIP3    H111045   0.741   3.926   3.413  0.6029  1.6047  0.8091
+ 3199TIP3    H211046   0.633   4.016   3.467 -1.1911  0.8840 -1.4728
+ 3200TIP3   OH211047   0.852   2.065   2.998 -0.5488  0.0654  0.2447
+ 3200TIP3    H111048   0.924   2.083   3.057 -0.6579  1.2377  0.0302
+ 3200TIP3    H211049   0.893   2.051   2.913 -0.5621  0.6760  0.1341
+ 3201TIP3   OH211050   6.479   1.960   1.788  0.7347  0.3858 -0.2071
+ 3201TIP3    H111051   6.403   1.930   1.737  0.7019  2.0373 -1.1451
+ 3201TIP3    H211052   6.516   2.032   1.737  1.9021  0.7481  1.1148
+ 3202TIP3   OH211053   0.751   2.735   2.952 -0.1388 -0.2735 -0.1518
+ 3202TIP3    H111054   0.667   2.715   2.910 -0.3949  1.2846 -0.4132
+ 3202TIP3    H211055   0.809   2.664   2.925 -1.4122 -1.4750  0.1819
+ 3203TIP3   OH211056   6.510   5.181   3.403  0.2181  0.3056  0.8538
+ 3203TIP3    H111057   6.533   5.191   3.310  2.3933  2.1368  1.5368
+ 3203TIP3    H211058   6.455   5.256   3.422 -3.2461 -1.9709  0.2218
+ 3204TIP3   OH211059  -0.004   1.533   2.863 -0.8357 -0.0911  0.1981
+ 3204TIP3    H111060  -0.043   1.593   2.798 -1.6158 -0.7071  0.0933
+ 3204TIP3    H211061   0.076   1.502   2.821 -0.7389  0.4078  0.0044
+ 3205TIP3   OH211062   5.950   0.632   6.043 -0.4399 -1.0054  0.3299
+ 3205TIP3    H111063   5.868   0.584   6.029 -1.6123  0.9214  0.5382
+ 3205TIP3    H211064   5.984   0.597   6.125 -0.3195 -2.8100 -0.4602
+ 3206TIP3   OH211065   2.341   2.022   2.543 -0.0081  0.2237 -1.6743
+ 3206TIP3    H111066   2.307   1.932   2.550  1.1620 -0.3445 -3.1921
+ 3206TIP3    H211067   2.366   2.044   2.633  0.4278 -1.2651 -1.4137
+ 3207TIP3   OH211068   0.206   1.427   0.582  0.5070  0.1814 -0.1428
+ 3207TIP3    H111069   0.274   1.413   0.516  0.3872  0.4649 -0.3254
+ 3207TIP3    H211070   0.141   1.359   0.563  0.8859 -0.2890  0.2273
+ 3208TIP3   OH211071   1.781   1.178   2.210 -0.3874 -0.0561  0.2634
+ 3208TIP3    H111072   1.765   1.084   2.200  1.2349 -0.3258 -0.0060
+ 3208TIP3    H211073   1.696   1.215   2.232 -1.1395 -1.5267 -0.1083
+ 3209TIP3   OH211074   0.606   1.325   4.075 -0.0517 -0.6522  0.1274
+ 3209TIP3    H111075   0.693   1.349   4.043 -0.3345  2.4338  1.4827
+ 3209TIP3    H211076   0.618   1.237   4.111  2.8990  0.2648  1.5838
+ 3210TIP3   OH211077   5.795   0.349   2.654 -0.2089  0.4360 -0.4080
+ 3210TIP3    H111078   5.854   0.287   2.696 -0.7362 -0.7612 -1.3926
+ 3210TIP3    H211079   5.709   0.329   2.691 -0.5878 -0.2653 -1.6096
+ 3211TIP3   OH211080   0.165   0.735   1.529  0.2780  0.4910  0.1263
+ 3211TIP3    H111081   0.253   0.751   1.563  1.3441 -2.4411 -1.0376
+ 3211TIP3    H211082   0.174   0.743   1.434 -0.6384 -0.1022 -0.0238
+ 3212TIP3   OH211083   3.083   5.741   2.695 -0.2871  0.3268  0.1891
+ 3212TIP3    H111084   3.014   5.681   2.668 -0.4068  0.8003 -0.5736
+ 3212TIP3    H211085   3.082   5.738   2.790 -2.3792  1.4954  0.2295
+ 3213TIP3   OH211086   0.354   0.790   3.463  0.3726  0.0072  0.5586
+ 3213TIP3    H111087   0.296   0.751   3.397  1.8859  2.4569 -2.3810
+ 3213TIP3    H211088   0.426   0.728   3.472 -0.3474 -0.8215  0.6754
+ 3214TIP3   OH211089   6.073   6.169   2.137 -0.3688  0.3351  0.0709
+ 3214TIP3    H111090   6.094   6.211   2.054 -1.1048  1.4595  0.4371
+ 3214TIP3    H211091   5.978   6.167   2.139 -0.3445 -0.7902  0.3504
+ 3215TIP3   OH211092   0.674   0.577   5.063  0.4466  0.1257  0.4432
+ 3215TIP3    H111093   0.711   0.528   5.137 -0.8076 -0.2837  0.8178
+ 3215TIP3    H211094   0.693   0.522   4.987  1.0264  0.1506  0.5673
+ 3216TIP3   OH211095   1.511   3.872   1.891 -0.3536  0.2861  0.4375
+ 3216TIP3    H111096   1.574   3.827   1.947 -2.5322 -0.6592  2.1562
+ 3216TIP3    H211097   1.428   3.867   1.938 -1.6168  2.0545 -1.5076
+ 3217TIP3   OH211098   2.994   0.269   1.615  0.0832 -0.7339 -0.5400
+ 3217TIP3    H111099   2.935   0.308   1.679 -0.6624 -0.6593 -1.2602
+ 3217TIP3    H211100   3.026   0.343   1.563 -0.6848 -0.9784 -1.3740
+ 3218TIP3   OH211101   5.485   0.218   1.342 -0.1838  0.0874 -0.8121
+ 3218TIP3    H111102   5.549   0.278   1.380 -0.3534 -0.3726  0.2114
+ 3218TIP3    H211103   5.418   0.207   1.409 -1.6803  1.0523 -2.1231
+ 3219TIP3   OH211104   5.786   5.846   5.571  0.4463  0.0224 -0.6980
+ 3219TIP3    H111105   5.703   5.883   5.541 -0.1007 -0.4770  0.1584
+ 3219TIP3    H211106   5.768   5.752   5.578  1.1912 -0.1306 -0.8280
+ 3220TIP3   OH211107   6.497   1.640   2.920 -0.2274 -0.2283 -0.0044
+ 3220TIP3    H111108   6.588   1.672   2.921 -0.0629 -0.7202  0.9608
+ 3220TIP3    H211109   6.480   1.623   2.828 -0.1756  2.2204 -0.5220
+ 3221TIP3   OH211110   0.215   2.693   3.032 -0.2730  0.3784  0.2989
+ 3221TIP3    H111111   0.284   2.748   2.995 -0.6646  0.0666 -0.9277
+ 3221TIP3    H211112   0.189   2.635   2.960  2.3979 -3.6853  2.4182
+ 3222TIP3   OH211113   1.352   1.086   2.518  0.1136 -0.5044 -0.1418
+ 3222TIP3    H111114   1.401   1.013   2.480 -0.3227 -0.6356 -0.4579
+ 3222TIP3    H211115   1.261   1.058   2.516 -0.3058  0.8872 -2.2544
+ 3223TIP3   OH211116   1.465   0.231   3.510  0.0265  0.5272  0.1737
+ 3223TIP3    H111117   1.447   0.314   3.466  0.2675  0.8482  0.6669
+ 3223TIP3    H211118   1.543   0.197   3.467 -1.4843 -0.6602 -1.6878
+ 3224TIP3   OH211119   2.501  -0.008   2.701  0.4417 -0.4855 -0.3707
+ 3224TIP3    H111120   2.464   0.080   2.696  1.3651  0.0899  2.3284
+ 3224TIP3    H211121   2.477  -0.049   2.617 -1.9591  1.5411 -0.7281
+ 3225TIP3   OH211122   4.221   1.690   2.464 -0.0783  0.1287  0.0803
+ 3225TIP3    H111123   4.214   1.754   2.534 -0.2504  0.1751  0.0206
+ 3225TIP3    H211124   4.312   1.696   2.435 -0.2920  0.8849 -0.4375
+ 3226TIP3   OH211125   1.623   1.840   1.680  0.1694  0.5812 -0.1387
+ 3226TIP3    H111126   1.704   1.888   1.662 -0.4814  1.3093 -1.2117
+ 3226TIP3    H211127   1.553   1.902   1.659 -0.6778  0.0584  1.0426
+ 3227TIP3   OH211128   2.147   1.202   2.693  0.1574  0.7896 -0.1126
+ 3227TIP3    H111129   2.075   1.217   2.755  0.8026 -0.8337  1.0434
+ 3227TIP3    H211130   2.163   1.108   2.697  2.5340  1.1757 -0.1778
+ 3228TIP3   OH211131   3.540   0.305   4.693 -0.4850  0.5448  0.0839
+ 3228TIP3    H111132   3.523   0.396   4.670 -1.2842  0.1890 -0.7287
+ 3228TIP3    H211133   3.596   0.272   4.623 -1.3994 -0.0060 -0.3898
+ 3229TIP3   OH211134   2.122   2.421   2.674  0.2984 -0.5115 -0.5792
+ 3229TIP3    H111135   2.154   2.511   2.667 -1.6444  0.1586 -1.3039
+ 3229TIP3    H211136   2.131   2.385   2.586  0.2609 -0.7294 -0.4950
+ 3230TIP3   OH211137   0.635   0.237   4.003 -0.5818 -0.0304 -0.0699
+ 3230TIP3    H111138   0.647   0.256   3.910 -1.9871  1.4402  0.0323
+ 3230TIP3    H211139   0.696   0.296   4.047 -1.1715  0.5001  0.0267
+ 3231TIP3   OH211140   2.382   0.247   0.855  0.0043  0.4089  0.3233
+ 3231TIP3    H111141   2.294   0.282   0.837 -0.4087 -0.5003  0.5286
+ 3231TIP3    H211142   2.427   0.252   0.771 -0.1331  1.1683  0.2838
+ 3232TIP3   OH211143   1.542   0.908   2.837 -0.2561 -0.3447 -0.4166
+ 3232TIP3    H111144   1.447   0.904   2.822  0.0116 -0.1561 -2.2219
+ 3232TIP3    H211145   1.565   0.999   2.819  0.3715 -0.5546 -0.6747
+ 3233TIP3   OH211146   0.155   0.255   2.298 -0.2766 -0.0849 -0.0167
+ 3233TIP3    H111147   0.248   0.234   2.287 -0.4979 -1.8693  1.2068
+ 3233TIP3    H211148   0.147   0.279   2.390 -1.0134  0.1384 -0.1362
+ 3234TIP3   OH211149   5.877   6.753   0.297  0.4472 -0.3325  0.6651
+ 3234TIP3    H111150   5.885   6.679   0.357  1.5913 -0.7286  0.0388
+ 3234TIP3    H211151   5.884   6.714   0.210  1.9195  0.6053  0.3411
+ 3235TIP3   OH211152   1.943   0.287   2.231 -0.3156  0.1499  0.1084
+ 3235TIP3    H111153   1.959   0.339   2.309 -0.7977  0.4765 -0.0070
+ 3235TIP3    H211154   1.998   0.326   2.164 -0.1802  0.0990  0.1896
+ 3236TIP3   OH211155   1.483   1.118   3.674 -0.1847  0.4354 -0.3075
+ 3236TIP3    H111156   1.463   1.211   3.667 -2.7029  0.0553  1.2206
+ 3236TIP3    H211157   1.469   1.097   3.766  1.4046 -1.2486 -0.4183
+ 3237TIP3   OH211158   5.457   2.246   2.444 -0.5666 -0.1255 -0.8384
+ 3237TIP3    H111159   5.465   2.265   2.351 -1.2721  0.0064 -0.8787
+ 3237TIP3    H211160   5.470   2.152   2.451  0.0288 -0.0543 -1.0052
+ 3238TIP3   OH211161   2.703   5.892   2.131  0.1431 -0.3372 -0.1736
+ 3238TIP3    H111162   2.675   5.871   2.220 -2.6748  2.3747 -0.3488
+ 3238TIP3    H211163   2.774   5.955   2.142 -1.5022  1.5094  0.2065
+ 3239TIP3   OH211164   3.162   1.701   3.996 -0.2027 -0.4691 -0.5319
+ 3239TIP3    H111165   3.200   1.777   4.041  0.7782 -1.3536  0.1595
+ 3239TIP3    H211166   3.087   1.677   4.050  0.5262 -1.0626  0.2309
+ 3240TIP3   OH211167   3.436   1.735   2.615  0.3435  0.0751 -0.3741
+ 3240TIP3    H111168   3.471   1.647   2.602 -2.9491 -1.4198  0.4211
+ 3240TIP3    H211169   3.385   1.729   2.695 -1.0100  2.3664 -1.0141
+ 3241TIP3   OH211170   4.580   1.798   1.648 -0.2231  0.4095 -0.7194
+ 3241TIP3    H111171   4.553   1.791   1.740 -0.4305  0.6244 -0.7619
+ 3241TIP3    H211172   4.669   1.832   1.651 -0.3502  0.7367 -0.6060
+ 3242TIP3   OH211173   2.372   0.109   3.741 -0.6021 -0.5559 -0.1315
+ 3242TIP3    H111174   2.312   0.141   3.674  0.4716 -0.2026 -0.9198
+ 3242TIP3    H211175   2.388   0.184   3.797 -1.4191 -0.8252  0.4770
+ 3243TIP3   OH211176   6.457   0.626   1.931 -0.1383  0.5205  0.0247
+ 3243TIP3    H111177   6.450   0.688   1.858 -0.2443  2.8217  1.9357
+ 3243TIP3    H211178   6.542   0.646   1.971  1.4146 -2.9176 -1.3564
+ 3244TIP3   OH211179   0.689   1.597   1.163 -0.2219 -0.2489  0.3613
+ 3244TIP3    H111180   0.659   1.674   1.115  0.1547 -0.6774 -0.5846
+ 3244TIP3    H211181   0.625   1.529   1.141  1.2165 -1.0837 -1.4188
+ 3245TIP3   OH211182   2.205   2.585   2.437  0.2753 -0.1801  0.5009
+ 3245TIP3    H111183   2.255   2.635   2.502 -0.5808 -0.0169  1.0318
+ 3245TIP3    H211184   2.223   2.629   2.354 -0.8796  1.3192  1.0352
+ 3246TIP3   OH211185   5.399   4.673   1.893 -0.3534 -0.0146 -0.0008
+ 3246TIP3    H111186   5.442   4.607   1.947  1.0108  0.7231 -0.1667
+ 3246TIP3    H211187   5.425   4.652   1.804 -0.1145  0.6068 -0.0783
+ 3247TIP3   OH211188   3.069   1.370   1.576 -0.6970 -0.5455  0.3692
+ 3247TIP3    H111189   2.993   1.425   1.563  0.0020  0.5333  0.7504
+ 3247TIP3    H211190   3.125   1.387   1.501 -0.9189 -1.4875 -0.0132
+ 3248TIP3   OH211191   5.557   1.744   2.050  0.3634 -0.3327  0.1184
+ 3248TIP3    H111192   5.593   1.744   2.138  0.7432 -0.7118 -0.0306
+ 3248TIP3    H211193   5.631   1.717   1.994  0.7801  2.1546 -0.5929
+ 3249TIP3   OH211194   2.566   2.088   2.387 -0.6139 -0.0137 -0.3707
+ 3249TIP3    H111195   2.507   2.048   2.451  0.3126  0.0345  0.5303
+ 3249TIP3    H211196   2.563   2.028   2.312 -0.6824 -0.7837  0.2353
+ 3250TIP3   OH211197   2.359   1.146   2.410  0.1295 -0.2125 -0.3360
+ 3250TIP3    H111198   2.364   1.148   2.314  1.2048  1.5830 -0.2612
+ 3250TIP3    H211199   2.292   1.211   2.431 -0.9886 -1.4818  0.0924
+ 3251TIP3   OH211200   2.984   0.202   2.689 -0.2425  0.3688 -0.3495
+ 3251TIP3    H111201   2.971   0.269   2.622  0.5710 -0.8307 -1.7264
+ 3251TIP3    H211202   2.916   0.137   2.672 -0.3912  0.3299  0.3494
+ 3252TIP3   OH211203   3.658   0.642   3.092 -0.0340  0.8824 -0.1468
+ 3252TIP3    H111204   3.684   0.729   3.060 -1.0611  1.0798 -0.4633
+ 3252TIP3    H211205   3.694   0.582   3.027  2.2669  0.9255  1.0435
+ 3253TIP3   OH211206   4.143  -0.011   3.734  0.0997 -0.2567 -0.5534
+ 3253TIP3    H111207   4.194   0.020   3.809 -0.9389  0.2104 -0.0387
+ 3253TIP3    H211208   4.204  -0.005   3.660  1.4609 -1.7070  0.4109
+ 3254TIP3   OH211209   5.405   6.847   1.568 -0.0369  0.3225  0.3268
+ 3254TIP3    H111210   5.406   6.940   1.593  2.1370 -0.3235  2.8965
+ 3254TIP3    H211211   5.442   6.846   1.480 -0.0007  1.8942  0.3090
+ 3255TIP3   OH211212   2.846   2.364   1.069 -0.0253 -0.0945  0.1624
+ 3255TIP3    H111213   2.764   2.316   1.082  0.3847 -0.9020 -0.2015
+ 3255TIP3    H211214   2.901   2.338   1.144  0.6000 -1.0597 -0.6227
+ 3256TIP3   OH211215   1.915   2.120   0.006 -0.1585  0.3390  0.2455
+ 3256TIP3    H111216   1.983   2.090   0.067  1.8131 -0.0566 -2.0612
+ 3256TIP3    H211217   1.935   2.213  -0.008 -1.4765  0.7972  1.2566
+ 3257TIP3   OH211218   2.861   2.470   3.139  0.3280  0.1153 -0.4168
+ 3257TIP3    H111219   2.883   2.559   3.165  1.9819  0.7317 -3.6103
+ 3257TIP3    H211220   2.767   2.470   3.125  0.5655  1.9129 -2.2028
+ 3258TIP3   OH211221   1.704   1.594   1.603  0.7738 -0.4607 -0.8564
+ 3258TIP3    H111222   1.666   1.674   1.640 -0.4583 -1.5634  0.3420
+ 3258TIP3    H211223   1.694   1.603   1.509  0.8297  0.8870 -0.7372
+ 3259TIP3   OH211224   3.773   0.720   2.739  0.1166  0.7144 -0.0529
+ 3259TIP3    H111225   3.748   0.639   2.782 -0.5387  1.1614  0.4163
+ 3259TIP3    H211226   3.764   0.787   2.806  0.1155  1.2572 -0.5865
+ 3260TIP3   OH211227   1.655   0.401   3.973  0.0765 -0.0148  0.1690
+ 3260TIP3    H111228   1.566   0.431   3.955  0.2305 -0.1462 -0.8125
+ 3260TIP3    H211229   1.677   0.443   4.057 -0.4469  1.0360 -0.2018
+ 3261TIP3   OH211230   2.651   2.313   2.013 -0.0831  0.0709 -0.3036
+ 3261TIP3    H111231   2.563   2.276   2.018 -0.5848  1.1618 -0.8790
+ 3261TIP3    H211232   2.638   2.402   1.981  1.2098  0.3378 -0.1246
+ 3262TIP3   OH211233   1.394   6.892   2.534 -0.2752 -0.3889  0.5751
+ 3262TIP3    H111234   1.358   6.819   2.585 -2.2468  0.7381  0.8465
+ 3262TIP3    H211235   1.443   6.850   2.463 -0.7933 -1.9711  1.1405
+ 3263TIP3   OH211236   3.991   2.597   0.421 -0.7438  0.1999 -0.0435
+ 3263TIP3    H111237   4.041   2.532   0.371 -0.8717 -0.5597  0.8007
+ 3263TIP3    H211238   4.047   2.618   0.495 -1.1929  0.1988  0.2944
+ 3264TIP3   OH211239   4.445   0.019   6.832 -0.6524 -0.2924 -0.2628
+ 3264TIP3    H111240   4.380   0.085   6.855 -0.4389  0.1412 -0.8822
+ 3264TIP3    H211241   4.470  -0.021   6.916 -0.9968  0.2128  0.0813
+ 3265TIP3   OH211242   1.732   6.314   3.786  0.5285  0.3428 -0.6866
+ 3265TIP3    H111243   1.716   6.220   3.774  1.2543 -0.2183  2.2812
+ 3265TIP3    H211244   1.807   6.334   3.730  0.9109 -1.0449 -0.6841
+ 3266TIP3   OH211245   1.908   2.637   1.904  0.0822  0.1558 -0.1875
+ 3266TIP3    H111246   1.977   2.687   1.861 -0.6008  1.8060  0.5952
+ 3266TIP3    H211247   1.945   2.613   1.989  0.2556 -0.3163 -0.3942
+ 3267TIP3   OH211248   3.832   0.284   0.384 -0.8649 -0.0195  0.2672
+ 3267TIP3    H111249   3.812   0.203   0.430  1.4986 -0.1337  1.1661
+ 3267TIP3    H211250   3.927   0.281   0.369 -0.8820  2.1336 -0.5342
+ 3268TIP3   OH211251   1.944   0.033   3.360 -0.1549  0.1892  0.0284
+ 3268TIP3    H111252   1.906   0.042   3.447 -1.7998  2.1876 -0.8598
+ 3268TIP3    H211253   1.888   0.085   3.303  0.4321 -1.7021 -2.3870
+ 3269TIP3   OH211254   2.696   1.420   0.735  0.1531  0.5038 -0.3176
+ 3269TIP3    H111255   2.706   1.502   0.784 -0.2348  0.0403  0.5446
+ 3269TIP3    H211256   2.778   1.373   0.750 -0.2450  0.0581  0.4547
+ 3270TIP3   OH211257   2.786   1.028   4.902 -0.0955 -0.4125  0.3266
+ 3270TIP3    H111258   2.758   0.963   4.838 -1.3123  0.3130  0.1125
+ 3270TIP3    H211259   2.705   1.059   4.943  0.3797  1.5478 -0.1478
+ 3271TIP3   OH211260   2.976   3.278   2.142 -0.2182  0.4946 -0.0457
+ 3271TIP3    H111261   2.889   3.271   2.183 -0.4414  0.6312 -0.4887
+ 3271TIP3    H211262   2.957   3.305   2.052  0.1642 -1.5428 -0.7654
+ 3272TIP3   OH211263   5.343   0.876   1.644  0.1943  0.1200  0.3420
+ 3272TIP3    H111264   5.425   0.873   1.594 -0.4520 -1.9488 -0.6343
+ 3272TIP3    H211265   5.345   0.962   1.686  2.6118  0.3334 -0.0919
+ 3273TIP3   OH211266   5.283   0.113   6.478  0.1781  0.3912  0.9336
+ 3273TIP3    H111267   5.221   0.186   6.478  0.7690  0.9473 -2.2009
+ 3273TIP3    H211268   5.367   0.152   6.458  0.6621 -1.0224  0.1365
+ 3274TIP3   OH211269   2.285   3.556   1.255  0.0722  0.3807 -0.0516
+ 3274TIP3    H111270   2.237   3.492   1.202 -0.4150  1.8730 -1.4529
+ 3274TIP3    H211271   2.318   3.505   1.329 -1.9078 -1.1054 -0.1318
+ 3275TIP3   OH211272   4.332   1.953   4.279  0.5591  0.0868  0.1128
+ 3275TIP3    H111273   4.321   1.981   4.370 -0.4786  0.8324 -0.2327
+ 3275TIP3    H211274   4.406   2.005   4.247  0.4562  0.3641  0.3188
+ 3276TIP3   OH211275   2.461   0.884   2.400  0.0072  0.0841 -0.0078
+ 3276TIP3    H111276   2.375   0.851   2.377 -0.4592  2.4977 -1.9219
+ 3276TIP3    H211277   2.445   0.971   2.435  1.6795  0.6608 -0.6109
+ 3277TIP3   OH211278   2.427   3.102   2.037 -0.0119  0.2402 -0.0388
+ 3277TIP3    H111279   2.424   3.161   2.111  0.9611 -0.1253  0.3097
+ 3277TIP3    H211280   2.453   3.017   2.074 -1.0832 -0.3277 -0.5706
+ 3278TIP3   OH211281   2.244   2.366   3.605 -0.5228 -0.3006  0.4841
+ 3278TIP3    H111282   2.191   2.440   3.634  0.4395 -0.7462  3.6519
+ 3278TIP3    H211283   2.195   2.289   3.633  0.3684 -0.7725  0.7902
+ 3279TIP3   OH211284   2.909   6.078   2.090 -0.1157  0.3177 -0.2541
+ 3279TIP3    H111285   2.999   6.047   2.084 -0.7144 -1.6125  0.3123
+ 3279TIP3    H211286   2.908   6.136   2.167  0.1527 -1.4645  1.1203
+ 3280TIP3   OH211287   4.463   0.291   4.015 -0.2369  0.3907 -0.0584
+ 3280TIP3    H111288   4.508   0.356   3.962 -0.8764  0.6856 -0.2367
+ 3280TIP3    H211289   4.533   0.234   4.047  0.1677  0.3039 -1.0809
+ 3281TIP3   OH211290   5.931   0.097   3.660 -0.0984 -0.4554 -0.1223
+ 3281TIP3    H111291   5.935   0.190   3.681  2.0210 -0.6149  0.2485
+ 3281TIP3    H211292   5.883   0.058   3.733  2.4400 -0.2114  1.7161
+ 3282TIP3   OH211293   4.847   0.782   2.052 -0.0803 -0.3102 -0.1711
+ 3282TIP3    H111294   4.857   0.718   1.982  1.1480 -0.3368  0.0152
+ 3282TIP3    H211295   4.905   0.751   2.122 -0.9046 -0.0099  0.6603
+ 3283TIP3   OH211296   2.310   0.985   1.980 -0.1576 -0.1661 -0.0229
+ 3283TIP3    H111297   2.268   0.955   1.899 -0.5076 -2.9776  1.1755
+ 3283TIP3    H211298   2.368   0.914   2.006  1.5611  1.5944  1.0819
+ 3284TIP3   OH211299   1.206   1.902   2.311 -0.0391 -0.3406  0.1135
+ 3284TIP3    H111300   1.282   1.865   2.355 -0.8665 -0.6094  1.3307
+ 3284TIP3    H211301   1.135   1.842   2.330 -1.4892  1.9936  2.3795
+ 3285TIP3   OH211302   5.373   0.632   1.284 -0.1818 -0.8507 -0.0535
+ 3285TIP3    H111303   5.403   0.723   1.275 -1.2894 -0.5037 -0.3055
+ 3285TIP3    H211304   5.362   0.621   1.379  0.7662 -0.9943  0.0457
+ 3286TIP3   OH211305   2.905   4.999   5.227  0.3754  0.4111  0.4553
+ 3286TIP3    H111306   2.831   5.057   5.209 -1.1347 -1.0302  1.8192
+ 3286TIP3    H211307   2.980   5.041   5.185 -1.5346  1.0553 -2.4471
+ 3287TIP3   OH211308   3.386   1.514   1.978  0.3413  0.5589 -0.2241
+ 3287TIP3    H111309   3.329   1.479   1.909  2.2165 -0.7974 -1.1240
+ 3287TIP3    H211310   3.326   1.539   2.048 -1.3425 -1.0840 -1.0395
+ 3288TIP3   OH211311   2.349   5.967   4.035 -0.2295 -0.2106  0.1767
+ 3288TIP3    H111312   2.443   5.950   4.032  0.5665  3.8468 -2.3854
+ 3288TIP3    H211313   2.337   6.025   4.110 -0.1048  1.7964 -1.2940
+ 3289TIP3   OH211314   5.049   0.745   1.797 -0.4889 -0.7527  0.0242
+ 3289TIP3    H111315   5.051   0.830   1.840 -1.9414 -0.2280 -0.8929
+ 3289TIP3    H211316   5.055   0.766   1.703 -0.0796 -1.6928 -0.1580
+ 3290TIP3   OH211317   3.137   1.644   1.753 -0.2969 -0.0716 -0.5055
+ 3290TIP3    H111318   3.168   1.563   1.794 -1.4771 -0.0710  0.4184
+ 3290TIP3    H211319   3.148   1.630   1.659 -1.6652 -1.8032 -0.4261
+ 3291TIP3   OH211320   2.720   1.424   1.307 -0.5341 -0.1456  0.2255
+ 3291TIP3    H111321   2.714   1.329   1.297 -0.3611 -0.3322  1.6906
+ 3291TIP3    H211322   2.629   1.454   1.309 -0.6617 -0.5724  2.0596
+ 3292TIP3   OH211323   2.949   5.179   3.634 -0.2348 -0.2427 -0.4290
+ 3292TIP3    H111324   2.951   5.274   3.645 -0.9082 -0.1390 -1.1190
+ 3292TIP3    H211325   2.942   5.145   3.723  1.2326  0.3039 -0.0911
+ 3293TIP3   OH211326   3.329   5.368   3.061 -0.3745 -0.2031  0.5010
+ 3293TIP3    H111327   3.274   5.422   3.004  0.5842 -0.3552 -0.5847
+ 3293TIP3    H211328   3.390   5.430   3.100  0.3608 -0.4064 -0.3105
+ 3294TIP3   OH211329   4.121   5.867   2.721 -0.4017  0.2449  0.2351
+ 3294TIP3    H111330   4.130   5.774   2.740  0.1929  0.1943 -0.2957
+ 3294TIP3    H211331   4.065   5.900   2.791  1.6050  0.0387  1.9898
+ 3295TIP3   OH211332   3.587   6.213   3.471 -0.6791  0.0998 -0.0418
+ 3295TIP3    H111333   3.515   6.152   3.459 -1.9370  0.9000  2.9061
+ 3295TIP3    H211334   3.654   6.163   3.518  0.4887 -0.4704 -2.2466
+ 3296TIP3   OH211335   3.247   6.445   1.723  0.3274  0.3374 -0.4466
+ 3296TIP3    H111336   3.204   6.488   1.649 -1.6606 -0.9593 -0.0951
+ 3296TIP3    H211337   3.192   6.466   1.798  0.7978 -0.6244  0.1768
+ 3297TIP3   OH211338   3.222   1.113   0.939  0.6288  0.7403  0.5493
+ 3297TIP3    H111339   3.267   1.045   0.988  2.2739  0.7860 -0.8654
+ 3297TIP3    H211340   3.257   1.106   0.850 -1.5245  1.3407 -0.3830
+ 3298TIP3   OH211341   0.229   6.442   2.684  0.0255 -0.1403 -0.3703
+ 3298TIP3    H111342   0.228   6.507   2.755 -0.6822  1.7963 -2.1138
+ 3298TIP3    H211343   0.137   6.428   2.664  0.2226 -0.7876 -0.8088
+ 3299TIP3   OH211344   2.197   6.776   1.811 -0.0510  0.5564  0.5346
+ 3299TIP3    H111345   2.159   6.846   1.759 -2.2864  0.7352  2.3030
+ 3299TIP3    H211346   2.246   6.821   1.880 -0.4048  0.3763  0.9065
+ 3300TIP3   OH211347   3.417   1.078   2.587  0.5087 -0.2990 -0.7396
+ 3300TIP3    H111348   3.460   1.033   2.659  0.2720  1.3855  0.4924
+ 3300TIP3    H211349   3.489   1.104   2.529  0.8832 -0.0694 -0.1823
+ 3301TIP3   OH211350   3.066   6.566   1.539  0.0714  0.3545  0.2215
+ 3301TIP3    H111351   2.977   6.534   1.554  0.8369 -1.4900  1.0243
+ 3301TIP3    H211352   3.056   6.635   1.474 -1.5137 -2.4472 -2.6199
+ 3302TIP3   OH211353   1.136   0.282   0.571 -0.7743 -0.0320  0.6683
+ 3302TIP3    H111354   1.046   0.251   0.580  0.0913 -2.2115  2.1994
+ 3302TIP3    H211355   1.169   0.288   0.660  0.8174  0.0939  0.0947
+ 3303TIP3   OH211356   3.854   6.559   3.291 -0.2323  0.0339  0.5980
+ 3303TIP3    H111357   3.836   6.465   3.280  0.1196  0.0652 -0.3009
+ 3303TIP3    H211358   3.893   6.585   3.207  0.7357  0.7347  1.2593
+ 3304TIP3   OH211359   4.586   4.861   3.777  0.4364 -0.1380 -0.2175
+ 3304TIP3    H111360   4.527   4.867   3.852 -0.4136 -2.3359 -0.6859
+ 3304TIP3    H211361   4.559   4.932   3.719  0.3347  0.8389  0.9918
+ 3305TIP3   OH211362   3.253   1.389   1.771 -0.2089  0.3613 -0.3764
+ 3305TIP3    H111363   3.214   1.374   1.685  0.0464  1.9259 -0.7767
+ 3305TIP3    H211364   3.326   1.326   1.775  1.0515  1.6685 -2.1476
+ 3306TIP3   OH211365   3.913   6.591   2.695  0.3173 -0.8648  0.0614
+ 3306TIP3    H111366   3.980   6.620   2.757  1.1082  0.4097 -1.3613
+ 3306TIP3    H211367   3.945   6.506   2.663 -0.1180 -1.5513  1.4007
+ 3307TIP3   OH211368   3.318   5.648   3.273  1.0010 -0.3722 -0.7904
+ 3307TIP3    H111369   3.299   5.718   3.211 -0.8262 -0.4556 -0.3465
+ 3307TIP3    H211370   3.394   5.603   3.236  0.9677  0.6145 -2.0884
+ 3308TIP3   OH211371   1.423   6.722   1.858 -0.0262 -0.2176 -0.0745
+ 3308TIP3    H111372   1.416   6.689   1.769  0.3983 -0.3611 -0.0569
+ 3308TIP3    H211373   1.351   6.681   1.906 -1.1071  0.9470 -0.6831
+ 3309TIP3   OH211374   4.009   0.965   2.765  0.6617 -0.0527  0.1441
+ 3309TIP3    H111375   4.065   1.043   2.772  0.2616  0.0896  2.0798
+ 3309TIP3    H211376   3.943   0.977   2.833 -0.7097 -1.0498 -1.0033
+ 3310TIP3   OH211377   0.634   1.508   4.743  0.3659 -0.2275 -0.4243
+ 3310TIP3    H111378   0.593   1.422   4.732  0.8248 -0.7033  1.4206
+ 3310TIP3    H211379   0.588   1.565   4.681 -1.7626 -1.1744  0.2539
+ 3311TIP3   OH211380   1.699   0.895   3.863 -0.1054 -0.3670  0.1186
+ 3311TIP3    H111381   1.681   0.987   3.882 -1.6045 -0.7583  0.6807
+ 3311TIP3    H211382   1.621   0.848   3.893  0.4349 -1.7764 -0.5952
+ 3312TIP3   OH211383   6.484   0.795   1.721 -0.4030 -0.0474 -0.1057
+ 3312TIP3    H111384   6.543   0.748   1.663 -1.2956 -1.8300  0.4011
+ 3312TIP3    H211385   6.414   0.826   1.664 -0.0396  0.2902 -0.3694
+ 3313TIP3   OH211386   3.446   1.120   1.287  0.0198  0.4224  0.1687
+ 3313TIP3    H111387   3.445   1.083   1.198 -1.2060 -0.8558  0.7047
+ 3313TIP3    H211388   3.539   1.136   1.305  0.2501  1.1456 -1.5155
+ 3314TIP3   OH211389   2.615   2.681   0.956  0.2331 -0.0582  0.1338
+ 3314TIP3    H111390   2.559   2.648   0.886  1.1456  0.2307 -0.7506
+ 3314TIP3    H211391   2.565   2.666   1.036 -0.6026 -0.8835 -0.5259
+ 3315TIP3   OH211392   2.367   1.178   1.465  0.1156 -0.2602  0.1566
+ 3315TIP3    H111393   2.349   1.224   1.547  2.5389  1.9531 -0.4912
+ 3315TIP3    H211394   2.315   1.225   1.400  0.7611  0.0857 -0.1122
+ 3316TIP3   OH211395   2.102   1.878   4.123 -0.0036 -0.1617 -0.2071
+ 3316TIP3    H111396   2.043   1.899   4.051  0.7686  2.1910 -0.1769
+ 3316TIP3    H211397   2.150   1.801   4.092 -1.5721 -0.8061 -1.0868
+ 3317TIP3   OH211398   1.850   6.368   2.688  0.2260  0.5917 -0.0754
+ 3317TIP3    H111399   1.934   6.359   2.643  0.3195 -0.8760  0.3830
+ 3317TIP3    H211400   1.786   6.331   2.627  0.1844 -0.2113  0.4584
+ 3318TIP3   OH211401   3.093   2.109   5.054  0.0972 -0.5819  0.2821
+ 3318TIP3    H111402   3.087   2.027   5.102 -0.7382 -0.2948  0.6846
+ 3318TIP3    H211403   3.141   2.168   5.113 -2.0072  0.1503  1.3320
+ 3319TIP3   OH211404   1.949   1.717   3.520  0.4055 -0.0164 -0.1579
+ 3319TIP3    H111405   1.933   1.705   3.613 -0.4290 -0.6331 -0.3784
+ 3319TIP3    H211406   2.030   1.767   3.516  0.6312 -0.2887  0.8945
+ 3320TIP3   OH211407   1.669   1.865   2.318 -0.5356 -0.5104  0.0907
+ 3320TIP3    H111408   1.654   1.773   2.300  3.7016 -1.0254 -1.4931
+ 3320TIP3    H211409   1.686   1.903   2.231 -0.6962  1.4271  0.8880
+ 3321TIP3   OH211410   3.231   1.654   2.797 -0.3296 -0.5580  0.5451
+ 3321TIP3    H111411   3.177   1.726   2.765  0.8225 -0.0281 -0.2181
+ 3321TIP3    H211412   3.183   1.575   2.770 -0.5119 -0.1008 -0.5161
+ 3322TIP3   OH211413   2.456   1.648   6.146 -0.3626  0.1931 -0.0479
+ 3322TIP3    H111414   2.543   1.688   6.139 -0.8352  1.5613  1.4596
+ 3322TIP3    H211415   2.457   1.603   6.230 -1.1956  0.4732  0.1177
+ 3323TIP3   OH211416   0.851   1.851   2.296 -0.0735  0.9631  0.2007
+ 3323TIP3    H111417   0.852   1.880   2.205 -1.0252  0.5462  0.0509
+ 3323TIP3    H211418   0.828   1.758   2.291  0.9871  0.6581  0.7975
+ 3324TIP3   OH211419   6.157   0.957   2.592  0.2877 -0.8732 -0.0648
+ 3324TIP3    H111420   6.212   0.892   2.548  1.9419 -1.5512  2.8510
+ 3324TIP3    H211421   6.214   1.032   2.607 -0.0315 -0.9282  1.5224
+ 3325TIP3   OH211422   1.441   0.429   3.316 -0.3068 -0.3901  0.5776
+ 3325TIP3    H111423   1.401   0.515   3.327 -0.6114 -0.4424 -0.1025
+ 3325TIP3    H211424   1.527   0.447   3.278  1.0973 -0.1488  3.7003
+ 3326TIP3   OH211425   4.207   1.432   2.924  0.3471 -0.0327 -0.2167
+ 3326TIP3    H111426   4.244   1.467   3.005  0.6357  0.1973 -0.4455
+ 3326TIP3    H211427   4.215   1.337   2.933 -0.0455 -0.0267  0.2229
+ 3327TIP3   OH211428   0.195   2.411   3.086  0.0881  0.3427  0.1860
+ 3327TIP3    H111429   0.175   2.504   3.075  0.5269  0.4250  0.0965
+ 3327TIP3    H211430   0.285   2.402   3.057  0.6718  0.2213  1.9527
+ 3328TIP3   OH211431   2.398   2.228   1.137 -0.5055 -0.0620 -0.0272
+ 3328TIP3    H111432   2.443   2.215   1.053  0.2819  0.6280  0.2808
+ 3328TIP3    H211433   2.469   2.241   1.200 -1.1558  1.5477  0.3862
+ 3329TIP3   OH211434   4.410   2.645   1.755 -0.0643  0.1547 -0.4294
+ 3329TIP3    H111435   4.378   2.604   1.674  1.9329 -0.5354 -0.9083
+ 3329TIP3    H211436   4.487   2.594   1.778 -0.5346  0.4542  1.8538
+ 3330TIP3   OH211437   1.502   2.191   2.379  0.0144 -0.2405 -0.3390
+ 3330TIP3    H111438   1.472   2.113   2.426 -2.0150 -0.6863 -2.2797
+ 3330TIP3    H211439   1.543   2.157   2.300  0.9777  0.6053 -0.2091
+ 3331TIP3   OH211440   2.140   4.792   3.415 -0.5074  0.2156 -0.2694
+ 3331TIP3    H111441   2.182   4.876   3.435 -0.7914  0.6415 -1.4053
+ 3331TIP3    H211442   2.078   4.779   3.486  0.7007  0.1573  0.8041
+ 3332TIP3   OH211443   3.694   0.082   2.833  0.1304  0.8588 -0.2164
+ 3332TIP3    H111444   3.677  -0.013   2.828  1.6202  0.4046  2.5269
+ 3332TIP3    H211445   3.786   0.091   2.811  0.0351  1.6605 -0.2871
+ 3333TIP3   OH211446   3.577   2.062   2.447 -0.0650 -0.2728  0.1020
+ 3333TIP3    H111447   3.654   2.029   2.402 -0.3855 -1.2751  0.2807
+ 3333TIP3    H211448   3.569   2.153   2.417 -0.8565 -1.2194 -2.6573
+ 3334TIP3   OH211449   2.597   0.502   0.968  0.0269  0.5582  0.7370
+ 3334TIP3    H111450   2.542   0.429   0.939 -0.2238  0.1514  2.1895
+ 3334TIP3    H211451   2.666   0.507   0.903 -1.3941  0.7009 -0.8068
+ 3335TIP3   OH211452   2.963   6.342   3.934 -0.3081 -0.0818 -0.1830
+ 3335TIP3    H111453   2.924   6.375   4.015  0.8177  0.3103  0.2100
+ 3335TIP3    H211454   3.053   6.318   3.958 -0.1539 -0.5343 -1.1751
+ 3336TIP3   OH211455   0.736   5.268   3.655 -0.1272  0.3707 -0.5567
+ 3336TIP3    H111456   0.763   5.232   3.740  1.1753 -1.1288 -1.5607
+ 3336TIP3    H211457   0.787   5.349   3.646  0.4073  0.0713 -0.2852
+ 3337TIP3   OH211458   2.683   2.527   1.274 -0.4678  0.0108 -0.8965
+ 3337TIP3    H111459   2.746   2.585   1.230 -0.8798  0.9810 -0.2156
+ 3337TIP3    H211460   2.599   2.549   1.234 -0.9513  1.3667  0.8094
+ 3338TIP3   OH211461   3.227   0.746   3.110 -0.1269 -0.3487 -0.1313
+ 3338TIP3    H111462   3.200   0.836   3.094  1.6998  0.3332  0.4096
+ 3338TIP3    H211463   3.196   0.727   3.198  1.8617  0.7559  0.8605
+ 3339TIP3   OH211464   2.577   6.418   4.497 -0.2626 -0.4287 -0.7000
+ 3339TIP3    H111465   2.576   6.322   4.498  1.7136 -0.4631 -0.7055
+ 3339TIP3    H211466   2.492   6.443   4.533 -0.1916 -2.1805  0.7396
+ 3340TIP3   OH211467   2.800   1.059   1.547 -0.9812  0.2907 -0.8014
+ 3340TIP3    H111468   2.857   1.006   1.491 -0.0527 -0.9866  1.2511
+ 3340TIP3    H211469   2.778   1.000   1.620 -3.0443  1.5375 -0.3908
+ 3341TIP3   OH211470   3.816   2.896   1.278 -0.4411 -0.4055 -0.0620
+ 3341TIP3    H111471   3.774   2.963   1.331 -0.2473  1.6754 -2.4380
+ 3341TIP3    H211472   3.900   2.881   1.320 -0.7697  0.3600  0.8709
+ 3342TIP3   OH211473   3.695   6.447   1.802 -0.5557 -0.0830 -0.0434
+ 3342TIP3    H111474   3.612   6.412   1.834 -0.4341  0.4176  0.8480
+ 3342TIP3    H211475   3.689   6.541   1.819  0.2437 -0.0642  0.1553
+ 3343TIP3   OH211476   5.133   1.434   4.067 -0.3413  0.0326  0.0629
+ 3343TIP3    H111477   5.153   1.350   4.107 -0.2981 -0.5389 -1.1550
+ 3343TIP3    H211478   5.044   1.424   4.033  0.3487 -0.1371 -1.7048
+ 3344TIP3   OH211479   3.471   4.819   2.043 -0.0126 -0.2074 -0.1821
+ 3344TIP3    H111480   3.380   4.821   2.074  0.2465  0.3517  0.5651
+ 3344TIP3    H211481   3.524   4.831   2.122  0.7383 -1.1044 -0.5329
+ 3345TIP3   OH211482   1.383   2.576   0.289 -0.0634  0.0039  1.1026
+ 3345TIP3    H111483   1.443   2.585   0.363  0.4101  1.8597  0.5155
+ 3345TIP3    H211484   1.381   2.663   0.249 -2.1073 -0.3818  0.3100
+ 3346TIP3   OH211485   2.331   2.822   2.859 -0.4362 -0.4337  0.2387
+ 3346TIP3    H111486   2.278   2.837   2.937  0.1877  0.1943  0.5522
+ 3346TIP3    H211487   2.411   2.873   2.875 -0.0947 -0.7100 -0.5863
+ 3347TIP3   OH211488   3.112   0.017   5.644 -0.0340 -0.2081  0.0971
+ 3347TIP3    H111489   3.070   0.103   5.641 -0.3593 -0.3819 -0.4415
+ 3347TIP3    H211490   3.181   0.022   5.578 -1.6770 -1.1894 -1.7623
+ 3348TIP3   OH211491   2.362   6.276   0.778  0.0385 -0.4116  0.0161
+ 3348TIP3    H111492   2.402   6.306   0.696 -1.7166  0.7649 -0.4461
+ 3348TIP3    H211493   2.358   6.181   0.769  0.7505 -0.3710 -0.8484
+ 3349TIP3   OH211494   2.487   0.238   3.476  0.0243  0.4681  0.2304
+ 3349TIP3    H111495   2.506   0.267   3.565  1.8752 -2.0357  0.7019
+ 3349TIP3    H211496   2.551   0.284   3.422  0.8689 -0.2686  0.5869
+ 3350TIP3   OH211497   3.819   4.704   1.981 -0.7536 -0.4712 -0.2775
+ 3350TIP3    H111498   3.838   4.728   2.072 -2.4409  0.0903 -0.0513
+ 3350TIP3    H211499   3.852   4.614   1.973  0.2350 -0.1939  0.6172
+ 3351TIP3   OH211500   6.522   6.055   2.937  0.2846  0.0017 -0.2593
+ 3351TIP3    H111501   6.605   6.092   2.905  1.1024 -0.8637  0.8393
+ 3351TIP3    H211502   6.509   6.096   3.023  0.0014 -0.4936 -0.0658
+ 3352TIP3   OH211503   5.290   2.145   1.905 -0.3564  0.1477 -0.4089
+ 3352TIP3    H111504   5.240   2.213   1.949  1.8695  1.2586  0.4811
+ 3352TIP3    H211505   5.274   2.066   1.956 -0.7629  0.6084  0.1853
+ 3353TIP3   OH211506   2.665   3.020   1.060  0.0443 -0.0262  0.6076
+ 3353TIP3    H111507   2.718   3.007   1.138 -0.6552  1.1831  1.2994
+ 3353TIP3    H211508   2.589   2.962   1.072  0.3976 -0.5379  0.3812
+ 3354TIP3   OH211509   4.525   0.747   2.777  0.3138 -0.0365 -0.7715
+ 3354TIP3    H111510   4.453   0.757   2.715  0.0580  0.7676 -0.3589
+ 3354TIP3    H211511   4.515   0.658   2.811  0.1652 -0.3090 -1.5148
+ 3355TIP3   OH211512   2.780   1.332   1.888 -0.6919 -0.1132  0.0993
+ 3355TIP3    H111513   2.826   1.398   1.939 -0.1936  0.5746 -1.2308
+ 3355TIP3    H211514   2.828   1.251   1.905  1.4601  0.7221 -1.8092
+ 3356TIP3   OH211515   3.193   6.755   2.922 -0.8623 -0.4744  0.7994
+ 3356TIP3    H111516   3.160   6.837   2.958 -3.2843 -0.9940 -0.1424
+ 3356TIP3    H211517   3.222   6.778   2.834 -1.1450 -0.5283  0.6905
+ 3357TIP3   OH211518   0.420   1.854   0.070 -0.2930 -0.4537  0.8420
+ 3357TIP3    H111519   0.386   1.766   0.088 -1.6633  0.3016  1.9605
+ 3357TIP3    H211520   0.481   1.872   0.142  0.8074 -0.8916  0.0452
+ 3358TIP3   OH211521   3.247   1.451   4.352 -0.6534  0.9263 -0.1940
+ 3358TIP3    H111522   3.155   1.434   4.372 -0.5156  1.2195  0.7144
+ 3358TIP3    H211523   3.289   1.366   4.356 -1.0163  0.6802 -1.3576
+ 3359TIP3   OH211524   2.912   6.846   1.611 -0.2508 -0.1147 -0.5083
+ 3359TIP3    H111525   2.958   6.807   1.685  0.1826 -2.2496 -1.8607
+ 3359TIP3    H211526   2.927   6.941   1.620  0.9219 -0.4630  1.3527
+ 3360TIP3   OH211527   3.310   6.551   4.975  0.1584  0.1448  0.1451
+ 3360TIP3    H111528   3.262   6.621   4.930  0.8201 -0.0285 -0.8451
+ 3360TIP3    H211529   3.340   6.591   5.056  2.0559  1.5519 -1.2273
+ 3361TIP3   OH211530   2.806   2.035   1.227 -0.3506 -0.3857  0.2003
+ 3361TIP3    H111531   2.881   2.093   1.214 -1.4625  0.8380 -0.8781
+ 3361TIP3    H211532   2.733   2.094   1.244 -0.8415 -1.6060  2.6101
+ 3362TIP3   OH211533   0.692   4.546   4.843  0.1028  0.4494  0.6660
+ 3362TIP3    H111534   0.631   4.486   4.801 -0.7194  1.3127  0.6126
+ 3362TIP3    H211535   0.777   4.501   4.840 -0.3752 -0.4119  0.0355
+ 3363TIP3   OH211536   0.419   6.701   6.501  0.0252 -0.0624  0.5467
+ 3363TIP3    H111537   0.458   6.750   6.574  0.8134 -1.2374  0.9304
+ 3363TIP3    H211538   0.468   6.730   6.424 -0.6403  0.9976  0.5193
+ 3364TIP3   OH211539   4.581   1.127   4.911  0.6763 -0.1719  0.4103
+ 3364TIP3    H111540   4.542   1.061   4.967  0.1129  0.7111  1.0802
+ 3364TIP3    H211541   4.544   1.210   4.943  1.0541  0.4222 -0.6662
+ 3365TIP3   OH211542   2.636   1.015   3.545  0.1178  0.2107 -0.5459
+ 3365TIP3    H111543   2.584   1.058   3.614  1.5877  0.0124  0.7284
+ 3365TIP3    H211544   2.595   0.930   3.534  1.7180 -1.0329  2.4005
+ 3366TIP3   OH211545   1.645   6.687   3.088  0.0040 -0.3049  0.0525
+ 3366TIP3    H111546   1.561   6.648   3.063  0.1016 -0.7191  0.3665
+ 3366TIP3    H211547   1.709   6.646   3.030  0.2728 -1.4843  1.1696
+ 3367TIP3   OH211548   2.012   5.073   3.343 -0.0086  0.4445 -0.7249
+ 3367TIP3    H111549   1.962   5.139   3.390  0.7264 -0.2227  1.0352
+ 3367TIP3    H211550   2.075   5.123   3.291 -0.9169  1.1908 -1.1176
+ 3368TIP3   OH211551   2.801   6.757   1.371 -0.0595  0.1268  0.0938
+ 3368TIP3    H111552   2.757   6.839   1.347  2.6755  0.9253 -2.4503
+ 3368TIP3    H211553   2.842   6.777   1.455 -0.4357  0.9524  0.0963
+ 3369TIP3   OH211554   1.582   1.036   5.394  0.2057 -0.4195  0.0320
+ 3369TIP3    H111555   1.669   1.024   5.354 -0.2762 -0.7246 -0.9505
+ 3369TIP3    H211556   1.554   1.122   5.364 -0.0780 -0.5675 -0.1241
+ 3370TIP3   OH211557   3.833   4.990   3.750  0.0871 -0.6344  0.2124
+ 3370TIP3    H111558   3.892   4.984   3.825 -0.2490  1.9903  0.7184
+ 3370TIP3    H211559   3.745   4.989   3.788 -0.1492 -1.5374 -0.3277
+ 3371TIP3   OH211560   3.330   1.653   5.358 -0.3303 -0.0720  0.0826
+ 3371TIP3    H111561   3.403   1.659   5.297 -0.6906 -0.7806 -0.4186
+ 3371TIP3    H211562   3.273   1.585   5.322 -1.7672  1.1897 -0.0783
+ 3372TIP3   OH211563   1.439   5.639   4.756  0.2541 -0.1250 -0.4333
+ 3372TIP3    H111564   1.450   5.580   4.831  1.9866 -3.9406 -3.5246
+ 3372TIP3    H211565   1.527   5.672   4.738 -0.0120  0.1181 -1.3135
+ 3373TIP3   OH211566   2.761   0.193   5.326 -0.2514  0.2199  0.0578
+ 3373TIP3    H111567   2.723   0.168   5.410  1.3845  1.0367  1.0799
+ 3373TIP3    H211568   2.842   0.142   5.320 -0.9871 -0.8132 -1.6514
+ 3374TIP3   OH211569   3.010   2.250   1.278 -0.6639  0.9003 -0.4941
+ 3374TIP3    H111570   3.033   2.302   1.355 -0.6038  0.4494 -0.2049
+ 3374TIP3    H211571   3.092   2.240   1.230 -0.4668  0.1708 -0.0006
+ 3375TIP3   OH211572   3.360   2.515   1.440 -0.2904 -0.2829 -0.0533
+ 3375TIP3    H111573   3.380   2.577   1.371  1.7345 -0.5608  0.2528
+ 3375TIP3    H211574   3.374   2.564   1.521  0.4606 -0.8823  0.1826
+ 3376TIP3   OH211575   2.929   1.776   1.218 -0.4319 -0.1250 -0.2138
+ 3376TIP3    H111576   3.015   1.798   1.181 -1.0411  1.1573 -0.9202
+ 3376TIP3    H211577   2.893   1.860   1.247 -1.4306 -0.6555  0.1096
+ 3377TIP3   OH211578   2.059   2.303   2.002  0.0673  0.1608 -0.6371
+ 3377TIP3    H111579   2.059   2.332   2.093 -1.4301  1.2355 -0.9640
+ 3377TIP3    H211580   2.122   2.360   1.959  0.5856 -0.1770 -0.3309
+ 3378TIP3   OH211581   1.990   0.433   4.206 -0.8421  0.2386  0.1093
+ 3378TIP3    H111582   2.037   0.412   4.125 -2.7003  1.4087 -1.3110
+ 3378TIP3    H211583   2.025   0.518   4.232 -1.9872  1.0037 -0.8228
+ 3379TIP3   OH211584   6.571   0.371   0.078  0.3956  0.0595  0.4139
+ 3379TIP3    H111585   6.511   0.441   0.052  0.4048  0.1316  0.5831
+ 3379TIP3    H211586   6.643   0.417   0.123  0.8834  0.0315 -0.3352
+ 3380TIP3   OH211587   3.612   1.748   1.546  0.0878 -0.2618  0.3112
+ 3380TIP3    H111588   3.563   1.735   1.627 -1.9491 -1.2377 -1.0146
+ 3380TIP3    H211589   3.589   1.837   1.518 -2.0469 -1.1839 -0.9874
+ 3381TIP3   OH211590   3.660   0.338   1.158  0.3626 -0.2345 -0.1586
+ 3381TIP3    H111591   3.590   0.335   1.093 -0.4219 -0.9924  0.7060
+ 3381TIP3    H211592   3.627   0.285   1.231  2.0026 -0.9399  0.0852
+ 3382TIP3   OH211593   4.411   0.969   2.453  0.5052  0.0649  0.5474
+ 3382TIP3    H111594   4.409   0.986   2.359 -1.9486  0.0708  0.5878
+ 3382TIP3    H211595   4.440   1.053   2.491  0.6585  0.3252 -0.1332
+ 3383TIP3   OH211596   4.356   5.353   6.432 -0.0702 -0.0118 -0.2216
+ 3383TIP3    H111597   4.403   5.281   6.390  0.7074  1.1204 -1.3188
+ 3383TIP3    H211598   4.346   5.419   6.364 -0.4910  1.0656  0.8588
+ 3384TIP3   OH211599   5.752   0.806   0.980 -0.2590  0.3562  0.1262
+ 3384TIP3    H111600   5.824   0.794   0.918 -0.1988 -0.2330  0.3103
+ 3384TIP3    H211601   5.722   0.717   1.000 -1.2201  0.6024 -0.1609
+ 3385TIP3   OH211602   5.872  -0.005   6.406  0.2768 -0.3905 -0.3423
+ 3385TIP3    H111603   5.819  -0.038   6.479  0.2618  1.5625  0.5613
+ 3385TIP3    H211604   5.914   0.073   6.441  0.4165  0.4774 -2.3907
+ 3386TIP3   OH211605   1.962   6.765   2.058  0.0398 -0.4136 -0.4638
+ 3386TIP3    H111606   1.959   6.806   1.972 -0.9668  0.3100 -0.0958
+ 3386TIP3    H211607   2.013   6.825   2.112  0.6479 -0.8534 -0.5407
+ 3387TIP3   OH211608   2.818   0.818   3.676  0.3427 -0.0957 -0.0539
+ 3387TIP3    H111609   2.755   0.887   3.654 -0.9851 -1.0662  0.5931
+ 3387TIP3    H211610   2.894   0.836   3.621 -0.6503  0.8967 -1.1306
+ 3388TIP3   OH211611   4.278   1.177   2.123  0.3918 -0.2573 -0.2334
+ 3388TIP3    H111612   4.259   1.176   2.029 -2.0381  1.9777  0.1840
+ 3388TIP3    H211613   4.194   1.195   2.164  1.0689 -2.9483  2.5315
+ 3389TIP3   OH211614   2.151   6.509   1.919 -0.4356  0.1626  0.2459
+ 3389TIP3    H111615   2.186   6.588   1.879  1.9268 -1.7101 -1.5375
+ 3389TIP3    H211616   2.190   6.506   2.006 -2.0857  1.9366  1.0782
+ 3390TIP3   OH211617   5.870   6.471   0.378  0.3355 -0.0494  0.9074
+ 3390TIP3    H111618   5.918   6.491   0.299  1.1289  0.6272  1.5544
+ 3390TIP3    H211619   5.903   6.386   0.406  0.6489  0.0954  0.9723
+ 3391TIP3   OH211620   4.992   6.834   6.747  0.2759 -0.2348 -0.0338
+ 3391TIP3    H111621   4.994   6.901   6.679  1.5480  0.2455  0.4655
+ 3391TIP3    H211622   4.996   6.883   6.829  0.0707 -0.8746  0.3597
+ 3392TIP3   OH211623   2.684   0.566   2.254 -0.0405  0.2910  0.1910
+ 3392TIP3    H111624   2.617   0.511   2.293  0.1040  1.4326  2.1245
+ 3392TIP3    H211625   2.637   0.644   2.223  0.0742  0.0761 -0.5421
+ 3393TIP3   OH211626   1.153   5.262   4.160  0.3161 -0.5337 -1.1023
+ 3393TIP3    H111627   1.141   5.356   4.170  1.1976 -0.4702 -0.6133
+ 3393TIP3    H211628   1.065   5.226   4.169  0.1706  0.1182  0.1331
+ 3394TIP3   OH211629   4.187   5.949   3.535 -0.2330 -0.1952  0.1004
+ 3394TIP3    H111630   4.121   5.940   3.604  2.2123  0.8818  2.6905
+ 3394TIP3    H211631   4.232   5.865   3.535  1.4248  0.6535  1.6606
+ 3395TIP3   OH211632   2.916   0.608   1.908  0.6484  0.2488 -0.0701
+ 3395TIP3    H111633   2.965   0.686   1.934 -0.8229  0.5922  1.7940
+ 3395TIP3    H211634   2.928   0.547   1.980  0.3613 -0.5971 -0.7286
+ 3396TIP3   OH211635   1.292   2.539   2.238  0.7865 -0.5607  0.2162
+ 3396TIP3    H111636   1.216   2.489   2.270  0.0042 -0.7825 -1.8879
+ 3396TIP3    H211637   1.343   2.475   2.188  0.0632  0.5894 -2.0364
+ 3397TIP3   OH211638   3.402   1.007   4.288 -0.1987  0.2388 -0.1589
+ 3397TIP3    H111639   3.465   1.080   4.279  2.4398 -1.8532  0.6806
+ 3397TIP3    H211640   3.354   1.026   4.368 -0.4985  1.7382 -0.6733
+ 3398TIP3   OH211641   3.175   5.740   0.533 -1.0204  0.3049  0.8887
+ 3398TIP3    H111642   3.190   5.833   0.515 -1.5446  0.6886  2.4102
+ 3398TIP3    H211643   3.250   5.714   0.587 -0.0407 -0.5643 -0.8597
+ 3399TIP3   OH211644   5.439   6.264   2.393  0.0238  0.3327  0.0895
+ 3399TIP3    H111645   5.409   6.183   2.353  0.2944 -0.4741  1.4947
+ 3399TIP3    H211646   5.487   6.309   2.323  1.9327 -1.8368 -0.0650
+ 3400TIP3   OH211647   2.338   6.771   1.522  0.7616  0.6932  0.3798
+ 3400TIP3    H111648   2.268   6.832   1.549  0.4509  0.5086 -0.0007
+ 3400TIP3    H211649   2.358   6.721   1.602 -1.1095 -0.7897 -0.0330
+ 3401TIP3   OH211650   4.917   2.583   6.647 -0.2524 -0.4990 -0.3932
+ 3401TIP3    H111651   4.915   2.556   6.555 -1.0760 -0.6018 -0.3506
+ 3401TIP3    H211652   4.893   2.504   6.696 -1.2859 -0.0667 -0.1826
+ 3402TIP3   OH211653   2.128   0.383   3.966  0.0727  0.0445  0.3970
+ 3402TIP3    H111654   2.208   0.416   4.007  0.3773  0.2528 -0.3527
+ 3402TIP3    H211655   2.113   0.442   3.893  1.8989 -2.7450 -2.3727
+ 3403TIP3   OH211656   2.914   0.801   0.865  0.0886 -0.3433  0.1269
+ 3403TIP3    H111657   2.906   0.890   0.900 -2.0297 -0.4192 -0.1073
+ 3403TIP3    H211658   2.996   0.768   0.902  0.6048  1.4941  0.6786
+ 3404TIP3   OH211659   2.260   1.621   1.781  0.0888  0.4555  0.2453
+ 3404TIP3    H111660   2.342   1.599   1.737  0.0894 -0.1750  0.5595
+ 3404TIP3    H211661   2.198   1.554   1.750  0.2442 -0.3548  1.6802
+ 3405TIP3   OH211662   3.102   1.494   2.425 -0.3705  0.5134 -0.1881
+ 3405TIP3    H111663   3.075   1.404   2.446  2.6523  0.1670  2.5154
+ 3405TIP3    H211664   3.020   1.543   2.420 -1.9927 -2.1649 -0.5931
+ 3406TIP3   OH211665   2.707   0.501   1.482 -0.2697  0.4526  0.1332
+ 3406TIP3    H111666   2.683   0.464   1.397 -0.4325 -0.4070  0.5426
+ 3406TIP3    H211667   2.785   0.554   1.464 -1.5103  1.9580 -0.9060
+ 3407TIP3   OH211668   2.494   2.408   3.684 -0.1540 -0.5527  0.0305
+ 3407TIP3    H111669   2.403   2.420   3.659 -0.0444  2.1254  0.7452
+ 3407TIP3    H211670   2.496   2.429   3.778  1.4546  0.9239 -0.3155
+ 3408TIP3   OH211671   3.892   0.968   1.056  0.3089  0.3036 -0.3646
+ 3408TIP3    H111672   3.871   0.885   1.013  0.6164 -0.9917  1.9502
+ 3408TIP3    H211673   3.846   1.034   1.003  0.2623 -1.2866 -2.3638
+ 3409TIP3   OH211674   3.104   0.416   2.126 -0.1274 -0.6346  0.3963
+ 3409TIP3    H111675   3.192   0.429   2.089 -1.0965  0.5948 -1.5593
+ 3409TIP3    H211676   3.119   0.366   2.206  2.3685 -0.3877  0.1276
+ 3410TIP3   OH211677   2.362   1.137   4.578 -0.3457 -0.7335 -0.0309
+ 3410TIP3    H111678   2.305   1.178   4.643  0.6855 -1.6249  1.4714
+ 3410TIP3    H211679   2.355   1.193   4.501 -1.0583  0.7230  1.0702
+ 3411TIP3   OH211680   2.065   5.998   0.693 -0.2103 -0.2713  0.6613
+ 3411TIP3    H111681   2.147   5.959   0.664  0.2431  1.0831  0.0918
+ 3411TIP3    H211682   2.008   5.924   0.711  1.0475 -1.2170  0.7891
+ 3412TIP3   OH211683   4.539   1.757   1.912  0.0344 -0.8515 -0.1520
+ 3412TIP3    H111684   4.561   1.816   1.984  0.9308 -2.3398  0.8253
+ 3412TIP3    H211685   4.480   1.692   1.952 -1.9398  0.0722 -1.5040
+ 3413TIP3   OH211686   5.341   1.815   1.465  0.0020 -0.0362 -0.5318
+ 3413TIP3    H111687   5.340   1.840   1.372 -1.3138  0.2842 -0.4359
+ 3413TIP3    H211688   5.327   1.897   1.512 -1.5542 -0.5292 -0.1238
+ 3414TIP3   OH211689   2.635   6.173   3.165  0.5173  0.1180  0.6104
+ 3414TIP3    H111690   2.715   6.160   3.115  1.6251 -0.6248  2.5125
+ 3414TIP3    H211691   2.574   6.107   3.131  1.1035 -0.0981 -0.0360
+ 3415TIP3   OH211692   0.901   0.128   2.683 -0.5543 -0.1691  0.0342
+ 3415TIP3    H111693   0.850   0.088   2.612 -1.0153  0.7022 -0.1324
+ 3415TIP3    H211694   0.934   0.209   2.646 -0.4217  0.0725  0.6782
+ 3416TIP3   OH211695   3.177   1.135   1.316 -0.5714  0.3855 -0.1817
+ 3416TIP3    H111696   3.272   1.129   1.331 -0.9031  0.4459  2.0487
+ 3416TIP3    H211697   3.169   1.170   1.227  1.4847 -3.8923 -2.1705
+ 3417TIP3   OH211698   3.118   0.103   3.040  0.2446 -0.0590 -0.4435
+ 3417TIP3    H111699   3.169   0.060   3.109 -1.2235 -1.5125 -0.2418
+ 3417TIP3    H211700   3.158   0.190   3.032  1.2403 -0.3222  1.3534
+ 3418TIP3   OH211701   2.995   0.120   1.380  0.2748  0.5369  0.3010
+ 3418TIP3    H111702   2.942   0.186   1.336  2.3936  2.3217  0.3229
+ 3418TIP3    H211703   3.042   0.169   1.448  3.1640 -0.6395 -0.7750
+ 3419TIP3   OH211704   3.786   6.069   3.591  0.0132  0.0211  0.5659
+ 3419TIP3    H111705   3.861   6.123   3.617  0.5984 -1.0364  1.1510
+ 3419TIP3    H211706   3.746   6.043   3.674  0.4924 -1.4633  0.3535
+ 3420TIP3   OH211707   2.855   6.543   3.004  0.2942  0.0450 -0.1075
+ 3420TIP3    H111708   2.860   6.576   3.093  2.2828  0.6087 -0.4175
+ 3420TIP3    H211709   2.878   6.618   2.949 -1.5018 -0.1182 -1.1582
+ 3421TIP3   OH211710   3.386   0.140   1.788  0.4936  0.6896 -0.4455
+ 3421TIP3    H111711   3.349   0.226   1.768  2.4591  1.4662 -0.9042
+ 3421TIP3    H211712   3.338   0.080   1.732  0.4665  1.7817 -1.6277
+ 3422TIP3   OH211713   2.532   4.168   0.583 -0.2103  0.3070 -0.4638
+ 3422TIP3    H111714   2.615   4.122   0.584  0.4732  1.5289  0.4404
+ 3422TIP3    H211715   2.476   4.115   0.526  1.2754 -0.3417 -1.3631
+ 3423TIP3   OH211716   0.878   2.441   1.702  0.5686 -0.2684  0.0053
+ 3423TIP3    H111717   0.893   2.465   1.793 -0.2462  0.4973 -0.0480
+ 3423TIP3    H211718   0.902   2.520   1.653 -2.4059  0.6033 -0.1597
+ 3424TIP3   OH211719   4.904   6.610   5.787 -0.1164 -0.4419 -0.0916
+ 3424TIP3    H111720   4.996   6.626   5.809 -0.3699  2.2550 -0.8736
+ 3424TIP3    H211721   4.908   6.540   5.721  1.3908 -0.3123 -0.1693
+ 3425TIP3   OH211722   2.911   2.638   1.560  0.5272  0.2519  0.4943
+ 3425TIP3    H111723   2.842   2.575   1.581  1.4970 -0.0639  2.9300
+ 3425TIP3    H211724   2.944   2.610   1.475 -0.0804 -1.6548  0.8564
+ 3426TIP3   OH211725   3.648   4.016   1.768 -0.3403  0.2683 -0.2274
+ 3426TIP3    H111726   3.728   4.069   1.764 -0.1858  0.2288  1.9024
+ 3426TIP3    H211727   3.657   3.955   1.695  1.4988  0.3947 -0.1400
+ 3427TIP3   OH211728   2.274   1.733   4.909 -0.1862 -0.9154 -0.3417
+ 3427TIP3    H111729   2.192   1.690   4.886 -1.0618 -0.1853  1.3802
+ 3427TIP3    H211730   2.320   1.743   4.826 -1.7221 -1.5560 -1.2783
+ 3428TIP3   OH211731   3.168   1.821   2.393  0.0447  0.0555  0.0604
+ 3428TIP3    H111732   3.240   1.780   2.442  0.4657  1.9964  1.1461
+ 3428TIP3    H211733   3.094   1.761   2.403  0.8088 -0.7327  1.0890
+ 3429TIP3   OH211734   2.586   0.787   0.871  0.4179 -0.1913  0.0366
+ 3429TIP3    H111735   2.563   0.731   0.945  0.0908  0.3721  0.3669
+ 3429TIP3    H211736   2.679   0.807   0.884  0.5333 -0.6596 -0.0824
+ 3430TIP3   OH211737   3.869   1.602   3.868  0.3573  0.4416 -0.4068
+ 3430TIP3    H111738   3.793   1.560   3.909 -0.1445 -0.9963 -2.7177
+ 3430TIP3    H211739   3.941   1.585   3.929 -0.8321  0.4792  1.0618
+ 3431TIP3   OH211740   4.368   1.574   3.146 -0.0515  0.8464 -0.1944
+ 3431TIP3    H111741   4.396   1.538   3.230 -0.8025 -1.0147 -0.7192
+ 3431TIP3    H211742   4.321   1.655   3.169  0.8313  1.0106  1.0678
+ 3432TIP3   OH211743   4.950   1.137   1.710 -0.3197 -0.3033 -0.6098
+ 3432TIP3    H111744   4.898   1.072   1.758  0.8457 -1.3385 -0.7192
+ 3432TIP3    H211745   4.899   1.154   1.631  0.1494 -2.3740 -1.4041
+ 3433TIP3   OH211746   4.882   0.860   3.712  0.0053 -0.2066 -0.1303
+ 3433TIP3    H111747   4.839   0.864   3.626  0.9003  2.0994 -0.5208
+ 3433TIP3    H211748   4.928   0.944   3.719 -0.4211 -0.1740  2.8087
+ 3434TIP3   OH211749   4.596   3.709   2.311 -0.4560  0.8257 -0.5575
+ 3434TIP3    H111750   4.686   3.683   2.290 -0.2417  0.7008  0.5002
+ 3434TIP3    H211751   4.605   3.797   2.348 -0.5413  0.0590  1.3671
+ 3435TIP3   OH211752   4.616   2.880   0.641 -0.0466  0.0337  0.3823
+ 3435TIP3    H111753   4.627   2.814   0.710 -0.4172  2.7084  3.0850
+ 3435TIP3    H211754   4.699   2.879   0.593  1.4826  0.4637  2.9664
+ 3436TIP3   OH211755   4.872   2.648   1.585 -0.6682  0.1588  0.1489
+ 3436TIP3    H111756   4.861   2.583   1.655 -1.5435  0.5661  0.3836
+ 3436TIP3    H211757   4.883   2.731   1.631  2.3639 -0.0525 -0.0808
+ 3437TIP3   OH211758   4.337   1.150   0.672  0.3049 -0.0573 -0.7704
+ 3437TIP3    H111759   4.401   1.090   0.709  0.1299 -0.3591 -0.9527
+ 3437TIP3    H211760   4.318   1.212   0.742  0.9736  0.1744 -0.7926
+ 3438TIP3   OH211761   6.104   1.935   2.093  0.4633 -0.7277 -0.0038
+ 3438TIP3    H111762   6.097   1.945   2.188 -0.0111  1.7771 -0.2830
+ 3438TIP3    H211763   6.016   1.908   2.065  0.7679 -2.0910  0.3253
+ 3439TIP3   OH211764   3.875   1.085   1.959 -0.0985 -0.0581 -0.5835
+ 3439TIP3    H111765   3.932   1.020   2.000  0.5689  1.4115  0.8783
+ 3439TIP3    H211766   3.838   1.134   2.032  0.3451  1.9932 -1.7032
+ 3440TIP3   OH211767   5.036   0.167   1.795  0.2133 -0.0232 -0.3713
+ 3440TIP3    H111768   5.017   0.158   1.889  0.0158  2.5250 -0.1455
+ 3440TIP3    H211769   5.008   0.255   1.773  2.7949  0.3861 -2.2323
+ 3441TIP3   OH211770   5.798   4.029   4.513 -0.0694 -0.6637 -0.5985
+ 3441TIP3    H111771   5.818   4.117   4.544 -2.1151 -0.4425  0.2174
+ 3441TIP3    H211772   5.883   3.991   4.491  0.6913  2.1048 -2.6503
+ 3442TIP3   OH211773   3.299   1.890   1.400 -0.5113 -0.0164  0.1435
+ 3442TIP3    H111774   3.293   1.905   1.494 -0.9347 -1.7542  0.4120
+ 3442TIP3    H211775   3.283   1.976   1.361 -4.3272  0.0158  1.5678
+ 3443TIP3   OH211776   4.251   0.205   3.864 -0.1429 -0.6080 -0.8049
+ 3443TIP3    H111777   4.300   0.243   3.936 -0.4945 -0.2796 -0.7355
+ 3443TIP3    H211778   4.318   0.169   3.806  0.1502 -0.6673 -0.4304
+ 3444TIP3   OH211779   2.080   2.024   3.669 -0.3399 -0.4218  0.3489
+ 3444TIP3    H111780   2.141   2.032   3.742  0.6901 -0.8415 -0.4536
+ 3444TIP3    H211781   2.114   1.951   3.617 -0.5807  0.3901 -0.9877
+ 3445TIP3   OH211782   5.575   1.230   1.612 -0.3085  0.7758  0.1592
+ 3445TIP3    H111783   5.593   1.279   1.532 -0.3073  0.6426  0.0780
+ 3445TIP3    H211784   5.639   1.264   1.675 -0.0160  0.5689 -0.0229
+ 3446TIP3   OH211785   5.268   0.444   4.173 -0.6174  0.0576 -0.1802
+ 3446TIP3    H111786   5.271   0.484   4.086  0.1509  1.2483  0.3722
+ 3446TIP3    H211787   5.355   0.460   4.210 -1.3129  0.6216  1.2608
+ 3447TIP3   OH211788   3.723   6.812   3.630  0.0671 -0.5298  0.3879
+ 3447TIP3    H111789   3.806   6.777   3.598 -0.2328 -0.7116 -0.1883
+ 3447TIP3    H211790   3.746   6.895   3.671  0.6823 -1.0747  1.1535
+ 3448TIP3   OH211791   4.779   3.005   2.264  0.2908 -0.0464  0.2302
+ 3448TIP3    H111792   4.789   3.004   2.169  1.1837  0.7495  0.3087
+ 3448TIP3    H211793   4.688   2.981   2.279 -0.0293  0.4793 -0.8565
+ 3449TIP3   OH211794   4.429   2.232   1.772 -0.0066  0.1149 -0.1064
+ 3449TIP3    H111795   4.435   2.157   1.832  2.4105 -0.2853 -0.7952
+ 3449TIP3    H211796   4.465   2.305   1.822 -1.1939  0.5544  0.1203
+ 3450TIP3   OH211797   2.944   1.113   3.317 -0.0529 -0.3465  0.2498
+ 3450TIP3    H111798   2.894   1.195   3.314  0.1689 -0.1798  0.9468
+ 3450TIP3    H211799   2.962   1.093   3.225 -0.1579  0.3640  0.0675
+ 3451TIP3   OH211800   4.278   0.725   2.575 -0.6477  0.0917  0.2651
+ 3451TIP3    H111801   4.284   0.780   2.496 -1.6551 -1.1916 -0.7244
+ 3451TIP3    H211802   4.187   0.731   2.601 -0.5194 -0.2653  0.7842
+ 3452TIP3   OH211803   6.143   3.168   2.938 -0.2631 -0.1643  0.1261
+ 3452TIP3    H111804   6.160   3.104   2.869 -1.9318  0.3030 -0.7301
+ 3452TIP3    H211805   6.176   3.251   2.902  0.9765 -0.3307  0.8341
+ 3453TIP3   OH211806   3.269   2.243   1.174 -0.3536 -0.6697 -0.0752
+ 3453TIP3    H111807   3.327   2.300   1.124  0.2593 -3.2378 -2.3812
+ 3453TIP3    H211808   3.322   2.215   1.249 -0.4107  1.1258  0.6641
+ 3454TIP3   OH211809   5.049   2.161   4.054  0.0096 -0.2415 -0.0822
+ 3454TIP3    H111810   5.061   2.253   4.080 -2.6752 -0.0566  0.6526
+ 3454TIP3    H211811   4.983   2.164   3.986 -1.5777 -1.7883  1.3546
+ 3455TIP3   OH211812   4.025   6.338   4.531 -0.4585 -0.8257 -0.6756
+ 3455TIP3    H111813   3.992   6.388   4.456 -0.7510 -0.0490 -0.0377
+ 3455TIP3    H211814   3.967   6.362   4.604  1.1677  0.1750  0.3398
+ 3456TIP3   OH211815   4.825   6.854   2.455  0.3146  0.6495 -0.8073
+ 3456TIP3    H111816   4.809   6.788   2.388  0.3446 -0.6559  0.4312
+ 3456TIP3    H211817   4.920   6.856   2.465  0.2797  0.3391 -0.3482
+ 3457TIP3   OH211818   0.217   1.057   4.134 -0.5371  0.2776 -0.5075
+ 3457TIP3    H111819   0.126   1.054   4.163 -0.6642 -0.8581 -1.0082
+ 3457TIP3    H211820   0.220   1.132   4.075 -0.8391  1.1020  0.5093
+ 3458TIP3   OH211821   6.479   2.397   1.222  0.3053 -0.6941 -0.1148
+ 3458TIP3    H111822   6.495   2.328   1.287 -1.7298 -0.4866  0.6386
+ 3458TIP3    H211823   6.448   2.471   1.273 -0.5519 -0.2616 -1.2529
+ 3459TIP3   OH211824   0.499   1.554   2.798  0.0762 -0.7791 -0.3802
+ 3459TIP3    H111825   0.515   1.627   2.859  0.0071 -1.6536  0.6922
+ 3459TIP3    H211826   0.585   1.514   2.786 -0.0424 -1.0658 -0.2687
+ 3460TIP3   OH211827   4.573   6.041   0.803  0.5986 -0.0361  0.3163
+ 3460TIP3    H111828   4.588   6.135   0.799 -2.5929  0.5624  1.1153
+ 3460TIP3    H211829   4.600   6.016   0.892 -2.7409  0.9816  1.6803
+ 3461TIP3   OH211830   5.881   0.715   0.501 -0.7505 -0.2911 -0.1657
+ 3461TIP3    H111831   5.808   0.719   0.440 -1.3814  0.9341  0.6577
+ 3461TIP3    H211832   5.900   0.621   0.509 -0.8384 -0.4883 -2.0068
+ 3462TIP3   OH211833   4.320   1.751   4.584  0.0680 -0.0477  0.2627
+ 3462TIP3    H111834   4.323   1.847   4.577  3.3560 -0.1667 -1.0541
+ 3462TIP3    H211835   4.291   1.722   4.498  2.7256 -0.2831 -0.6186
+ 3463TIP3   OH211836   4.959   0.344   2.181  0.8903  0.3492 -0.2994
+ 3463TIP3    H111837   5.002   0.427   2.161 -2.2566  3.0138  3.1751
+ 3463TIP3    H211838   4.890   0.335   2.115 -0.8119  2.2086  1.1663
+ 3464TIP3   OH211839   1.926   0.560   5.415  0.2152  0.1899 -0.2079
+ 3464TIP3    H111840   1.872   0.483   5.431  1.4326 -0.5451  0.4518
+ 3464TIP3    H211841   1.871   0.634   5.439 -0.7918 -0.4960 -0.3848
+ 3465TIP3   OH211842   4.009   1.439   1.678  0.5547 -0.0885 -0.8524
+ 3465TIP3    H111843   4.067   1.483   1.615 -0.0137  2.7543  0.5458
+ 3465TIP3    H211844   4.036   1.473   1.763 -0.3385 -2.0076  0.2146
+ 3466TIP3   OH211845   3.952   0.068   2.704  0.0396 -0.0369 -0.1154
+ 3466TIP3    H111846   4.026   0.010   2.720 -2.1057 -2.9521 -0.4123
+ 3466TIP3    H211847   3.916   0.038   2.620 -0.4246  2.5323 -0.8984
+ 3467TIP3   OH211848   3.557   2.448   1.972  0.2012 -0.0913 -0.1704
+ 3467TIP3    H111849   3.646   2.414   1.967  1.0539  2.0185  0.1512
+ 3467TIP3    H211850   3.509   2.398   1.906  1.5645 -1.3554 -0.2429
+ 3468TIP3   OH211851   5.784   1.352   3.965 -0.2929 -0.2648  0.1443
+ 3468TIP3    H111852   5.825   1.316   4.044 -1.2401  2.0021  1.7010
+ 3468TIP3    H211853   5.692   1.329   3.973 -0.5653  0.8489  0.1922
+ 3469TIP3   OH211854   3.101   0.983   3.083 -0.1217  0.5006  0.3481
+ 3469TIP3    H111855   3.139   1.069   3.097  0.5246  0.8178 -2.9188
+ 3469TIP3    H211856   3.023   1.000   3.029 -0.2645 -0.8939  0.1003
+ 3470TIP3   OH211857   0.440   6.532   2.494  0.1172  0.4264  0.3215
+ 3470TIP3    H111858   0.367   6.500   2.548 -0.1496 -0.2611 -0.4455
+ 3470TIP3    H211859   0.485   6.453   2.465  0.9237  0.8353  0.4360
+ 3471TIP3   OH211860   1.215   5.560   2.682  0.2774  0.5143  0.5235
+ 3471TIP3    H111861   1.242   5.652   2.680  0.9443  0.3108 -0.7930
+ 3471TIP3    H211862   1.288   5.514   2.640  0.3947 -0.7347  2.0658
+ 3472TIP3   OH211863   0.789   2.847   1.215 -0.3454  0.0438 -0.5068
+ 3472TIP3    H111864   0.824   2.808   1.135 -0.1380  2.8764 -1.8445
+ 3472TIP3    H211865   0.853   2.915   1.238 -2.3576  1.8331 -0.1182
+ 3473TIP3   OH211866   4.642   1.567   5.250  0.1450  0.2130 -0.6141
+ 3473TIP3    H111867   4.656   1.649   5.296 -1.2759  0.5165 -0.6858
+ 3473TIP3    H211868   4.725   1.548   5.206  0.8631  0.9620  0.4159
+ 3474TIP3   OH211869   5.749   0.817   1.952  0.1511  0.7552 -0.3531
+ 3474TIP3    H111870   5.675   0.866   1.987  0.0440 -0.6242  1.3652
+ 3474TIP3    H211871   5.825   0.873   1.969 -0.1764  1.0570  0.1325
+ 3475TIP3   OH211872   3.790   5.951   2.477 -0.1952  0.4634  0.0074
+ 3475TIP3    H111873   3.816   5.887   2.542  1.8808 -0.3216 -1.5449
+ 3475TIP3    H211874   3.783   5.902   2.395 -0.1843  1.9033 -0.8882
+ 3476TIP3   OH211875   5.608   1.051   2.771 -0.1117  0.5849 -0.0273
+ 3476TIP3    H111876   5.686   1.015   2.729 -0.1236 -0.0278  0.4687
+ 3476TIP3    H211877   5.636   1.072   2.860 -0.8813 -0.9523  0.5879
+ 3477TIP3   OH211878   5.272   1.534   1.982  0.3653  0.1279 -0.1281
+ 3477TIP3    H111879   5.323   1.525   2.062 -1.4548  0.5883  1.1132
+ 3477TIP3    H211880   5.207   1.464   1.987 -0.8275  1.1902 -0.3479
+ 3478TIP3   OH211881   3.135   1.634   3.720  0.7219  0.1076  0.1384
+ 3478TIP3    H111882   3.124   1.635   3.816 -0.4000  0.0740  0.0178
+ 3478TIP3    H211883   3.089   1.712   3.690 -1.9915 -1.7354 -0.6791
+ 3479TIP3   OH211884   6.781   6.103   3.828 -0.0979 -0.2310  0.2014
+ 3479TIP3    H111885   6.762   6.104   3.922  3.4266 -0.5810  1.0088
+ 3479TIP3    H211886   6.822   6.018   3.813  1.6093  0.7762 -1.1089
+ 3480TIP3   OH211887   3.102   6.728   4.272  0.2562 -0.3633 -0.6965
+ 3480TIP3    H111888   3.137   6.698   4.188  0.3413 -3.0200  0.2334
+ 3480TIP3    H211889   3.179   6.761   4.319  0.3519  0.2994 -1.3064
+ 3481TIP3   OH211890   4.957   3.294   1.824 -0.0033 -0.0726 -0.1212
+ 3481TIP3    H111891   4.987   3.270   1.737  0.3477  1.9430 -0.5833
+ 3481TIP3    H211892   5.004   3.375   1.844 -1.5535  0.5439  1.1391
+ 3482TIP3   OH211893   2.786   0.650   2.539 -0.7101 -0.2774  0.3625
+ 3482TIP3    H111894   2.776   0.668   2.446 -0.1666  1.7393  0.6607
+ 3482TIP3    H211895   2.716   0.700   2.581 -0.0329  0.0518  1.1261
+ 3483TIP3   OH211896   5.261   1.252   1.462  0.5945  0.2604  0.1702
+ 3483TIP3    H111897   5.219   1.337   1.450 -1.4854 -0.7440 -0.0089
+ 3483TIP3    H211898   5.256   1.235   1.556  0.7916  0.2315  0.1755
+ 3484TIP3   OH211899   2.949   0.630   1.460 -0.5272  0.3445 -0.9973
+ 3484TIP3    H111900   2.961   0.724   1.446 -0.5604  0.5189  0.1131
+ 3484TIP3    H211901   3.037   0.598   1.483 -1.1214  0.6979  1.9186
+ 3485TIP3   OH211902   5.141   1.778   1.970 -0.0097  0.3772  0.3382
+ 3485TIP3    H111903   5.049   1.760   1.990 -0.1663  3.0072  2.0658
+ 3485TIP3    H211904   5.185   1.693   1.982 -1.8304 -0.4144  1.5576
+ 3486TIP3   OH211905   3.837   2.129   4.281 -0.1118 -0.3787  0.3844
+ 3486TIP3    H111906   3.877   2.216   4.281 -2.0153  0.5187 -1.3182
+ 3486TIP3    H211907   3.912   2.069   4.287  1.3656  1.3117 -0.6304
+ 3487TIP3   OH211908   3.964   1.646   2.402  0.5078 -0.5862 -0.8861
+ 3487TIP3    H111909   4.052   1.668   2.431  0.0988 -0.0755  0.0224
+ 3487TIP3    H211910   3.949   1.700   2.325  0.0406  1.2868  0.4856
+ 3488TIP3   OH211911   5.406   6.570   4.016 -0.2218 -1.2703  0.5202
+ 3488TIP3    H111912   5.460   6.538   4.089 -0.5520 -1.5272  0.6512
+ 3488TIP3    H211913   5.317   6.571   4.051 -0.2569 -0.5244  0.4087
+ 3489TIP3   OH211914   3.481   0.012   1.283 -0.2468 -0.1286 -0.4035
+ 3489TIP3    H111915   3.485  -0.063   1.342  0.4422  1.0179  1.0405
+ 3489TIP3    H211916   3.530   0.081   1.328 -0.5152  1.0669 -1.8904
+ 3490TIP3   OH211917   6.005   1.914   2.362  0.3494  0.0088 -0.0257
+ 3490TIP3    H111918   6.014   1.822   2.389  0.7798 -0.1603 -0.7143
+ 3490TIP3    H211919   5.949   1.953   2.428 -0.3250 -0.9049 -0.0456
+ 3491TIP3   OH211920   5.443   1.678   3.202 -0.7907 -0.4277  0.0620
+ 3491TIP3    H111921   5.367   1.635   3.241 -0.5102 -0.9889 -0.0168
+ 3491TIP3    H211922   5.492   1.713   3.276 -0.2571 -1.4948  0.2097
+ 3492TIP3   OH211923   2.947   1.187   2.728  0.1759  0.2242 -0.1639
+ 3492TIP3    H111924   3.010   1.237   2.676  0.9017  1.2457  1.6562
+ 3492TIP3    H211925   2.943   1.233   2.812  0.5185 -2.5124  1.4136
+ 3493TIP3   OH211926   4.886   0.327   0.141  0.7151  0.0490 -0.3579
+ 3493TIP3    H111927   4.959   0.292   0.090  1.3126  1.5985 -0.6174
+ 3493TIP3    H211928   4.928   0.361   0.221  0.1700  0.2289 -0.1487
+ 3494TIP3   OH211929   3.231   0.165   2.747 -0.3812  0.2597 -0.4527
+ 3494TIP3    H111930   3.138   0.181   2.727  0.0919  1.6638 -1.6132
+ 3494TIP3    H211931   3.242   0.198   2.836 -1.1627 -0.6115 -0.0211
+ 3495TIP3   OH211932   3.787   6.216   2.197  0.0038  0.2191 -0.1087
+ 3495TIP3    H111933   3.805   6.310   2.198  0.0369  0.2303 -1.4204
+ 3495TIP3    H211934   3.794   6.190   2.289  2.7975  0.9738 -0.0365
+ 3496TIP3   OH211935   1.490   6.196   3.882 -0.0620  0.0190 -0.2510
+ 3496TIP3    H111936   1.522   6.200   3.972 -0.2273  1.3860 -0.2415
+ 3496TIP3    H211937   1.552   6.137   3.838 -0.7486 -1.7137  1.0465
+ 3497TIP3   OH211938   6.140   1.534   0.634 -0.4782  0.0175  0.8378
+ 3497TIP3    H111939   6.139   1.622   0.670 -2.3693  0.3104  0.1516
+ 3497TIP3    H211940   6.114   1.546   0.542  0.4053 -1.1282  0.4258
+ 3498TIP3   OH211941   5.859   1.286   1.812  0.4646  0.3387 -0.0237
+ 3498TIP3    H111942   5.896   1.326   1.734  0.2663 -1.0625 -0.8473
+ 3498TIP3    H211943   5.925   1.300   1.880  0.2034  2.4325 -0.1755
+ 3499TIP3   OH211944   4.144   6.721   4.410 -0.1148  0.1688 -0.0037
+ 3499TIP3    H111945   4.112   6.633   4.389  0.4418  0.4827 -2.2568
+ 3499TIP3    H211946   4.239   6.713   4.409 -0.0653  0.4933  1.2123
+ 3500TIP3   OH211947   4.218   1.161   2.898  0.7368 -0.8485 -0.1547
+ 3500TIP3    H111948   4.304   1.124   2.876 -0.1777 -2.8173 -0.5623
+ 3500TIP3    H211949   4.216   1.162   2.994  0.8305 -1.7620 -0.1389
+ 3501TIP3   OH211950   4.001   6.608   1.005  0.6190 -0.2419  0.1171
+ 3501TIP3    H111951   3.934   6.545   1.033 -1.3532  1.3737 -0.8700
+ 3501TIP3    H211952   4.013   6.665   1.081  0.7367 -0.4287  0.2382
+ 3502TIP3   OH211953   3.945   1.761   0.479  0.2332 -0.4365 -0.3804
+ 3502TIP3    H111954   3.959   1.715   0.561 -2.6700 -1.8268 -0.6083
+ 3502TIP3    H211955   3.851   1.757   0.465  0.3707  2.1196 -2.4370
+ 3503TIP3   OH211956   4.889   1.012   2.644 -0.1388  0.4894 -0.1846
+ 3503TIP3    H111957   4.848   0.957   2.578 -2.6259 -0.5751  2.1196
+ 3503TIP3    H211958   4.832   1.088   2.652  1.6478  1.9874 -1.1912
+ 3504TIP3   OH211959   4.241   6.282   2.831  0.4608 -0.0047  0.1091
+ 3504TIP3    H111960   4.307   6.212   2.829  0.0845 -0.3432 -0.5685
+ 3504TIP3    H211961   4.255   6.330   2.749 -0.1185 -0.0621 -0.0233
+ 3505TIP3   OH211962   5.850   6.029   0.279 -0.1063 -0.3078 -0.2765
+ 3505TIP3    H111963   5.767   6.075   0.267 -0.7444 -1.6316 -1.0542
+ 3505TIP3    H211964   5.916   6.092   0.250 -0.9617  0.1091 -1.3851
+ 3506TIP3   OH211965   4.370   2.056   3.275  0.6493  0.2979 -0.0144
+ 3506TIP3    H111966   4.413   2.048   3.360  1.8285 -0.9654 -0.7078
+ 3506TIP3    H211967   4.351   2.150   3.267  0.3950  0.4076  1.6901
+ 3507TIP3   OH211968   4.929   6.661   4.575  0.5440 -0.5768 -0.4293
+ 3507TIP3    H111969   4.864   6.679   4.507  1.1266 -1.8108 -1.3374
+ 3507TIP3    H211970   4.982   6.589   4.539  1.0731 -1.0125  1.1807
+ 3508TIP3   OH211971   5.515   0.660   2.736 -0.5324 -0.2847  0.1225
+ 3508TIP3    H111972   5.563   0.638   2.816 -1.4015  0.0102  0.7374
+ 3508TIP3    H211973   5.583   0.684   2.673  0.1332  0.0355  0.9460
+ 3509TIP3   OH211974   3.518   1.594   2.194 -0.1514 -0.0826  0.0033
+ 3509TIP3    H111975   3.491   1.561   2.108  2.6686 -0.7858 -0.6646
+ 3509TIP3    H211976   3.540   1.686   2.178  0.2301 -0.1736  0.0019
+ 3510TIP3   OH211977   2.087   0.277   1.801  0.3548 -0.0703  0.2486
+ 3510TIP3    H111978   2.177   0.310   1.809  0.1636  0.1147  1.5889
+ 3510TIP3    H211979   2.034   0.355   1.785  0.3545 -0.1294 -0.0574
+ 3511TIP3   OH211980   3.784   1.230   2.189 -0.3945  0.5209 -0.0286
+ 3511TIP3    H111981   3.780   1.320   2.158 -1.7055  0.2208 -0.7752
+ 3511TIP3    H211982   3.729   1.229   2.267 -0.4551  0.3347 -0.0752
+ 3512TIP3   OH211983   5.636   1.462   3.012 -0.1460  0.1073  0.0561
+ 3512TIP3    H111984   5.597   1.523   3.075  1.3913 -1.1822  2.3343
+ 3512TIP3    H211985   5.584   1.382   3.021 -0.8510  0.3876 -1.4120
+ 3513TIP3   OH211986   4.898   6.562   0.114 -0.3331  0.9730 -0.0544
+ 3513TIP3    H111987   4.833   6.603   0.057 -0.5182 -0.3590 -0.8235
+ 3513TIP3    H211988   4.945   6.501   0.056  1.6146  1.9313  0.4698
+ 3514TIP3   OH211989   2.171   0.905   2.374  0.1735 -0.1502  0.0877
+ 3514TIP3    H111990   2.183   0.955   2.292  1.1468 -1.5466 -0.6362
+ 3514TIP3    H211991   2.102   0.953   2.420 -0.9236  0.2619 -1.8855
+ 3515TIP3   OH211992   5.975   1.279   2.714 -0.1053 -0.5914  0.3502
+ 3515TIP3    H111993   5.931   1.292   2.799 -0.2788 -1.0253  0.3278
+ 3515TIP3    H211994   5.909   1.236   2.660  0.1885 -0.8029  0.1619
+ 3516TIP3   OH211995   3.912   1.430   2.566 -0.3510  0.2306  0.0426
+ 3516TIP3    H111996   3.930   1.474   2.483  0.5786 -0.7505 -0.2871
+ 3516TIP3    H211997   3.996   1.394   2.593 -0.5232  1.0779  1.7341
+ 3517TIP3   OH211998   6.070   1.259   1.985  0.1282 -0.1567  0.1289
+ 3517TIP3    H111999   6.130   1.328   1.957  0.8635 -0.9227 -0.2003
+ 3517TIP3    H212000   6.113   1.221   2.062 -0.1353 -0.4326  0.1375
+ 3518TIP3   OH212001   4.037   2.088   2.579 -0.0123  0.1810  0.0543
+ 3518TIP3    H112002   3.970   2.156   2.584 -1.3828 -1.1485  0.0305
+ 3518TIP3    H212003   3.998   2.012   2.622  1.0969 -0.9125 -0.8327
+ 3519TIP3   OH212004   2.397   0.299   2.102 -0.1249 -0.7431 -0.1421
+ 3519TIP3    H112005   2.413   0.365   2.034 -1.2004 -1.3742 -1.0323
+ 3519TIP3    H212006   2.433   0.218   2.065 -1.5805 -1.2890 -0.3766
+ 3520TIP3   OH212007   1.421   1.892   4.041  0.1752  0.2664  0.0479
+ 3520TIP3    H112008   1.328   1.875   4.028  0.1894  0.2807 -0.0709
+ 3520TIP3    H212009   1.427   1.923   4.132 -0.2877  2.8531 -0.7652
+ 3521TIP3   OH212010   0.273   6.661   4.367 -0.1906 -0.6126 -0.5378
+ 3521TIP3    H112011   0.205   6.651   4.433  0.0029  0.8974 -0.0949
+ 3521TIP3    H212012   0.227   6.652   4.284 -1.2515  1.9910 -0.2838
+ 3522TIP3   OH212013   4.086   0.907   1.993 -0.0466 -0.4858  0.3748
+ 3522TIP3    H112014   4.115   0.925   1.904  0.9365  1.0825  0.9832
+ 3522TIP3    H212015   4.166   0.909   2.045 -0.6669 -0.9533  1.3598
+ 3523TIP3   OH212016   4.266   2.008   1.906  0.7392 -0.3182 -0.4550
+ 3523TIP3    H112017   4.264   1.999   2.001  1.1768 -2.5736 -0.6202
+ 3523TIP3    H212018   4.203   2.077   1.886  0.9226  0.4241  1.4841
+ 3524TIP3   OH212019   3.743   0.392   2.322  0.0240 -0.0058 -0.1824
+ 3524TIP3    H112020   3.716   0.402   2.231 -0.1712  0.0854 -0.1152
+ 3524TIP3    H212021   3.764   0.481   2.351 -1.0500  0.1264  0.2124
+ 3525TIP3   OH212022   4.848   1.822   2.733  0.1214  0.3624  0.1666
+ 3525TIP3    H112023   4.763   1.862   2.751  0.1505  0.5171 -0.0415
+ 3525TIP3    H212024   4.828   1.750   2.673  0.2983  1.2081 -0.9202
+ 3526TIP3   OH212025   2.548   6.757   1.794  0.1804  0.0431 -0.0549
+ 3526TIP3    H112026   2.546   6.682   1.735  0.1993 -0.4809  0.6124
+ 3526TIP3    H212027   2.616   6.737   1.858 -0.5956  0.0963  0.8119
+ 3527TIP3   OH212028   5.493   1.675   2.454  0.3901  0.1017  0.2866
+ 3527TIP3    H112029   5.456   1.667   2.542 -0.3972 -0.7652 -0.1253
+ 3527TIP3    H212030   5.417   1.684   2.396  0.8672 -0.4659 -0.4312
+ 3528TIP3   OH212031   4.923   2.543   3.279 -0.3083  0.3666  0.1360
+ 3528TIP3    H112032   4.855   2.476   3.281  0.6758 -0.6326  0.2846
+ 3528TIP3    H212033   5.004   2.497   3.298  0.4938  1.4680 -0.4970
+ 3529TIP3   OH212034   3.448   0.285   3.297  0.2410  0.4804  0.0328
+ 3529TIP3    H112035   3.428   0.364   3.247  0.5551  0.5835  0.0702
+ 3529TIP3    H212036   3.365   0.263   3.341  0.1200  0.7147 -0.0785
+ 3530TIP3   OH212037   5.591   1.674   3.429 -0.4022  0.4096  0.5531
+ 3530TIP3    H112038   5.650   1.664   3.504 -2.1334 -1.1951  1.7395
+ 3530TIP3    H212039   5.514   1.621   3.451 -0.7837 -0.4346 -2.5279
+ 3531TIP3   OH212040   5.912   6.252   0.522 -0.3620  0.2749 -0.3779
+ 3531TIP3    H112041   5.933   6.161   0.501 -1.2708 -0.0702  0.1794
+ 3531TIP3    H212042   5.874   6.249   0.610 -0.7047  1.1471 -0.4868
+ 3532TIP3   OH212043   4.243   1.803   3.244  0.3294  0.0880  0.0003
+ 3532TIP3    H112044   4.290   1.887   3.249  0.5156 -0.0815  1.2655
+ 3532TIP3    H212045   4.189   1.801   3.323 -0.2284 -0.6654 -0.3959
+ 3533TIP3   OH212046   5.416   1.228   3.679 -0.0948 -0.1677  0.5752
+ 3533TIP3    H112047   5.502   1.186   3.688  0.7181  0.9091 -1.7969
+ 3533TIP3    H212048   5.370   1.176   3.614 -0.5022  0.4039  0.3984
+ 3534TIP3   OH212049   2.982   0.458   2.545  0.4090  0.6845 -0.7088
+ 3534TIP3    H112050   2.897   0.501   2.557  0.7323  0.9816  0.5987
+ 3534TIP3    H212051   2.990   0.445   2.451 -2.8531 -2.8833 -0.6389
+ 3535TIP3   OH212052   4.789   1.068   1.427 -0.4463  0.2402 -0.2403
+ 3535TIP3    H112053   4.854   0.999   1.412  0.2487  1.1343 -1.4354
+ 3535TIP3    H212054   4.758   1.091   1.339  0.3339  2.4005  0.0219
+ 3536TIP3   OH212055   4.136   6.478   3.644 -0.2526 -1.2262 -0.0199
+ 3536TIP3    H112056   4.179   6.505   3.562 -0.9517 -0.1755 -0.0573
+ 3536TIP3    H212057   4.200   6.496   3.712  0.1051 -1.5289 -0.2758
+ 3537TIP3   OH212058   5.734   1.594   5.365  0.0806 -0.8876  0.3898
+ 3537TIP3    H112059   5.821   1.623   5.392 -0.1622  0.1605  0.0854
+ 3537TIP3    H212060   5.747   1.555   5.279 -0.0430  1.1303 -0.5786
+ 3538TIP3   OH212061   5.451   0.955   0.670 -0.1210  0.1083  0.0277
+ 3538TIP3    H112062   5.422   0.867   0.647  0.3301  0.4106 -1.7977
+ 3538TIP3    H212063   5.371   0.999   0.700 -0.4808 -0.6927  0.2564
+ 3539TIP3   OH212064   3.777   1.291   0.923  0.0048 -0.3537 -0.2083
+ 3539TIP3    H112065   3.836   1.335   0.862 -0.9777 -1.1027 -1.7369
+ 3539TIP3    H212066   3.810   1.315   1.010  2.2452 -0.3590 -1.0143
+ 3540TIP3   OH212067   2.585   1.339   3.669 -0.5108  0.2314  0.3988
+ 3540TIP3    H112068   2.584   1.345   3.574 -1.2061  0.6775  0.4335
+ 3540TIP3    H212069   2.666   1.292   3.689  0.9737  2.4212 -0.2810
+ 3541TIP3   OH212070   6.242   1.776   3.061  0.3559 -0.5227  0.3203
+ 3541TIP3    H112071   6.203   1.709   3.005 -0.6558  1.2175 -1.0838
+ 3541TIP3    H212072   6.331   1.787   3.027 -0.2810  0.5889 -1.0384
+ 3542TIP3   OH212073   5.943   0.974   2.808  0.7259 -0.0370  0.5816
+ 3542TIP3    H112074   5.978   1.044   2.863  0.2050  1.2349 -0.6897
+ 3542TIP3    H212075   6.013   0.953   2.747  0.3030  0.4962 -0.0853
+ 3543TIP3   OH212076   4.851   1.894   1.923 -0.7601 -0.4736  0.2216
+ 3543TIP3    H112077   4.878   1.851   1.842  1.7618 -0.3636  0.9723
+ 3543TIP3    H212078   4.800   1.827   1.969 -1.2768 -0.8996 -0.9257
+ 3544TIP3   OH212079   6.197   1.461   3.592 -0.2509  0.5080  0.6888
+ 3544TIP3    H112080   6.167   1.541   3.549 -2.3003 -1.2549 -1.3384
+ 3544TIP3    H212081   6.125   1.437   3.650  0.5836  0.4224  1.7019
+ 3545TIP3   OH212082   4.707   6.486   3.456  0.0572  0.0333 -0.5498
+ 3545TIP3    H112083   4.678   6.514   3.369  2.0716  0.9896 -0.9342
+ 3545TIP3    H212084   4.777   6.546   3.478  1.2261 -1.7538  0.6983
+ 3546TIP3   OH212085   3.905   5.975   4.862 -0.1785  0.1993 -0.0127
+ 3546TIP3    H112086   3.836   6.009   4.805  0.8101  1.4551 -0.4940
+ 3546TIP3    H212087   3.931   5.892   4.822 -0.8582  0.1110 -0.2692
+ 3547TIP3   OH212088   3.684   0.165   3.464 -0.5426 -0.1791  0.2434
+ 3547TIP3    H112089   3.673   0.071   3.479 -3.9548  0.0509 -0.4763
+ 3547TIP3    H212090   3.655   0.206   3.545  1.1513  0.3105  0.6387
+ 3548TIP3   OH212091   6.417   0.242   2.839 -0.2459  0.6969 -0.0460
+ 3548TIP3    H112092   6.352   0.244   2.769 -0.0671  1.8252 -0.1792
+ 3548TIP3    H212093   6.442   0.333   2.851  0.4887  0.3870  0.7778
+ 3549TIP3   OH212094   3.926   0.323   1.707  0.4165 -0.8728  0.1934
+ 3549TIP3    H112095   3.832   0.336   1.716  0.4345 -0.6450  0.0511
+ 3549TIP3    H212096   3.953   0.386   1.640  0.8543 -0.1529  1.0203
+ 3550TIP3   OH212097   6.801   0.607   0.493 -0.1170  0.1741  0.0110
+ 3550TIP3    H112098   6.854   0.556   0.554  0.6981 -0.1457 -0.9614
+ 3550TIP3    H212099   6.716   0.564   0.493 -0.6597  1.1925  2.2325
+ 3551TIP3   OH212100   6.385   0.781   3.477  0.2069  0.2271 -0.3571
+ 3551TIP3    H112101   6.468   0.735   3.460 -1.2659 -2.6818  0.0665
+ 3551TIP3    H212102   6.383   0.793   3.572 -0.2648 -0.5291 -0.2680
+ 3552TIP3   OH212103   0.135   1.915   3.950  0.3800 -0.1665 -0.6913
+ 3552TIP3    H112104   0.167   1.850   4.014  2.0163  0.0961 -1.2043
+ 3552TIP3    H212105   0.079   1.864   3.892 -0.4177 -0.5943  0.4275
+ 3553TIP3   OH212106   3.585   6.035   1.557 -0.6623 -0.2153  0.0996
+ 3553TIP3    H112107   3.520   6.091   1.515  0.2462  1.4147  0.7959
+ 3553TIP3    H212108   3.657   6.095   1.579  1.2051 -2.0090 -0.9161
+ 3554TIP3   OH212109   2.012   0.421   2.452 -0.0922  0.8572  0.0027
+ 3554TIP3    H112110   1.966   0.497   2.488 -0.8340 -0.2915  1.4970
+ 3554TIP3    H212111   2.007   0.355   2.521 -0.9669 -1.1640 -1.9567
+ 3555TIP3   OH212112   3.927   2.370   5.067 -0.5753  0.4409 -0.0767
+ 3555TIP3    H112113   3.966   2.430   5.131 -0.3085  0.9908 -0.7427
+ 3555TIP3    H212114   3.990   2.298   5.061  0.0231  0.9952 -0.6368
+ 3556TIP3   OH212115   2.788   1.557   4.569  0.0835  0.3432 -0.4347
+ 3556TIP3    H112116   2.729   1.602   4.508 -0.9719  0.0857  0.3907
+ 3556TIP3    H212117   2.759   1.466   4.568  1.6880 -0.1677 -1.4630
+ 3557TIP3   OH212118   5.547   2.101   1.845 -0.0784 -0.2342 -0.2151
+ 3557TIP3    H112119   5.539   2.025   1.787 -0.9850 -0.4013  0.1194
+ 3557TIP3    H212120   5.457   2.121   1.870  0.2263  0.4694  0.3260
+ 3558TIP3   OH212121   3.110   1.132   4.379  0.3697  0.1123  0.0172
+ 3558TIP3    H112122   3.036   1.105   4.434  0.0743  0.2039 -0.3304
+ 3558TIP3    H212123   3.187   1.100   4.425  0.2086  1.3474  1.1762
+ 3559TIP3   OH212124   5.988   1.798   6.733 -0.0991 -0.7811  0.3968
+ 3559TIP3    H112125   5.940   1.776   6.653  0.2691  0.4721 -0.1882
+ 3559TIP3    H212126   6.080   1.796   6.707  0.0304 -0.5439  0.8268
+ 3560TIP3   OH212127   2.558   1.713   2.842  0.0761 -0.1721  0.2478
+ 3560TIP3    H112128   2.593   1.633   2.804 -1.3832 -0.9493  0.4978
+ 3560TIP3    H212129   2.464   1.696   2.853 -0.3348  1.7091 -0.0663
+ 3561TIP3   OH212130   5.012   0.638   6.469  0.5420 -0.5664 -0.8652
+ 3561TIP3    H112131   4.932   0.621   6.420  0.1132 -1.2573  0.0619
+ 3561TIP3    H212132   5.007   0.731   6.492 -1.3418 -1.2059  1.5421
+ 3562TIP3   OH212133   4.362   5.971   5.442  0.0608 -0.0071  0.5798
+ 3562TIP3    H112134   4.393   5.975   5.352  0.6777 -0.1824  0.7780
+ 3562TIP3    H212135   4.441   5.982   5.495 -0.0259 -1.7531  1.1049
+ 3563TIP3   OH212136   6.880   2.117   1.300 -0.2439  0.0781 -0.6901
+ 3563TIP3    H112137   6.951   2.070   1.343  0.4408  0.7055 -1.1265
+ 3563TIP3    H212138   6.806   2.056   1.301  0.0761 -0.2913  0.4458
+ 3564TIP3   OH212139   6.201   2.961   2.727 -0.0298 -0.2579 -0.4222
+ 3564TIP3    H112140   6.265   2.937   2.794 -0.8964  0.7111  0.7888
+ 3564TIP3    H212141   6.237   2.926   2.645 -0.1132 -3.5656  0.8800
+ 3565TIP3   OH212142   3.193   0.575   2.896 -0.3113  0.1973 -0.1000
+ 3565TIP3    H112143   3.231   0.636   2.959 -1.1196  0.8869 -0.2758
+ 3565TIP3    H212144   3.212   0.613   2.810  0.6609 -0.6675 -0.2914
+ 3566TIP3   OH212145   0.904   0.906   4.420  0.3222 -0.1693 -0.4574
+ 3566TIP3    H112146   0.883   0.997   4.438  3.9533  0.7563 -0.6483
+ 3566TIP3    H212147   0.890   0.896   4.326  1.8527  0.7504 -0.7923
+ 3567TIP3   OH212148   5.499   1.951   1.237 -0.2147  0.2913  0.3759
+ 3567TIP3    H112149   5.503   2.035   1.283  0.6499  0.0462  0.7497
+ 3567TIP3    H212150   5.576   1.951   1.180 -2.3019  1.4379 -2.5671
+ 3568TIP3   OH212151   3.098   0.813   1.977  0.2190 -0.0733  0.3734
+ 3568TIP3    H112152   3.190   0.790   1.962  0.0913  0.3286 -1.0544
+ 3568TIP3    H212153   3.097   0.909   1.972  0.1545  0.0902  2.8962
+ 3569TIP3   OH212154   3.413   0.750   3.763  0.3482 -0.2677  0.7847
+ 3569TIP3    H112155   3.498   0.714   3.738 -0.2542 -1.5994  0.6009
+ 3569TIP3    H212156   3.361   0.674   3.787 -1.6435  0.2599 -1.6351
+ 3570TIP3   OH212157   5.023   0.309   2.982 -0.2193  0.3183  0.3570
+ 3570TIP3    H112158   4.931   0.307   2.955  0.1932  0.0035 -1.0954
+ 3570TIP3    H212159   5.053   0.396   2.955  0.1106  0.1274  0.1104
+ 3571TIP3   OH212160   2.849   0.368   2.203 -0.6693  0.4558  0.1875
+ 3571TIP3    H112161   2.929   0.399   2.160 -0.8561 -0.5574 -0.9283
+ 3571TIP3    H212162   2.801   0.448   2.225  0.3118  1.0489  0.2268
+ 3572TIP3   OH212163   4.412   1.244   2.537 -0.7927 -0.6752  0.9082
+ 3572TIP3    H112164   4.384   1.272   2.624  0.1660  0.8347  0.7538
+ 3572TIP3    H212165   4.352   1.287   2.477 -1.0872 -1.2419  0.7982
+ 3573TIP3   OH212166   1.870   0.968   5.348 -0.6459 -0.4048  0.4412
+ 3573TIP3    H112167   1.848   0.947   5.257 -1.5246 -0.7640  0.7317
+ 3573TIP3    H212168   1.949   1.021   5.342 -0.8040 -0.2727 -0.5452
+ 3574TIP3   OH212169   5.041   0.192   3.968  0.4281  0.3389 -0.2495
+ 3574TIP3    H112170   4.975   0.174   3.901 -0.3435 -1.4780  0.9495
+ 3574TIP3    H212171   5.071   0.281   3.950 -2.7178  1.4120 -0.5044
+ 3575TIP3   OH212172   4.662   0.182   4.395  0.0553 -0.3400 -0.1682
+ 3575TIP3    H112173   4.617   0.241   4.455  0.5066 -0.7567  0.5954
+ 3575TIP3    H212174   4.748   0.168   4.435  1.1534  1.0482 -1.9906
+ 3576TIP3   OH212175   3.312   6.457   3.646  0.0640  0.3660 -0.4461
+ 3576TIP3    H112176   3.275   6.369   3.653 -1.8635  1.1015 -1.2334
+ 3576TIP3    H212177   3.311   6.477   3.553  2.0686  0.5744 -0.4344
+ 3577TIP3   OH212178   3.882   0.467   1.068  0.7745  0.3500 -0.1067
+ 3577TIP3    H112179   3.895   0.439   0.978  2.1847  0.5803  0.0144
+ 3577TIP3    H212180   3.807   0.415   1.099  2.8880 -2.7722 -0.0828
+ 3578TIP3   OH212181   4.134   0.336   1.100  0.2627  0.2486  0.3902
+ 3578TIP3    H112182   4.145   0.324   1.006 -1.5866  1.4880 -0.0188
+ 3578TIP3    H212183   4.063   0.400   1.108  1.2834  1.1573  2.6162
+ 3579TIP3   OH212184   4.304   0.467   3.104 -0.5816  0.6999  0.8417
+ 3579TIP3    H112185   4.267   0.522   3.035  0.8950 -0.3878 -0.8591
+ 3579TIP3    H212186   4.233   0.407   3.127 -0.9514  0.7905 -0.0421
+ 3580TIP3   OH212187   4.211   6.174   3.776 -0.1048 -0.4348 -0.2452
+ 3580TIP3    H112188   4.229   6.249   3.720 -0.8432 -0.4360 -0.4969
+ 3580TIP3    H212189   4.116   6.165   3.773 -0.1290 -0.5908  0.8048
+ 3581TIP3   OH212190   3.267   1.405   3.473 -0.4394  0.5483  0.0440
+ 3581TIP3    H112191   3.230   1.465   3.409  0.7204  0.7844 -0.4291
+ 3581TIP3    H212192   3.351   1.445   3.497  0.1037 -0.6181  0.1104
+ 3582TIP3   OH212193   5.292   3.250   0.197 -0.3321 -0.2528 -0.3016
+ 3582TIP3    H112194   5.309   3.276   0.288 -1.4697  0.8955 -0.3895
+ 3582TIP3    H212195   5.334   3.165   0.188  0.3566 -0.0851  1.1152
+ 3583TIP3   OH212196   4.523   0.110   1.923 -0.2049 -0.6377  0.9584
+ 3583TIP3    H112197   4.454   0.162   1.883  1.5665  0.4549 -0.7566
+ 3583TIP3    H212198   4.504   0.020   1.897 -0.3900 -0.2159 -0.3972
+ 3584TIP3   OH212199   4.634   1.706   4.390  0.5014 -0.2028  0.1196
+ 3584TIP3    H112200   4.681   1.642   4.442  2.9861  1.0743 -0.4753
+ 3584TIP3    H212201   4.622   1.781   4.449  0.4856  0.0130 -0.1539
+ 3585TIP3   OH212202   4.527   1.121   4.628 -0.5753  0.4463 -0.2742
+ 3585TIP3    H112203   4.562   1.117   4.717  3.3633  0.2145 -1.7295
+ 3585TIP3    H212204   4.508   1.213   4.613  0.8812  0.8105  0.0572
+ 3586TIP3   OH212205   5.194   2.556   1.829 -0.1036  0.4192  0.1308
+ 3586TIP3    H112206   5.239   2.497   1.768  0.1760  0.5879  0.1703
+ 3586TIP3    H212207   5.248   2.554   1.908 -0.3464  0.3716  0.2957
+ 3587TIP3   OH212208   2.459   1.392   3.404 -0.4673  0.3500  0.0317
+ 3587TIP3    H112209   2.418   1.451   3.341  1.9195 -0.6328 -2.5021
+ 3587TIP3    H212210   2.466   1.309   3.358  1.7593 -0.2710  1.4340
+ 3588TIP3   OH212211   6.080   1.218   3.977  0.1204  0.0243 -0.2021
+ 3588TIP3    H112212   6.052   1.292   3.923  0.4607  0.4386  0.1845
+ 3588TIP3    H212213   6.038   1.234   4.062  1.0470  0.3440  0.2032
+ 3589TIP3   OH212214   4.034   5.091   2.223 -0.1448  0.2301  0.1306
+ 3589TIP3    H112215   4.018   4.999   2.248 -2.0752  0.6409  0.5359
+ 3589TIP3    H212216   3.946   5.126   2.207  0.4863  2.3885  1.3014
+ 3590TIP3   OH212217   5.914   0.047   4.186  0.4882 -0.0928 -0.2383
+ 3590TIP3    H112218   5.923   0.134   4.225 -1.8497 -0.0280  0.1801
+ 3590TIP3    H212219   5.907  -0.012   4.261 -1.6518 -0.2301 -0.5284
+ 3591TIP3   OH212220   5.590   2.051   2.946 -0.0509  0.3526  0.3235
+ 3591TIP3    H112221   5.566   1.961   2.970 -1.6709  0.8666  0.6830
+ 3591TIP3    H212222   5.651   2.040   2.873  1.2954 -1.0929  1.6132
+ 3592TIP3   OH212223   5.526   2.099   4.008  0.1838  0.5298 -0.4352
+ 3592TIP3    H112224   5.574   2.042   3.948  1.4168  1.7584 -0.6580
+ 3592TIP3    H212225   5.520   2.049   4.089 -0.3639 -0.6323 -1.1763
+ 3593TIP3   OH212226   5.961   0.281   1.738 -0.5494 -0.2726  0.4709
+ 3593TIP3    H112227   5.996   0.333   1.811  0.8533 -2.4045  1.3756
+ 3593TIP3    H212228   5.867   0.301   1.738  0.3196  4.3817 -1.0326
+ 3594TIP3   OH212229   5.134   0.421   1.562  0.1799  0.3705  0.2449
+ 3594TIP3    H112230   5.129   0.342   1.509  0.0383  1.1470 -0.9256
+ 3594TIP3    H212231   5.047   0.431   1.600  0.0644  0.2078  0.0234
+ 3595TIP3   OH212232   0.320   2.178   2.793 -0.0937  0.3964 -0.6605
+ 3595TIP3    H112233   0.362   2.092   2.791  0.5856  0.7381 -1.1984
+ 3595TIP3    H212234   0.379   2.235   2.744  0.1516  1.4903  0.8512
+ 3596TIP3   OH212235   3.609   1.258   2.427  0.2295  0.1133  0.7665
+ 3596TIP3    H112236   3.680   1.322   2.428 -0.4497  1.0461 -2.7189
+ 3596TIP3    H212237   3.531   1.308   2.450 -0.0793  0.2530 -0.5450
+ 3597TIP3   OH212238   3.809   1.162   4.333 -0.5723 -0.0789  0.0232
+ 3597TIP3    H112239   3.838   1.238   4.283 -0.3024 -0.6709 -0.7446
+ 3597TIP3    H212240   3.716   1.177   4.347 -0.4303  0.5913  0.2304
+ 3598TIP3   OH212241   5.832   1.802   3.005  0.0658 -0.1223 -0.0961
+ 3598TIP3    H112242   5.891   1.745   2.957  0.8227 -0.8802  1.6725
+ 3598TIP3    H212243   5.804   1.869   2.942  3.7145  0.9279 -0.6779
+ 3599TIP3   OH212244   3.603   1.540   0.922  0.3521  1.0788 -0.6477
+ 3599TIP3    H112245   3.624   1.449   0.942 -0.4821  0.9035 -0.5803
+ 3599TIP3    H212246   3.548   1.570   0.994  0.7553  1.6892 -0.5851
+ 3600TIP3   OH212247   4.464   1.299   3.827 -0.1804 -0.7530 -0.3268
+ 3600TIP3    H112248   4.530   1.230   3.828 -1.6489 -2.2132 -1.5582
+ 3600TIP3    H212249   4.421   1.291   3.912 -1.2607 -2.2998 -0.9895
+ 3601TIP3   OH212250   5.513   2.688   2.503 -0.2396 -0.3442 -0.6527
+ 3601TIP3    H112251   5.556   2.606   2.527 -0.1343 -0.3906 -0.9946
+ 3601TIP3    H212252   5.429   2.684   2.548 -0.5212 -0.9578 -1.2137
+ 3602TIP3   OH212253   4.693   0.196   2.402 -0.0015 -0.1657 -0.4251
+ 3602TIP3    H112254   4.725   0.108   2.417 -1.8600 -0.6859  0.6828
+ 3602TIP3    H212255   4.766   0.253   2.426  0.3332 -1.3304  1.3990
+ 3603TIP3   OH212256   5.060   6.691   1.278  0.3540  0.5568  0.9656
+ 3603TIP3    H112257   5.059   6.667   1.371 -0.0841  0.4140  0.9238
+ 3603TIP3    H212258   5.128   6.636   1.240  0.0283  0.0849  1.0626
+ 3604TIP3   OH212259   6.358   0.695   6.101  0.2162 -0.4797 -0.2790
+ 3604TIP3    H112260   6.328   0.784   6.120  2.0681 -0.0205  0.6552
+ 3604TIP3    H212261   6.363   0.652   6.187 -0.8848 -1.5722 -0.7465
+ 3605TIP3   OH212262   4.108   0.270   3.182 -0.3909 -0.0635 -0.0059
+ 3605TIP3    H112263   4.074   0.296   3.267  1.0669  1.6608  0.0759
+ 3605TIP3    H212264   4.184   0.216   3.201 -0.2387  0.0760 -0.2133
+ 3606TIP3   OH212265   2.717   6.789   2.047 -0.0293  0.1095 -1.0347
+ 3606TIP3    H112266   2.651   6.848   2.084  0.6543  0.9313 -1.1042
+ 3606TIP3    H212267   2.801   6.824   2.077  0.4508 -0.1675 -2.0100
+ 3607TIP3   OH212268   4.241   1.106   4.571 -0.3255 -0.1317  0.4762
+ 3607TIP3    H112269   4.333   1.097   4.595  0.4073  1.3031 -1.6637
+ 3607TIP3    H212270   4.210   1.180   4.622  0.1791  0.4571 -0.0611
+ 3608TIP3   OH212271   5.116   1.341   2.632 -0.1814 -0.3840 -0.0219
+ 3608TIP3    H112272   5.184   1.405   2.610  0.1336 -0.9484 -0.7429
+ 3608TIP3    H212273   5.059   1.339   2.554 -1.6048  0.8124  0.9636
+ 3609TIP3   OH212274   5.933   2.302   0.085 -0.3566  0.1480  0.1931
+ 3609TIP3    H112275   6.027   2.305   0.097 -0.3574 -0.7860  0.4594
+ 3609TIP3    H212276   5.914   2.210   0.066 -1.2286  0.3026  0.2950
+ 3610TIP3   OH212277   4.459   2.811   2.484 -0.3023  0.3369  0.4800
+ 3610TIP3    H112278   4.389   2.747   2.498 -0.7827  0.3924 -1.4834
+ 3610TIP3    H212279   4.516   2.802   2.560 -1.9939 -0.3013  1.6949
+ 3611TIP3   OH212280   2.541   0.181   1.090  0.3933 -0.1197 -0.1350
+ 3611TIP3    H112281   2.476   0.185   1.019  0.3964 -0.9950 -0.1973
+ 3611TIP3    H212282   2.603   0.114   1.061  2.5641  2.2223 -1.1023
+ 3612TIP3   OH212283   3.755   1.675   3.003 -0.0586 -0.3847  0.3104
+ 3612TIP3    H112284   3.680   1.650   2.949  1.0371 -0.1745 -1.3411
+ 3612TIP3    H212285   3.828   1.622   2.970  1.0137  0.9753  0.4526
+ 3613TIP3   OH212286   0.501   2.491   2.075  0.0021  0.9054  0.5442
+ 3613TIP3    H112287   0.514   2.568   2.020  1.1520  0.2742 -0.0943
+ 3613TIP3    H212288   0.584   2.480   2.121  0.0083 -0.2124  0.2801
+ 3614TIP3   OH212289   5.352   2.716   4.019  0.2952  0.1793  0.3177
+ 3614TIP3    H112290   5.425   2.687   4.074 -0.0469 -0.8986  0.2177
+ 3614TIP3    H212291   5.331   2.804   4.050  1.1280  0.1841  0.8636
+ 3615TIP3   OH212292   4.624   1.185   3.334 -0.2531 -0.4610 -0.3464
+ 3615TIP3    H112293   4.572   1.264   3.347 -1.6380 -1.4991  0.5994
+ 3615TIP3    H212294   4.578   1.136   3.266  0.1621 -0.8224 -0.3740
+ 3616TIP3   OH212295   4.330   1.722   3.568  0.5998 -0.7501 -0.0876
+ 3616TIP3    H112296   4.259   1.745   3.508  1.0910  2.3712  0.4138
+ 3616TIP3    H212297   4.313   1.631   3.592 -1.2572 -1.1459 -2.6401
+ 3617TIP3   OH212298   4.045   2.014   5.147 -0.1244 -0.1073 -0.1014
+ 3617TIP3    H112299   4.106   2.010   5.221 -0.4704 -3.0480  0.0838
+ 3617TIP3    H212300   3.961   2.036   5.186 -0.0086 -0.1129  0.1555
+ 3618TIP3   OH212301   5.974   1.652   2.396 -0.4070  0.2422 -0.6017
+ 3618TIP3    H112302   5.948   1.630   2.485  0.1369 -2.8692 -1.1590
+ 3618TIP3    H212303   6.066   1.627   2.391 -0.5894 -0.1567 -2.1921
+ 3619TIP3   OH212304   5.281   1.307   3.418  0.1138  0.1479 -0.1991
+ 3619TIP3    H112305   5.311   1.398   3.423  0.4112  0.0147  0.5592
+ 3619TIP3    H212306   5.246   1.298   3.329 -1.3364  1.4283  0.2277
+ 3620TIP3   OH212307   3.055   2.146   2.551 -0.5442 -0.1218  0.0276
+ 3620TIP3    H112308   3.030   2.125   2.461 -0.2890 -1.2780  0.2184
+ 3620TIP3    H212309   3.147   2.124   2.556 -0.5004  0.1587  0.5190
+ 3621TIP3   OH212310   6.683   6.576   4.334  0.4037 -0.3622 -0.3813
+ 3621TIP3    H112311   6.601   6.625   4.327 -0.3852 -1.7671 -0.9988
+ 3621TIP3    H212312   6.727   6.589   4.250  0.5889 -0.0412 -0.2382
+ 3622TIP3   OH212313   3.357   0.771   0.839  0.1241  0.4896 -0.0451
+ 3622TIP3    H112314   3.320   0.739   0.756  0.9978  0.5624 -0.4747
+ 3622TIP3    H212315   3.288   0.757   0.903  0.2628 -1.7300 -0.3343
+ 3623TIP3   OH212316   3.203   0.730   2.640  0.2196 -0.4586  0.0563
+ 3623TIP3    H112317   3.158   0.812   2.621  0.6168  0.0736  1.3670
+ 3623TIP3    H212318   3.202   0.682   2.557 -0.5412  0.6096 -0.5620
+ 3624TIP3   OH212319   0.091   0.530   4.471  0.4143 -0.1735 -0.3493
+ 3624TIP3    H112320   0.178   0.570   4.473 -0.1052  1.2158 -2.7589
+ 3624TIP3    H212321   0.047   0.575   4.398 -2.1642 -1.1507  0.5850
+ 3625TIP3   OH212322   3.578   5.907   3.116  0.2049  0.9410 -0.0019
+ 3625TIP3    H112323   3.633   5.908   3.194  0.9715  1.1322 -0.5357
+ 3625TIP3    H212324   3.559   6.000   3.100 -1.7478  0.7670  1.1992
+ 3626TIP3   OH212325   4.552   6.477   2.770  0.2404 -0.2316 -0.0009
+ 3626TIP3    H112326   4.638   6.482   2.728 -1.2185 -0.5979 -3.1640
+ 3626TIP3    H212327   4.557   6.400   2.826  1.5424 -1.0586 -1.2046
+ 3627TIP3   OH212328   3.246   0.604   1.782 -0.0056 -0.1048  0.2331
+ 3627TIP3    H112329   3.304   0.676   1.807  0.8882 -0.8113  0.2316
+ 3627TIP3    H212330   3.163   0.624   1.824  0.1587  1.0586  0.0242
+ 3628TIP3   OH212331   3.974   0.425   3.407  0.1326  0.0884 -0.4658
+ 3628TIP3    H112332   3.971   0.405   3.501  0.9549 -1.8896 -0.8242
+ 3628TIP3    H212333   3.883   0.419   3.378 -0.1723  1.0771  0.2696
+ 3629TIP3   OH212334   4.695   0.595   0.649  0.4782  0.4116 -0.3856
+ 3629TIP3    H112335   4.684   0.529   0.717  0.3652  0.9371  0.1133
+ 3629TIP3    H212336   4.685   0.547   0.567  1.3328 -0.3615 -0.0501
+ 3630TIP3   OH212337   5.300   0.754   0.581  0.0923  0.1288 -0.4646
+ 3630TIP3    H112338   5.254   0.681   0.620  0.3707 -0.6959 -1.6308
+ 3630TIP3    H212339   5.243   0.784   0.510  1.2347 -0.7950 -1.8112
+ 3631TIP3   OH212340   4.257   4.993   1.024 -0.0164 -0.2562 -0.9588
+ 3631TIP3    H112341   4.333   5.008   1.080 -0.5099 -1.1547 -0.0375
+ 3631TIP3    H212342   4.196   4.942   1.078 -1.3673  0.6298 -1.5983
+ 3632TIP3   OH212343   5.528   1.020   2.052  0.1098  0.0746  0.3029
+ 3632TIP3    H112344   5.457   1.082   2.070  0.1102  0.4295 -0.8542
+ 3632TIP3    H212345   5.548   0.981   2.137 -2.7168 -1.3439  0.4066
+ 3633TIP3   OH212346   6.867   0.494   4.904 -0.0220 -0.3507  0.4018
+ 3633TIP3    H112347   6.871   0.434   4.979  0.9906 -0.2700  0.4236
+ 3633TIP3    H212348   6.926   0.565   4.927 -0.5251  0.2095 -0.0205
+ 3634TIP3   OH212349   4.338   1.329   1.704 -0.1588 -0.5499 -0.1062
+ 3634TIP3    H112350   4.307   1.294   1.621 -0.6684  0.0312 -0.1662
+ 3634TIP3    H212351   4.385   1.409   1.680 -1.0171  0.0609  0.2376
+ 3635TIP3   OH212352   3.013   0.201   4.439  0.3670  0.7533 -0.5274
+ 3635TIP3    H112353   3.042   0.236   4.523  0.5005  1.5327 -0.8975
+ 3635TIP3    H212354   3.086   0.217   4.379  0.8700 -1.1475 -0.4435
+ 3636TIP3   OH212355   2.909   1.512   1.122 -0.1383  0.1911 -0.2655
+ 3636TIP3    H112356   2.857   1.456   1.179  2.8415 -1.0758  1.3298
+ 3636TIP3    H212357   2.898   1.600   1.158 -2.1789  0.1575 -0.7564
+ 3637TIP3   OH212358   6.764   1.865   3.522 -0.2583 -0.3479  0.0131
+ 3637TIP3    H112359   6.752   1.803   3.450 -1.7887  1.3049 -1.1906
+ 3637TIP3    H212360   6.678   1.871   3.563  0.0857  0.3642  0.6327
+ 3638TIP3   OH212361   1.558   0.324   2.205  0.2292  0.7720  0.6251
+ 3638TIP3    H112362   1.603   0.275   2.274 -1.0960  1.5207  2.0687
+ 3638TIP3    H212363   1.465   0.306   2.219 -0.1174  1.7365 -0.3383
+ 3639TIP3   OH212364   6.571   2.565   2.288 -0.1476  0.9302  0.0300
+ 3639TIP3    H112365   6.636   2.497   2.270  0.3827  0.6939  2.6504
+ 3639TIP3    H212366   6.487   2.518   2.291 -0.0821  0.7747 -0.4922
+ 3640TIP3   OH212367   0.541   6.669   5.082 -0.0281 -0.0386 -0.0890
+ 3640TIP3    H112368   0.547   6.620   5.165 -1.5364  1.5960  1.0230
+ 3640TIP3    H212369   0.484   6.615   5.027 -0.9499 -0.0129  0.8066
+ 3641TIP3   OH212370   1.751   0.281   4.664  0.3431  0.1654  0.0886
+ 3641TIP3    H112371   1.710   0.203   4.626  0.4122  0.0134  0.3233
+ 3641TIP3    H212372   1.844   0.261   4.667  0.5045  0.7466 -0.9878
+ 3642TIP3   OH212373   4.915   6.159   1.993 -0.1032  0.4916  0.4833
+ 3642TIP3    H112374   4.902   6.225   1.925  1.7610  1.4196  0.9866
+ 3642TIP3    H212375   5.004   6.175   2.025 -0.3509 -1.0042  1.9920
+ 3643TIP3   OH212376   3.455   1.921   4.190 -0.8180 -0.1226 -0.2756
+ 3643TIP3    H112377   3.370   1.931   4.147 -0.5301  0.2453 -0.7663
+ 3643TIP3    H212378   3.463   1.827   4.208 -0.0769 -0.5898 -2.8306
+ 3644TIP3   OH212379   6.729   0.883   2.684 -0.3508 -0.7596  0.3545
+ 3644TIP3    H112380   6.744   0.791   2.664 -1.7061 -1.2121  1.3291
+ 3644TIP3    H212381   6.689   0.918   2.604 -0.1147 -1.0875  0.0916
+ 3645TIP3   OH212382   0.287   2.110   3.662  0.2704 -0.4249  0.1321
+ 3645TIP3    H112383   0.205   2.073   3.629  0.0006  0.8586 -0.6908
+ 3645TIP3    H212384   0.260   2.177   3.725  0.7400 -1.3600  1.3380
+ 3646TIP3   OH212385   1.672   1.963   0.739 -0.0161  0.0736 -0.6254
+ 3646TIP3    H112386   1.723   1.883   0.751  0.5114  0.3631 -0.9399
+ 3646TIP3    H212387   1.589   1.933   0.702  0.0220 -0.3668 -0.3619
+ 3647TIP3   OH212388   6.362   0.280   2.188 -0.0960 -0.1900  0.0694
+ 3647TIP3    H112389   6.319   0.195   2.190 -1.2574  0.4026  0.5513
+ 3647TIP3    H212390   6.379   0.301   2.280  0.1466  0.1260 -0.0433
+ 3648TIP3   OH212391   5.979   1.140   3.661 -0.6041 -0.1104 -0.0062
+ 3648TIP3    H112392   6.010   1.208   3.721  0.0445  0.5735 -1.0955
+ 3648TIP3    H212393   5.902   1.178   3.619  0.0160  0.1446 -0.9383
+ 3649TIP3   OH212394   2.677   0.753   1.270  0.0241 -0.4574 -0.3127
+ 3649TIP3    H112395   2.686   0.692   1.343 -1.5265 -0.2371  0.0701
+ 3649TIP3    H212396   2.583   0.758   1.254  0.0474  2.3673  0.1292
+ 3650TIP3   OH212397   5.146   6.705   5.051 -0.0695  0.4266 -0.0883
+ 3650TIP3    H112398   5.078   6.704   4.985 -1.0486  0.2652  0.9048
+ 3650TIP3    H212399   5.107   6.751   5.125  1.2782  1.2987  0.0984
+ 3651TIP3   OH212400   4.795   0.338   3.405 -0.5951 -0.1099  0.2027
+ 3651TIP3    H112401   4.741   0.380   3.338  0.5211  0.1666 -0.5410
+ 3651TIP3    H212402   4.817   0.252   3.369 -1.8027 -0.8277  1.1647
+ 3652TIP3   OH212403   5.538   6.847   4.174 -0.3606  0.2445  0.2628
+ 3652TIP3    H112404   5.536   6.751   4.173  1.2607  0.2046 -0.5884
+ 3652TIP3    H212405   5.556   6.870   4.265 -2.0600 -0.2013  0.7392
+ 3653TIP3   OH212406   4.682   6.138   3.765 -0.8366  0.4421  0.0493
+ 3653TIP3    H112407   4.707   6.193   3.690 -0.6500 -1.5970 -1.4226
+ 3653TIP3    H212408   4.608   6.087   3.733 -0.5903 -0.6474  1.1853
+ 3654TIP3   OH212409   5.187   6.521   2.360  0.5727  0.0528 -0.5056
+ 3654TIP3    H112410   5.156   6.433   2.382  0.4942 -0.1791 -1.5085
+ 3654TIP3    H212411   5.163   6.574   2.435  1.1409 -0.8995  0.3683
+ 3655TIP3   OH212412   5.165   0.099   2.887  0.5178 -0.1165  0.2037
+ 3655TIP3    H112413   5.177   0.108   2.792  0.6027 -0.3717  0.1911
+ 3655TIP3    H212414   5.113   0.175   2.911 -0.8923 -0.9048 -0.3039
+ 3656TIP3   OH212415   6.864   6.854   2.638  0.3481  0.5173 -0.5483
+ 3656TIP3    H112416   6.956   6.844   2.616  0.3830  3.0408 -1.7006
+ 3656TIP3    H212417   6.825   6.892   2.560 -1.9242 -1.5499 -0.4864
+ 3657TIP3   OH212418   5.870   2.240   0.987  0.3727  0.5721  0.1615
+ 3657TIP3    H112419   5.931   2.211   0.920 -1.3154  0.3367 -1.2972
+ 3657TIP3    H212420   5.875   2.335   0.985 -0.7882  0.6114 -1.3588
+ 3658TIP3   OH212421   2.035   1.764   1.398 -0.1107  0.5299  0.3702
+ 3658TIP3    H112422   2.123   1.729   1.388 -0.4908 -0.1853 -0.5091
+ 3658TIP3    H212423   1.981   1.688   1.421 -0.7817  0.6876 -0.6413
+ 3659TIP3   OH212424   5.681   0.394   3.417  0.8148 -0.3801  0.5127
+ 3659TIP3    H112425   5.771   0.409   3.387  0.5337 -0.0489 -0.1848
+ 3659TIP3    H212426   5.634   0.367   3.337  0.2382 -0.2987  0.8250
+ 3660TIP3   OH212427   5.600   3.026   3.301 -0.3971  0.3067  0.1780
+ 3660TIP3    H112428   5.573   2.939   3.331 -0.2024  0.1939  0.0313
+ 3660TIP3    H212429   5.686   3.040   3.341 -0.4040  0.4071  0.1579
+ 3661TIP3   OH212430   6.416   5.692   1.694  0.0039 -0.1853 -0.3361
+ 3661TIP3    H112431   6.462   5.633   1.634 -1.0595 -2.1599  0.7435
+ 3661TIP3    H212432   6.383   5.762   1.638  1.5701 -0.4278 -1.5960
+ 3662TIP3   OH212433   0.650   0.642   3.753  0.0286 -0.2672 -0.1953
+ 3662TIP3    H112434   0.602   0.710   3.801  1.0077 -0.4159  1.0326
+ 3662TIP3    H212435   0.625   0.655   3.662 -2.1681 -0.2057  0.3854
+ 3663TIP3   OH212436   5.366   0.148   3.406 -0.2060 -0.2593 -0.2246
+ 3663TIP3    H112437   5.425   0.074   3.394  1.3405  0.9124 -0.0604
+ 3663TIP3    H212438   5.322   0.157   3.321 -1.1122 -1.9552  0.0666
+ 3664TIP3   OH212439   5.943   5.558   3.031  0.1284  0.1563 -0.1812
+ 3664TIP3    H112440   5.992   5.570   3.111 -1.8874  1.0992  0.9480
+ 3664TIP3    H212441   5.908   5.469   3.037 -1.5354  0.8491  0.8913
+ 3665TIP3   OH212442   3.417   2.689   2.101 -0.3561  0.2614 -0.4408
+ 3665TIP3    H112443   3.332   2.655   2.128  0.5867 -2.2272 -0.5299
+ 3665TIP3    H212444   3.448   2.628   2.035  1.9101  0.6403  0.2354
+ 3666TIP3   OH212445   4.839   0.562   3.747  0.7295  0.2434 -0.5790
+ 3666TIP3    H112446   4.763   0.534   3.696 -0.5577 -0.0170  1.4618
+ 3666TIP3    H212447   4.823   0.655   3.765  1.0539  0.2701 -0.4125
+ 3667TIP3   OH212448   5.839   6.295   1.957  0.2437  0.4103  0.0346
+ 3667TIP3    H112449   5.821   6.374   2.009  1.2370 -0.7185  2.1818
+ 3667TIP3    H212450   5.865   6.328   1.871 -0.3462  2.3865  0.5913
+ 3668TIP3   OH212451   5.543   6.828   3.476  0.0458 -0.2819 -0.0929
+ 3668TIP3    H112452   5.525   6.861   3.564  1.2599 -1.2443  0.5377
+ 3668TIP3    H212453   5.636   6.805   3.478  0.2600  0.3959 -1.8679
+ 3669TIP3   OH212454   6.572   1.456   3.859 -0.2502  0.0832 -0.5815
+ 3669TIP3    H112455   6.612   1.506   3.789 -1.7513 -0.4482 -1.8342
+ 3669TIP3    H212456   6.569   1.366   3.826 -1.2047 -0.1232  0.0358
+ 3670TIP3   OH212457   6.376   1.774   2.622  0.3358 -0.0527 -0.2163
+ 3670TIP3    H112458   6.410   1.857   2.655 -0.8408  0.3694 -0.0346
+ 3670TIP3    H212459   6.357   1.791   2.530  0.8041 -0.3403 -0.3641
+ 3671TIP3   OH212460   0.202   1.901   1.390 -0.1610  0.2876 -0.2868
+ 3671TIP3    H112461   0.147   1.877   1.465  0.3865 -1.2631 -0.3629
+ 3671TIP3    H212462   0.263   1.828   1.381  0.5977  1.0562 -1.4651
+ 3672TIP3   OH212463   5.665   0.304   5.836 -0.5670  0.2181  0.2894
+ 3672TIP3    H112464   5.698   0.342   5.917  1.0988  3.9915 -2.0265
+ 3672TIP3    H212465   5.573   0.331   5.832 -0.9369 -0.8472  1.3794
+ 3673TIP3   OH212466   6.205   0.503   2.021  0.4237 -0.4471 -0.0139
+ 3673TIP3    H112467   6.265   0.466   2.086 -0.6622 -1.6601  0.2922
+ 3673TIP3    H212468   6.259   0.510   1.941  0.9570 -1.5896  0.2370
+ 3674TIP3   OH212469   0.045   5.274   3.634 -0.1151  0.6209 -0.1931
+ 3674TIP3    H112470   0.109   5.223   3.683 -0.2595  0.6039 -0.0239
+ 3674TIP3    H212471  -0.019   5.302   3.699  0.1457  1.2985 -0.2281
+ 3675TIP3   OH212472   4.412   0.808   3.811  0.1914 -0.1999 -0.0625
+ 3675TIP3    H112473   4.410   0.801   3.716 -1.2178  0.2554 -0.0776
+ 3675TIP3    H212474   4.505   0.802   3.834  0.7310  1.7391 -1.6257
+ 3676TIP3   OH212475   6.475   6.758   2.340 -0.1543 -0.6239 -0.0117
+ 3676TIP3    H112476   6.410   6.829   2.347 -0.6192 -1.2579  2.4471
+ 3676TIP3    H212477   6.437   6.698   2.276 -0.3331  0.7228 -1.2023
+ 3677TIP3   OH212478   0.414   0.556   2.619 -0.3492  0.3908 -0.2728
+ 3677TIP3    H112479   0.413   0.638   2.570  0.1319 -0.2852 -1.4479
+ 3677TIP3    H212480   0.417   0.582   2.711  0.9661  1.6778 -0.6700
+ 3678TIP3   OH212481   6.720   6.233   1.960  0.0734  0.5077 -0.3225
+ 3678TIP3    H112482   6.722   6.139   1.943  0.7853  0.3498  0.6340
+ 3678TIP3    H212483   6.778   6.271   1.893 -0.1311  0.2612 -0.6408
+ 3679TIP3   OH212484   0.165   0.722   2.167  0.1532 -0.4951  0.1340
+ 3679TIP3    H112485   0.080   0.762   2.154  0.0625 -0.6045  0.3775
+ 3679TIP3    H212486   0.226   0.777   2.119  0.1182  0.2882  0.9786
+ 3680TIP3   OH212487   0.218   0.279   5.354 -0.1130  0.0208 -0.4325
+ 3680TIP3    H112488   0.287   0.214   5.366  2.1020  2.9609  4.3537
+ 3680TIP3    H212489   0.161   0.268   5.430 -1.2708  1.8615 -0.9951
+ 3681TIP3   OH212490   6.751   5.720   1.460 -0.3030 -0.2896  0.3286
+ 3681TIP3    H112491   6.756   5.784   1.531  1.7771 -0.3208  0.2365
+ 3681TIP3    H212492   6.754   5.773   1.380  0.8046 -0.4450  0.2569
+ 3682TIP3   OH212493   6.686   2.208   0.865  0.2951  0.3170 -0.2325
+ 3682TIP3    H112494   6.671   2.170   0.951 -1.9742 -0.0932 -0.7748
+ 3682TIP3    H212495   6.693   2.302   0.881 -0.7571  0.3036  0.3138
+ 3683TIP3   OH212496   5.611   6.842   1.363  0.2813  0.2053 -0.0653
+ 3683TIP3    H112497   5.594   6.935   1.349  1.1211  0.3229 -0.3101
+ 3683TIP3    H212498   5.704   6.837   1.385 -0.0640 -0.4244  1.3311
+ 3684TIP3   OH212499   5.205   0.286   0.882  0.1031  0.5892  0.4998
+ 3684TIP3    H112500   5.205   0.246   0.968 -1.3948 -0.2910  0.1015
+ 3684TIP3    H212501   5.115   0.316   0.869  0.4235  1.1407 -0.5589
+ 3685TIP3   OH212502   5.719   6.705   6.882 -0.8581  0.0343  0.2612
+ 3685TIP3    H112503   5.706   6.678   6.791  0.5515 -2.0173  0.6195
+ 3685TIP3    H212504   5.701   6.626   6.932  0.6469  0.5036  1.5876
+ 3686TIP3   OH212505   0.719   1.413   1.685 -0.1839  0.0414  0.2658
+ 3686TIP3    H112506   0.721   1.495   1.734 -2.4917 -0.3574  1.1011
+ 3686TIP3    H212507   0.704   1.346   1.752 -0.8791 -0.7821 -0.7017
+ 3687TIP3   OH212508   1.047   2.515   1.344 -0.3535 -0.1774 -0.2807
+ 3687TIP3    H112509   1.037   2.587   1.406  0.3281 -0.6922  0.4456
+ 3687TIP3    H212510   1.068   2.557   1.261  1.6299  0.4308  0.4791
+ 3688TIP3   OH212511   6.549   6.443   5.297 -0.2961  0.2184 -0.0034
+ 3688TIP3    H112512   6.498   6.438   5.378 -0.2499  1.4038  0.1026
+ 3688TIP3    H212513   6.640   6.432   5.326 -0.2518  0.9585  0.1486
+ 3689TIP3   OH212514   0.750   0.453   0.295  0.3070  0.2881 -0.0191
+ 3689TIP3    H112515   0.792   0.385   0.347 -2.5318 -1.8191 -0.3665
+ 3689TIP3    H212516   0.673   0.478   0.346  0.0723  1.6255 -0.9865
+ 3690TIP3   OH212517   5.770   0.413   1.381  0.3896 -0.3811 -0.3027
+ 3690TIP3    H112518   5.724   0.421   1.464  2.0634 -0.1676  0.6332
+ 3690TIP3    H212519   5.777   0.502   1.348 -0.6842 -0.5152 -0.9165
+ 3691TIP3   OH212520   6.006   1.813   3.225 -0.4864  0.3573  0.0447
+ 3691TIP3    H112521   6.079   1.783   3.171 -1.0538 -0.9089 -0.0273
+ 3691TIP3    H212522   5.939   1.837   3.161 -0.5422  0.4638  0.1439
+ 3692TIP3   OH212523   0.565   0.335   2.638 -0.4049  0.5563  0.0343
+ 3692TIP3    H112524   0.579   0.333   2.733  0.7564  0.8839 -0.1318
+ 3692TIP3    H212525   0.514   0.416   2.623 -1.7177 -0.1603  0.5149
+ 3693TIP3   OH212526   4.942   2.034   3.326 -0.7910  0.1814 -0.1739
+ 3693TIP3    H112527   4.893   1.958   3.295 -0.5018 -0.7222  1.4861
+ 3693TIP3    H212528   4.967   2.010   3.415 -0.1107  1.9609  0.1196
+ 3694TIP3   OH212529   6.745   1.151   1.750  0.4160  0.3268  0.0790
+ 3694TIP3    H112530   6.835   1.118   1.744  0.4512  0.2174  1.0317
+ 3694TIP3    H212531   6.699   1.109   1.677  1.1648  0.4798 -0.4863
+ 3695TIP3   OH212532   6.659   2.394   2.667 -0.4880 -0.0617  0.3463
+ 3695TIP3    H112533   6.652   2.338   2.745 -0.7582 -1.5985 -0.7602
+ 3695TIP3    H212534   6.624   2.340   2.596  0.6389  0.9715 -1.0115
+ 3696TIP3   OH212535   0.872   6.312   1.950  0.8069 -0.4618  0.1964
+ 3696TIP3    H112536   0.781   6.326   1.925  0.7250 -1.1868  0.0612
+ 3696TIP3    H212537   0.918   6.390   1.919  0.2681 -0.1999  0.0573
+ 3697TIP3   OH212538   5.567   0.309   2.805 -0.3509 -0.1190  0.7328
+ 3697TIP3    H112539   5.504   0.239   2.788 -0.5783  0.3507 -0.3993
+ 3697TIP3    H212540   5.513   0.384   2.832 -0.1655 -0.1356  1.1577
+ 3698TIP3   OH212541   0.870   6.407   3.721 -0.0866  0.0027 -0.3417
+ 3698TIP3    H112542   0.860   6.431   3.813 -0.0297 -1.7318  0.1274
+ 3698TIP3    H212543   0.887   6.490   3.676  0.3363  0.7980  1.2654
+ 3699TIP3   OH212544   5.245   1.875   3.100 -0.3348 -0.0278 -0.4838
+ 3699TIP3    H112545   5.261   1.896   3.192 -0.8165 -1.7728  0.0071
+ 3699TIP3    H212546   5.329   1.842   3.068 -0.6350 -1.0611 -0.2059
+ 3700TIP3   OH212547   0.302   0.386   5.023  0.5287  0.4007 -0.2245
+ 3700TIP3    H112548   0.355   0.421   5.094  0.5087  1.5421 -0.7674
+ 3700TIP3    H212549   0.213   0.410   5.046  0.1311 -2.1469  1.0573
+ 3701TIP3   OH212550   6.664   2.309   2.250 -0.3771  0.1480 -0.3604
+ 3701TIP3    H112551   6.595   2.264   2.202 -0.2049  0.5091 -0.9485
+ 3701TIP3    H212552   6.735   2.245   2.254 -0.1040  0.3849 -1.2624
+ 3702TIP3   OH212553   5.805   0.010   0.709 -0.6228 -0.0001 -0.3653
+ 3702TIP3    H112554   5.855  -0.005   0.629 -0.3047 -1.4072  0.0892
+ 3702TIP3    H212555   5.842   0.090   0.747 -0.4704  0.4124 -1.3682
+ 3703TIP3   OH212556   0.389   0.662   2.894  0.3339 -0.0949 -0.0421
+ 3703TIP3    H112557   0.314   0.715   2.920  0.4040  0.3587 -0.7442
+ 3703TIP3    H212558   0.465   0.715   2.919  0.4132 -0.3531  0.2581
+ 3704TIP3   OH212559   4.917   1.211   3.315 -0.2968  0.3626  0.0377
+ 3704TIP3    H112560   4.902   1.228   3.408 -0.0971  0.8521 -0.0143
+ 3704TIP3    H212561   4.840   1.164   3.286 -0.7041  0.8725  0.2842
+ 3705TIP3   OH212562   5.751   3.620   1.132 -0.1313  0.1268 -0.4099
+ 3705TIP3    H112563   5.704   3.589   1.209 -2.4715  0.2379 -1.7371
+ 3705TIP3    H212564   5.814   3.550   1.113 -1.0562 -0.9104  0.3064
+ 3706TIP3   OH212565   1.911   0.886   4.176 -0.2109  0.3836 -0.6235
+ 3706TIP3    H112566   1.937   0.868   4.267  1.7063 -0.9672 -1.3978
+ 3706TIP3    H212567   1.867   0.971   4.180 -1.0920 -0.1372  1.7285
+ 3707TIP3   OH212568   5.985   2.283   2.936  0.0577 -0.0056 -0.1074
+ 3707TIP3    H112569   6.051   2.349   2.958 -0.2970  0.1288  0.5634
+ 3707TIP3    H212570   6.029   2.199   2.952  0.7900  0.0462 -1.7753
+ 3708TIP3   OH212571   4.992   2.504   4.786  0.2746  0.6203  0.2620
+ 3708TIP3    H112572   4.959   2.456   4.861  1.5820  0.2977  0.6353
+ 3708TIP3    H212573   4.920   2.562   4.761 -0.6766 -0.2931  0.8717
+ 3709TIP3   OH212574   6.676   2.771   3.950  0.0010 -0.0483 -0.2941
+ 3709TIP3    H112575   6.753   2.772   4.007 -0.7616 -0.9566  0.7771
+ 3709TIP3    H212576   6.712   2.751   3.863  0.9646 -0.6208  0.2200
+ 3710TIP3   OH212577   0.313   6.670   1.652  0.1075  0.4433 -0.1604
+ 3710TIP3    H112578   0.338   6.591   1.604 -0.7497 -0.3589  0.6774
+ 3710TIP3    H212579   0.241   6.642   1.708  0.6151  1.5234  1.0664
+ 3711TIP3   OH212580   1.107   2.352   2.377 -0.1927  0.4824  0.4012
+ 3711TIP3    H112581   1.147   2.345   2.463  1.2746 -0.7260 -0.3444
+ 3711TIP3    H212582   1.062   2.268   2.364  0.3374  0.3061 -0.3588
+ 3712TIP3   OH212583   2.514   2.962   2.363 -0.2212  0.1768 -0.0879
+ 3712TIP3    H112584   2.524   2.920   2.449  0.1884  1.5746  0.5660
+ 3712TIP3    H212585   2.525   3.056   2.381 -1.5701  0.6079 -1.4416
+ 3713TIP3   OH212586   6.266   5.195   1.265  0.2977 -0.3689  0.2496
+ 3713TIP3    H112587   6.208   5.121   1.245 -0.0813  0.3886 -1.6277
+ 3713TIP3    H212588   6.219   5.246   1.331  0.1732 -1.3281  0.9128
+ 3714TIP3   OH212589   6.788   1.499   0.706  0.0656  0.4320 -0.0980
+ 3714TIP3    H112590   6.847   1.573   0.691 -1.1059  1.3292 -0.3411
+ 3714TIP3    H212591   6.781   1.457   0.621 -0.2801  0.7959 -0.2481
+ 3715TIP3   OH212592   6.737   6.311   1.037 -0.3174  0.3561  0.2405
+ 3715TIP3    H112593   6.821   6.321   0.990 -0.1983 -0.9821  0.1600
+ 3715TIP3    H212594   6.671   6.340   0.974  0.0248  0.7640  0.0650
+ 3716TIP3   OH212595   0.434   0.357   0.222  0.1029 -0.0169  0.0546
+ 3716TIP3    H112596   0.382   0.437   0.213 -0.3690 -0.3627 -0.3392
+ 3716TIP3    H212597   0.481   0.369   0.304 -0.6249  0.2956  0.4390
+ 3717TIP3   OH212598   4.253   0.364   2.657  0.3139  0.0992 -0.2847
+ 3717TIP3    H112599   4.170   0.383   2.614  0.7040 -0.7905 -1.4545
+ 3717TIP3    H212600   4.319   0.372   2.589  1.3956  2.2885  0.9689
+ 3718TIP3   OH212601   5.401   2.869   4.459  0.3025  0.0458  0.1682
+ 3718TIP3    H112602   5.456   2.945   4.474  1.0181 -0.1021 -1.6195
+ 3718TIP3    H212603   5.447   2.818   4.393 -1.4512 -0.6185 -0.5907
+ 3719TIP3   OH212604   6.529   0.759   1.385 -0.5632 -0.6617  0.2209
+ 3719TIP3    H112605   6.504   0.736   1.295  0.7954  1.3844 -0.7321
+ 3719TIP3    H212606   6.470   0.831   1.408  0.4459  0.1699  0.2068
+ 3720TIP3   OH212607   6.217   1.832   1.745  0.3040  0.8043 -0.3150
+ 3720TIP3    H112608   6.185   1.747   1.774 -1.0903  1.5817  0.4792
+ 3720TIP3    H212609   6.166   1.851   1.665 -0.3973  1.5030  0.2846
+ 3721TIP3   OH212610   6.767   0.752   1.549  0.3173 -0.1051  0.2268
+ 3721TIP3    H112611   6.708   0.738   1.475  0.2373  2.7817 -0.3191
+ 3721TIP3    H212612   6.854   0.729   1.516  0.0482 -0.4984 -0.2068
+ 3722TIP3   OH212613   6.296   6.370   4.827 -0.2745  0.0184  0.2083
+ 3722TIP3    H112614   6.385   6.345   4.802 -1.3859 -2.9350 -1.1055
+ 3722TIP3    H212615   6.302   6.391   4.920  2.1589  1.8460 -0.3270
+ 3723TIP3   OH212616   1.096   0.862   5.032  0.0580 -0.1206 -0.1654
+ 3723TIP3    H112617   1.117   0.840   5.123  0.7813 -2.0031 -0.7651
+ 3723TIP3    H212618   1.108   0.780   4.984 -5.4535 -0.5439 -1.1369
+ 3724TIP3   OH212619   0.576   0.619   3.453  0.8050  0.0550  0.2458
+ 3724TIP3    H112620   0.535   0.559   3.391 -0.5543  1.8091 -0.5656
+ 3724TIP3    H212621   0.655   0.650   3.408  2.0273 -1.7934  1.0345
+ 3725TIP3   OH212622   6.847   6.418   5.053 -0.3114 -0.2727  0.4219
+ 3725TIP3    H112623   6.869   6.380   4.968  0.0274  0.4491  0.1867
+ 3725TIP3    H212624   6.776   6.479   5.034 -1.1381 -1.0928  0.8653
+ 3726TIP3   OH212625   5.921   2.682   1.752  0.3986  0.2186 -0.2387
+ 3726TIP3    H112626   5.892   2.652   1.666  2.9584 -0.0690 -1.0416
+ 3726TIP3    H212627   5.976   2.758   1.734 -0.1641  1.0069  1.2593
+ 3727TIP3   OH212628   6.175   0.567   3.257 -0.0720 -0.4520  0.0206
+ 3727TIP3    H112629   6.232   0.499   3.293  1.7895  0.2696 -1.4369
+ 3727TIP3    H212630   6.213   0.587   3.171 -1.6533  1.1413 -0.3451
+ 3728TIP3   OH212631   0.183   2.761   5.669 -0.4811 -0.1975 -0.1373
+ 3728TIP3    H112632   0.189   2.838   5.613  1.0646  0.1272  0.4622
+ 3728TIP3    H212633   0.123   2.788   5.739 -0.6807  0.1410 -0.4363
+ 3729TIP3   OH212634   2.394   1.571   1.087  0.6520 -0.3678  0.2595
+ 3729TIP3    H112635   2.448   1.649   1.104  0.8427 -0.4489  0.0348
+ 3729TIP3    H212636   2.402   1.558   0.992  0.6227 -0.6629  0.2997
+ 3730TIP3   OH212637   1.084   2.231   2.070  0.2080 -0.0410 -0.1970
+ 3730TIP3    H112638   1.078   2.320   2.036 -3.0234 -0.4949 -1.0907
+ 3730TIP3    H212639   1.014   2.226   2.135  0.0901 -2.0031 -0.4424
+ 3731TIP3   OH212640   6.392   1.461   3.140  0.2611  0.7616  0.1756
+ 3731TIP3    H112641   6.432   1.512   3.070  0.6406 -0.3614 -0.4304
+ 3731TIP3    H212642   6.314   1.422   3.101  1.6355 -1.6447 -0.2868
+ 3732TIP3   OH212643   0.170   0.564   1.159  0.5174 -0.5688 -0.5402
+ 3732TIP3    H112644   0.248   0.619   1.165  0.7422 -0.7907 -1.2838
+ 3732TIP3    H212645   0.185   0.512   1.080 -0.5325 -0.3698 -0.8709
+ 3733TIP3   OH212646   0.906   6.037   2.615  0.4185  0.2821  0.4776
+ 3733TIP3    H112647   0.899   6.111   2.675  1.2418 -0.2513  1.2428
+ 3733TIP3    H212648   1.000   6.030   2.598  0.2512 -0.0106 -0.3180
+ 3734TIP3   OH212649   0.218   0.023   1.874  0.7780  0.0383 -0.0551
+ 3734TIP3    H112650   0.197   0.050   1.964  1.4400  0.4673 -0.0242
+ 3734TIP3    H212651   0.293  -0.036   1.884 -0.2503 -1.3004 -0.1788
+ 3735TIP3   OH212652   6.674   1.667   3.350  0.5031 -0.0932  0.0268
+ 3735TIP3    H112653   6.623   1.594   3.386  1.7219 -0.5678  0.8410
+ 3735TIP3    H212654   6.716   1.630   3.272  0.4508 -0.0178 -0.0366
+ 3736TIP3   OH212655   5.601   0.199   4.055  0.0263  0.2034 -0.6694
+ 3736TIP3    H112656   5.693   0.190   4.080 -0.1562  1.2779  0.4081
+ 3736TIP3    H212657   5.560   0.117   4.083  0.3622  0.3147  0.1461
+ 3737TIP3   OH212658   1.857   1.961   2.931  0.0282 -0.3315  0.1425
+ 3737TIP3    H112659   1.939   1.993   2.968  0.5800 -0.2215 -1.1519
+ 3737TIP3    H212660   1.790   2.020   2.966  0.8420  1.3224 -1.0427
+ 3738TIP3   OH212661   1.550   1.394   3.440 -0.0242  0.4595  0.7116
+ 3738TIP3    H112662   1.560   1.400   3.535  0.1887  1.2056  0.6474
+ 3738TIP3    H212663   1.624   1.444   3.405  0.2448 -0.3263  0.1420
+ 3739TIP3   OH212664   0.483   0.801   3.917  0.0834 -0.0846  0.2345
+ 3739TIP3    H112665   0.396   0.797   3.957  1.0563 -0.7209  2.3969
+ 3739TIP3    H212666   0.492   0.891   3.887 -0.7962  0.3393  1.2166
+ 3740TIP3   OH212667   5.355   6.523   4.998 -0.1405  0.3906 -0.0266
+ 3740TIP3    H112668   5.281   6.560   5.046 -1.3257 -2.2739  0.3241
+ 3740TIP3    H212669   5.336   6.541   4.906 -0.3701  1.1880  0.1746
+ 3741TIP3   OH212670   4.604   0.638   3.192  0.3066 -0.0322 -0.0678
+ 3741TIP3    H112671   4.535   0.599   3.140  1.4625 -2.5414  0.2177
+ 3741TIP3    H212672   4.609   0.584   3.271  2.6041  0.0575 -0.1102
+ 3742TIP3   OH212673   1.479   0.568   6.081 -0.2680 -0.7241  0.0378
+ 3742TIP3    H112674   1.482   0.547   5.988 -0.6105 -0.7113  0.0229
+ 3742TIP3    H212675   1.563   0.537   6.115 -0.1808 -0.8150 -0.2557
+ 3743TIP3   OH212676   6.006   2.393   4.555  0.0746  0.2177  0.1099
+ 3743TIP3    H112677   5.931   2.343   4.525 -0.5221  1.0403  0.1947
+ 3743TIP3    H212678   6.082   2.337   4.538 -0.6641 -1.1278  1.1380
+ 3744TIP3   OH212679   0.906   6.231   2.932 -0.4377  0.6081  0.0892
+ 3744TIP3    H112680   0.836   6.239   2.997 -0.5278 -0.6510  0.1462
+ 3744TIP3    H212681   0.861   6.244   2.848 -0.4125  1.6879  0.2341
+ 3745TIP3   OH212682   5.599   0.473   1.905 -0.4535  0.4568  1.4936
+ 3745TIP3    H112683   5.612   0.526   1.984  0.3242 -0.4022  1.9498
+ 3745TIP3    H212684   5.610   0.535   1.833 -1.6774  1.3567  2.0573
+ 3746TIP3   OH212685   1.803   3.710   0.732 -0.5686 -0.3871 -0.1590
+ 3746TIP3    H112686   1.761   3.624   0.725  0.0272 -1.0048  3.2011
+ 3746TIP3    H212687   1.792   3.736   0.823  1.8895  1.7539 -0.3861
+ 3747TIP3   OH212688   4.844   1.207   5.279 -0.3106  0.3814  0.0242
+ 3747TIP3    H112689   4.887   1.292   5.265  0.1224  0.2152  0.3335
+ 3747TIP3    H212690   4.902   1.161   5.340  0.3347 -0.7989 -1.4665
+ 3748TIP3   OH212691   4.712   1.783   2.298  0.7518  0.1324  0.1473
+ 3748TIP3    H112692   4.705   1.869   2.340  1.3206 -0.3029  1.1606
+ 3748TIP3    H212693   4.679   1.722   2.364  2.1807 -0.6244  0.1768
+ 3749TIP3   OH212694   4.841   4.976   1.312  0.0687  0.0205 -0.4088
+ 3749TIP3    H112695   4.902   4.939   1.248  1.0809  1.2552 -0.1661
+ 3749TIP3    H212696   4.856   4.926   1.392  0.7379  0.3045 -0.3582
+ 3750TIP3   OH212697   3.239   1.278   4.679 -0.6123 -0.3587  0.0218
+ 3750TIP3    H112698   3.146   1.283   4.701 -0.6945  0.6281 -0.5147
+ 3750TIP3    H212699   3.273   1.365   4.698  0.2663 -0.7928  0.4629
+ 3751TIP3   OH212700   6.422   5.822   6.403 -0.4375  0.3208 -0.4162
+ 3751TIP3    H112701   6.454   5.781   6.483  0.1015  0.2069 -0.6851
+ 3751TIP3    H212702   6.432   5.754   6.336  0.6747  0.9615 -0.9128
+ 3752TIP3   OH212703   5.263   0.357   2.082  0.3881  0.0956  0.0379
+ 3752TIP3    H112704   5.323   0.407   2.139  0.5116 -0.1908  0.1582
+ 3752TIP3    H212705   5.210   0.424   2.039  0.1929  0.3079  0.6072
+ 3753TIP3   OH212706   4.121   6.616   0.136  0.8531  0.1457  0.2428
+ 3753TIP3    H112707   4.066   6.604   0.213  0.2459  1.9125  0.1031
+ 3753TIP3    H212708   4.060   6.636   0.065  1.2736 -2.9431 -1.0766
+ 3754TIP3   OH212709   3.467   0.250   3.901 -0.2732  0.3566 -0.1393
+ 3754TIP3    H112710   3.506   0.170   3.935 -0.0782  0.0545 -1.0524
+ 3754TIP3    H212711   3.407   0.280   3.969  2.4476  1.4935  1.8289
+ 3755TIP3   OH212712   5.743   1.916   2.740 -0.4354 -0.1450 -0.3831
+ 3755TIP3    H112713   5.688   1.837   2.739 -0.1179 -0.3592 -1.8057
+ 3755TIP3    H212714   5.827   1.887   2.703 -0.3217  0.8729 -0.9232
+ 3756TIP3   OH212715   6.304   1.501   2.666 -0.5928 -0.2317  0.0745
+ 3756TIP3    H112716   6.307   1.594   2.643 -0.5083 -0.3213 -0.2771
+ 3756TIP3    H212717   6.259   1.499   2.751  0.7347  0.2695  0.8062
+ 3757TIP3   OH212718   5.680   6.708   3.221 -1.0235 -0.0249 -0.0932
+ 3757TIP3    H112719   5.728   6.704   3.304 -1.2489 -0.3001  0.0236
+ 3757TIP3    H212720   5.698   6.796   3.187 -0.5226 -0.0847  0.0033
+ 3758TIP3   OH212721   4.447   3.146   6.564  0.0331 -0.8435 -0.1843
+ 3758TIP3    H112722   4.477   3.219   6.619 -2.3176 -0.6873  0.9621
+ 3758TIP3    H212723   4.421   3.078   6.626 -1.9015 -0.9764 -1.1120
+ 3759TIP3   OH212724   1.002   0.379   4.207 -0.0804  0.2191 -0.3329
+ 3759TIP3    H112725   0.916   0.375   4.249  0.1844  1.4626  0.3405
+ 3759TIP3    H212726   1.059   0.329   4.267  0.3629  2.2543  1.0013
+ 3760TIP3   OH212727   6.116   3.723   3.780 -0.6821 -0.0301  0.6540
+ 3760TIP3    H112728   6.154   3.678   3.855 -1.7403 -1.1602  0.5190
+ 3760TIP3    H212729   6.191   3.765   3.737  0.4156 -2.2224  0.3876
+ 3761TIP3   OH212730   0.510   2.965   1.621 -0.3963 -0.0654 -0.3684
+ 3761TIP3    H112731   0.479   2.995   1.707  0.3178  3.8441 -1.3928
+ 3761TIP3    H212732   0.430   2.949   1.572 -0.8172  0.8532 -0.0014
+ 3762TIP3   OH212733   5.784   1.468   4.373  0.6097  0.4540  0.0935
+ 3762TIP3    H112734   5.819   1.454   4.461  0.8233 -0.4139 -0.1191
+ 3762TIP3    H212735   5.763   1.561   4.370 -0.1376  0.3323  1.3226
+ 3763TIP3   OH212736   4.391   2.051   3.538 -0.0706 -0.1034 -0.3228
+ 3763TIP3    H112737   4.417   2.127   3.591 -1.1792 -0.4794  0.7921
+ 3763TIP3    H212738   4.383   1.980   3.602  1.6112 -1.3255 -1.4596
+ 3764TIP3   OH212739   0.056   5.145   3.145  0.0192  0.2617 -0.1580
+ 3764TIP3    H112740   0.124   5.088   3.110 -0.4378 -0.9255  0.8527
+ 3764TIP3    H212741   0.061   5.133   3.240 -1.5024  0.2763 -0.0653
+ 3765TIP3   OH212742   0.116   6.771   5.749 -0.4290 -0.0381 -0.3030
+ 3765TIP3    H112743   0.159   6.817   5.820  0.0857  1.5630 -1.6297
+ 3765TIP3    H212744   0.058   6.708   5.792  0.5076  0.3248  1.5025
+ 3766TIP3   OH212745   6.093   6.174   4.901  0.0488  0.2475 -0.1345
+ 3766TIP3    H112746   6.101   6.084   4.869 -0.5339  0.7690 -1.8076
+ 3766TIP3    H212747   6.178   6.214   4.884  0.9438 -0.4848  2.3328
+ 3767TIP3   OH212748   4.817   6.854   2.997 -0.2484 -0.5010 -0.2368
+ 3767TIP3    H112749   4.800   6.906   2.918  1.6366 -1.2225 -1.1282
+ 3767TIP3    H212750   4.907   6.824   2.987  0.4576  0.4513  2.7893
+ 3768TIP3   OH212751   5.578   3.158   1.252  0.0527  0.5544  0.0001
+ 3768TIP3    H112752   5.619   3.136   1.336  0.1577  2.9469  0.6126
+ 3768TIP3    H212753   5.508   3.093   1.242  0.3395 -0.0444  1.6960
+ 3769TIP3   OH212754   6.701   5.455   1.009 -0.4131  0.0613 -0.3611
+ 3769TIP3    H112755   6.795   5.442   1.017 -0.5149 -0.1450  0.6791
+ 3769TIP3    H212756   6.677   5.411   0.928  0.2919 -0.4753 -0.2836
+ 3770TIP3   OH212757   0.836   5.486   2.236  0.5839 -0.3232 -0.0693
+ 3770TIP3    H112758   0.800   5.574   2.230  2.2105  0.3742  0.2526
+ 3770TIP3    H212759   0.779   5.441   2.298  0.7892  1.0443  1.1291
+ 3771TIP3   OH212760   0.229   1.033   3.479 -0.4351  0.7320 -0.7091
+ 3771TIP3    H112761   0.235   1.042   3.574  2.1786  0.9807 -0.8504
+ 3771TIP3    H212762   0.253   0.942   3.462 -2.0241  0.3670 -1.0688
+ 3772TIP3   OH212763   5.439   6.247   5.909 -0.3913  0.3244  0.8515
+ 3772TIP3    H112764   5.427   6.160   5.948 -1.5132  0.4055  0.6762
+ 3772TIP3    H212765   5.381   6.248   5.833  1.7796  0.1726 -0.8654
+ 3773TIP3   OH212766   3.802   1.263   2.918 -0.0216 -0.2200  0.0841
+ 3773TIP3    H112767   3.826   1.182   2.872 -1.8710 -0.0072 -1.3305
+ 3773TIP3    H212768   3.755   1.233   2.996 -2.2262 -0.5431 -1.3130
+ 3774TIP3   OH212769   6.303   0.410   3.556 -0.2327  0.1661 -0.3829
+ 3774TIP3    H112770   6.334   0.379   3.471  0.9410 -0.6458  0.3136
+ 3774TIP3    H212771   6.224   0.459   3.537 -1.7273 -2.5990 -1.6646
+ 3775TIP3   OH212772   0.420   2.796   0.692 -0.3544 -0.0732 -0.2202
+ 3775TIP3    H112773   0.334   2.756   0.678 -0.7155  0.8710 -0.7448
+ 3775TIP3    H212774   0.466   2.734   0.747 -1.6728 -0.2086  0.7731
+ 3776TIP3   OH212775   1.622   2.695   4.599 -0.0500  0.1933  0.3226
+ 3776TIP3    H112776   1.532   2.692   4.630 -1.1273  2.7284 -2.3559
+ 3776TIP3    H212777   1.628   2.624   4.536 -0.6162  0.8888 -0.5294
+ 3777TIP3   OH212778   0.411   3.409   2.545  0.0756  0.3781 -0.1276
+ 3777TIP3    H112779   0.482   3.406   2.481  0.4022 -0.5308  0.2652
+ 3777TIP3    H212780   0.391   3.502   2.555  1.7999  0.7112  0.3827
+ 3778TIP3   OH212781   5.888   1.890   4.764 -0.3188 -0.2942 -0.2111
+ 3778TIP3    H112782   5.965   1.919   4.715  1.0641 -0.0293  2.0597
+ 3778TIP3    H212783   5.913   1.805   4.800 -1.3158 -0.4912  0.0298
+ 3779TIP3   OH212784   0.375   1.568   3.719  0.3740 -0.1506  0.2890
+ 3779TIP3    H112785   0.280   1.563   3.725  0.3373 -1.5133 -1.0556
+ 3779TIP3    H212786   0.394   1.662   3.712 -0.7979  0.1757  1.2640
+ 3780TIP3   OH212787   6.932   2.473   2.562  0.6688 -0.2678  0.0167
+ 3780TIP3    H112788   6.921   2.442   2.472  0.8619  1.1271 -0.5073
+ 3780TIP3    H212789   6.846   2.460   2.603  0.0134  0.9020 -0.9572
+ 3781TIP3   OH212790   0.654   5.673   2.107  0.1291 -0.6035 -0.9873
+ 3781TIP3    H112791   0.714   5.651   2.035 -1.3805 -1.2904 -2.0778
+ 3781TIP3    H212792   0.576   5.621   2.089 -0.2567 -0.8339  1.2104
+ 3782TIP3   OH212793   0.400   2.558   1.600  0.1051 -0.4729  0.3354
+ 3782TIP3    H112794   0.468   2.498   1.570 -0.4536 -0.8752 -0.1454
+ 3782TIP3    H212795   0.367   2.599   1.520 -0.2882 -0.3550  0.5560
+ 3783TIP3   OH212796   1.460   2.036   1.623  0.2618 -0.0555  0.4371
+ 3783TIP3    H112797   1.370   2.070   1.623 -0.3709 -1.6686 -0.2987
+ 3783TIP3    H212798   1.515   2.113   1.610 -1.0912  0.8039 -0.2877
+ 3784TIP3   OH212799   1.184   3.055   2.743 -0.0088 -0.0660  0.3838
+ 3784TIP3    H112800   1.169   2.966   2.776 -0.4480 -0.2597 -0.3197
+ 3784TIP3    H212801   1.277   3.058   2.723 -0.7422 -1.8465 -3.7988
+ 3785TIP3   OH212802   6.218   3.849   2.245  0.3189 -0.7321 -0.0474
+ 3785TIP3    H112803   6.255   3.818   2.163 -1.2797  1.6857 -1.7397
+ 3785TIP3    H212804   6.244   3.941   2.250 -0.5788 -0.5519  1.5959
+ 3786TIP3   OH212805   6.151   2.267   3.820  0.6223 -0.1427 -0.3779
+ 3786TIP3    H112806   6.150   2.184   3.772  0.4191  0.2906 -1.1224
+ 3786TIP3    H212807   6.080   2.318   3.781 -1.1506 -0.7147  2.0082
+ 3787TIP3   OH212808   0.161   2.961   2.313  0.7301 -0.0780 -0.3276
+ 3787TIP3    H112809   0.121   3.041   2.280  1.8933 -0.4524 -2.8344
+ 3787TIP3    H212810   0.246   2.988   2.347  0.5825 -0.0478  0.0118
+ 3788TIP3   OH212811   0.939   1.903   2.692  0.2591 -0.6123  0.1765
+ 3788TIP3    H112812   0.904   1.931   2.607 -1.9592 -0.0805  1.2098
+ 3788TIP3    H212813   0.872   1.843   2.726 -0.1726  1.2486  2.6923
+ 3789TIP3   OH212814   1.489   2.580   2.882 -0.0544  0.2999  0.3173
+ 3789TIP3    H112815   1.549   2.508   2.905  0.5008  0.1074 -1.6653
+ 3789TIP3    H212816   1.469   2.622   2.966  1.8450 -0.4401  1.1685
+ 3790TIP3   OH212817   0.037   3.239   2.789 -0.1240 -0.4919  0.0920
+ 3790TIP3    H112818   0.048   3.278   2.876 -1.8509  1.6887 -0.5875
+ 3790TIP3    H212819  -0.038   3.181   2.798  1.1813 -2.1090  0.6180
+ 3791TIP3   OH212820   6.250   4.528   3.810  0.4774  0.2366  0.5772
+ 3791TIP3    H112821   6.277   4.613   3.845  0.9338  0.3442 -0.0307
+ 3791TIP3    H212822   6.304   4.515   3.732 -0.7316  0.1380 -0.2644
+ 3792TIP3   OH212823   2.679   2.750   2.265 -0.6323  0.0632  0.1988
+ 3792TIP3    H112824   2.618   2.821   2.287 -0.2296  0.8880 -1.2474
+ 3792TIP3    H212825   2.753   2.763   2.325 -0.3538  1.1718 -0.3559
+ 3793TIP3   OH212826   1.427   2.025   3.659  0.1858 -0.6573  0.3043
+ 3793TIP3    H112827   1.348   2.043   3.710  0.2016 -0.7433  0.3604
+ 3793TIP3    H212828   1.487   2.097   3.680 -0.5510  0.3986 -1.1465
+ 3794TIP3   OH212829   1.551   2.701   1.930 -0.1402 -0.0214 -0.3207
+ 3794TIP3    H112830   1.476   2.723   1.985 -0.9704  1.2522 -1.9174
+ 3794TIP3    H212831   1.568   2.781   1.881  0.1627 -1.3428 -2.4161
+ 3795TIP3   OH212832   6.505   4.356   2.112  0.2300  0.5651 -0.1313
+ 3795TIP3    H112833   6.466   4.348   2.199 -1.4854  0.3840 -0.8912
+ 3795TIP3    H212834   6.459   4.430   2.072 -1.1444 -1.2308 -1.9612
+ 3796TIP3   OH212835   3.523   1.868   2.120  0.7895 -0.2226 -0.8488
+ 3796TIP3    H112836   3.428   1.881   2.118  0.3385 -2.6041  1.6113
+ 3796TIP3    H212837   3.556   1.942   2.172 -0.0340 -0.7835  0.4950
+ 3797TIP3   OH212838   5.780   1.710   4.222 -0.0638  1.0275  0.2405
+ 3797TIP3    H112839   5.874   1.697   4.228 -0.2801 -0.8523 -0.3261
+ 3797TIP3    H212840   5.761   1.703   4.129 -1.1272 -1.2500  0.6075
+ 3798TIP3   OH212841   6.818   5.523   1.952 -0.2931 -1.1168  0.1228
+ 3798TIP3    H112842   6.724   5.503   1.959  0.1116 -2.7081  1.0920
+ 3798TIP3    H212843   6.846   5.477   1.873 -0.7177  0.9710 -1.2932
+ 3799TIP3   OH212844   1.130   2.868   2.452 -0.2502 -0.1535  0.0432
+ 3799TIP3    H112845   1.202   2.835   2.398 -1.1575  0.7178 -1.7202
+ 3799TIP3    H212846   1.147   2.832   2.539  1.3581 -1.3911 -0.7661
+ 3800TIP3   OH212847   0.205   3.438   3.483  0.1037 -0.4806 -0.8890
+ 3800TIP3    H112848   0.169   3.350   3.468 -0.7883 -0.1607 -0.6774
+ 3800TIP3    H212849   0.132   3.497   3.462  0.9113  0.2430 -1.6946
+ 3801TIP3   OH212850   5.731   2.178   2.592  0.0098  0.1925 -0.0643
+ 3801TIP3    H112851   5.693   2.104   2.640 -0.6985  0.3411 -0.3748
+ 3801TIP3    H212852   5.752   2.142   2.506 -1.9555  0.7594 -0.8070
+ 3802TIP3   OH212853   0.636   4.904   3.639  0.0582  0.6655  0.4499
+ 3802TIP3    H112854   0.640   4.928   3.732  0.3048  2.2300  0.0534
+ 3802TIP3    H212855   0.554   4.857   3.630 -0.4396  1.3554  1.2751
+ 3803TIP3   OH212856   2.441   2.169   2.816  0.4086 -0.0606  0.6295
+ 3803TIP3    H112857   2.381   2.192   2.887 -0.8759 -1.1413 -0.0867
+ 3803TIP3    H212858   2.443   2.247   2.760 -1.0328 -0.3232  0.1903
+ 3804TIP3   OH212859   6.569   3.936   2.848  0.5237 -0.7164  0.2729
+ 3804TIP3    H112860   6.590   3.884   2.925  0.8926 -2.3068 -0.8805
+ 3804TIP3    H212861   6.600   4.024   2.869  0.8552 -1.1953  1.8225
+ 3805TIP3   OH212862   1.844   3.209   1.347 -0.5899  0.0332 -0.0471
+ 3805TIP3    H112863   1.848   3.128   1.296 -0.8626  0.1715 -0.2925
+ 3805TIP3    H212864   1.834   3.278   1.282  0.3380  0.3284  0.1254
+ 3806TIP3   OH212865   0.071   3.303   4.660 -0.5491 -0.3577 -0.1228
+ 3806TIP3    H112866   0.053   3.210   4.677  0.2526 -0.1556  1.9954
+ 3806TIP3    H212867   0.100   3.337   4.745 -0.3149  1.7067 -1.0190
+ 3807TIP3   OH212868   6.237   2.230   4.508  0.5199 -0.3078  0.6717
+ 3807TIP3    H112869   6.269   2.185   4.429  0.1910  1.1533 -0.3182
+ 3807TIP3    H212870   6.312   2.278   4.541  0.5599 -0.6214  1.0343
+ 3808TIP3   OH212871   6.506   3.926   2.428 -0.7912 -0.2312  0.5161
+ 3808TIP3    H112872   6.496   3.936   2.334 -0.0986  0.6113  0.5296
+ 3808TIP3    H212873   6.564   3.851   2.438 -0.8649 -0.3208  0.2828
+ 3809TIP3   OH212874   0.755   2.452   3.282  0.0600  0.3978 -0.1831
+ 3809TIP3    H112875   0.759   2.358   3.302  0.5399  0.0687 -1.7451
+ 3809TIP3    H212876   0.845   2.475   3.261 -0.1036  1.1606 -0.0359
+ 3810TIP3   OH212877   6.804   3.480   3.497  0.6234 -0.0124 -0.2576
+ 3810TIP3    H112878   6.784   3.423   3.423 -0.9251  0.0177  0.1146
+ 3810TIP3    H212879   6.719   3.517   3.522  0.9050 -0.9707  2.3037
+ 3811TIP3   OH212880   1.077   4.712   0.776 -0.4489 -0.4109 -0.4539
+ 3811TIP3    H112881   1.042   4.629   0.743  2.2185 -1.3437 -1.0528
+ 3811TIP3    H212882   1.098   4.762   0.698 -0.3069  0.0770 -0.1074
+ 3812TIP3   OH212883   1.792   2.574   4.207  0.7142 -0.2421 -0.1841
+ 3812TIP3    H112884   1.824   2.635   4.274  1.3341 -0.2794 -0.4425
+ 3812TIP3    H212885   1.870   2.525   4.180  0.3295 -0.7279 -0.4109
+ 3813TIP3   OH212886   1.342   2.692   4.624 -0.2444  0.7592  0.6084
+ 3813TIP3    H112887   1.306   2.689   4.712 -0.8101 -0.6610  0.3508
+ 3813TIP3    H212888   1.265   2.692   4.566  0.1251  0.9687  0.1099
+ 3814TIP3   OH212889   0.107   3.353   2.529  0.1326 -0.0750 -0.2493
+ 3814TIP3    H112890   0.072   3.283   2.583 -0.4029  0.2197 -0.2198
+ 3814TIP3    H212891   0.200   3.357   2.553  0.1161 -0.6093 -0.0786
+ 3815TIP3   OH212892   6.176   3.437   2.020 -0.5093 -0.1051  0.0249
+ 3815TIP3    H112893   6.164   3.381   1.943  3.5303 -1.2319  0.1004
+ 3815TIP3    H212894   6.110   3.406   2.082 -1.5283 -1.5289 -1.7216
+ 3816TIP3   OH212895   0.623   3.880   2.541  0.0392  0.0653 -0.0691
+ 3816TIP3    H112896   0.661   3.793   2.546  0.6032  0.2470 -1.1081
+ 3816TIP3    H212897   0.576   3.882   2.458 -0.1291  0.6893  0.0334
+ 3817TIP3   OH212898   1.628   4.811   3.519 -1.1448 -0.0822 -1.0283
+ 3817TIP3    H112899   1.716   4.805   3.557 -1.2904 -0.3828 -0.7326
+ 3817TIP3    H212900   1.590   4.889   3.559 -1.4111 -0.5765 -0.3198
+ 3818TIP3   OH212901   0.816   4.224   2.878 -0.2465 -0.5182  0.2089
+ 3818TIP3    H112902   0.829   4.156   2.811  1.6494 -0.5829  0.6150
+ 3818TIP3    H212903   0.746   4.278   2.843  0.1744 -1.0175 -1.4803
+ 3819TIP3   OH212904   0.831   1.379   3.374 -0.5495 -0.3828  0.2371
+ 3819TIP3    H112905   0.750   1.428   3.385  0.4950  0.6952  3.7579
+ 3819TIP3    H212906   0.808   1.288   3.395 -0.4660  0.2641  3.3744
+ 3820TIP3   OH212907   1.257   3.436   3.639 -0.3526 -0.9309  0.0165
+ 3820TIP3    H112908   1.287   3.511   3.691  1.5239 -2.1603  0.7397
+ 3820TIP3    H212909   1.298   3.448   3.553 -0.7736 -0.6880 -0.1583
+ 3821TIP3   OH212910   0.964   3.183   2.656 -0.2864 -0.8053  0.6004
+ 3821TIP3    H112911   0.908   3.175   2.733 -0.2480 -1.2214  0.5888
+ 3821TIP3    H212912   1.048   3.146   2.683  0.1951  0.4098  0.8195
+ 3822TIP3   OH212913   0.921   0.785   3.042 -0.5329  0.2146 -0.0677
+ 3822TIP3    H112914   0.999   0.832   3.010  1.0745 -2.2078  0.2160
+ 3822TIP3    H212915   0.956   0.712   3.093 -2.9840 -1.5371 -0.8172
+ 3823TIP3   OH212916   1.951   1.539   1.512 -0.3655  0.1394 -0.5209
+ 3823TIP3    H112917   1.864   1.546   1.553  0.2527 -1.5916  1.1258
+ 3823TIP3    H212918   2.007   1.504   1.581  1.1660 -0.8769 -2.2516
+ 3824TIP3   OH212919   2.827   1.060   1.942  0.1560  0.0210 -0.1288
+ 3824TIP3    H112920   2.864   1.035   2.027  0.4759 -0.6377 -0.4658
+ 3824TIP3    H212921   2.803   0.977   1.901  0.4405  0.3177 -0.8902
+ 3825TIP3   OH212922   1.405   2.684   3.483  0.2661 -0.1664 -0.5399
+ 3825TIP3    H112923   1.361   2.755   3.436 -0.6614  0.1482  0.7663
+ 3825TIP3    H212924   1.373   2.604   3.441 -1.2939  0.0728  0.1582
+ 3826TIP3   OH212925   1.862   1.709   0.963 -0.0688  0.0844  0.1580
+ 3826TIP3    H112926   1.906   1.767   1.025  1.0913 -1.7921  1.1188
+ 3826TIP3    H212927   1.864   1.623   1.004 -1.9843 -0.6341 -1.1368
+ 3827TIP3   OH212928   1.677   2.695   2.440 -0.0240 -0.2238 -0.5627
+ 3827TIP3    H112929   1.750   2.745   2.477 -0.1152 -0.7851  0.3923
+ 3827TIP3    H212930   1.606   2.707   2.503 -0.2271 -1.0676 -0.6278
+ 3828TIP3   OH212931   1.126   2.319   2.963 -0.0987 -0.2666  0.3293
+ 3828TIP3    H112932   1.158   2.254   2.900 -1.2799  0.6350 -1.2176
+ 3828TIP3    H212933   1.078   2.383   2.911 -1.2391  0.4292  2.1504
+ 3829TIP3   OH212934   6.040   0.718   2.409  0.0464  0.3882 -0.2000
+ 3829TIP3    H112935   5.993   0.801   2.416  0.8717  1.0599 -2.3832
+ 3829TIP3    H212936   5.972   0.652   2.402 -0.5912  1.1379 -1.1008
+ 3830TIP3   OH212937   5.921   3.989   2.999  0.1002  0.1746  0.2412
+ 3830TIP3    H112938   5.873   4.067   3.027  3.1225  1.8718  1.0221
+ 3830TIP3    H212939   5.910   3.985   2.904 -2.4938 -0.1724  0.5341
+ 3831TIP3   OH212940   5.836   2.167   1.240  0.0292 -0.4001  0.1769
+ 3831TIP3    H112941   5.807   2.080   1.215 -3.0279  0.8586 -0.8704
+ 3831TIP3    H212942   5.879   2.202   1.162 -1.7960  0.2794 -0.5465
+ 3832TIP3   OH212943   0.403   2.894   1.356  0.0878 -0.0850 -0.0946
+ 3832TIP3    H112944   0.453   2.812   1.353 -1.2830 -0.8910 -1.8819
+ 3832TIP3    H212945   0.458   2.957   1.308  1.1539  0.0678  1.2969
+ 3833TIP3   OH212946   1.467   2.408   2.520  0.1544 -0.3338 -0.1183
+ 3833TIP3    H112947   1.405   2.372   2.584  0.7383 -0.2656  0.4914
+ 3833TIP3    H212948   1.484   2.335   2.461  0.7123 -0.8392  0.6459
+ 3834TIP3   OH212949   6.221   3.117   2.332  0.1260 -0.1200 -0.1995
+ 3834TIP3    H112950   6.180   3.072   2.406  1.1978 -1.6816 -0.5296
+ 3834TIP3    H212951   6.159   3.104   2.260  0.0172 -0.3340 -0.0704
+ 3835TIP3   OH212952   5.777   2.075   2.336 -0.5386 -0.3147 -0.2212
+ 3835TIP3    H112953   5.862   2.110   2.308  0.2391  0.8860  3.3745
+ 3835TIP3    H212954   5.715   2.108   2.270  1.2978  1.6410 -1.0297
+ 3836TIP3   OH212955   5.543   1.990   2.438 -0.7788 -0.3406 -0.1267
+ 3836TIP3    H112956   5.626   2.011   2.394 -1.3748  0.7266 -0.7653
+ 3836TIP3    H212957   5.533   1.895   2.426  1.2872 -0.8220  1.6200
+ 3837TIP3   OH212958   0.645   1.637   3.408 -0.5934 -0.8671  0.2689
+ 3837TIP3    H112959   0.568   1.690   3.388 -2.4855 -4.0063 -1.2232
+ 3837TIP3    H212960   0.719   1.698   3.404 -2.6475  1.5992 -1.3760
+ 3838TIP3   OH212961   0.472   2.461   3.399 -0.1610  0.1937 -0.0247
+ 3838TIP3    H112962   0.485   2.443   3.493 -0.7705 -3.1179 -0.4981
+ 3838TIP3    H212963   0.561   2.466   3.364  0.0670  0.6293  0.6029
+ 3839TIP3   OH212964   1.564   4.710   1.099 -0.4885  0.5714  0.5778
+ 3839TIP3    H112965   1.493   4.715   1.035  0.4905 -0.0958 -0.5663
+ 3839TIP3    H212966   1.622   4.782   1.076  0.0971  0.0529  0.4255
+ 3840TIP3   OH212967   6.431   2.020   2.914 -0.1602 -0.0210  0.4869
+ 3840TIP3    H112968   6.436   2.023   3.009 -1.5973  1.0795  0.5468
+ 3840TIP3    H212969   6.521   2.031   2.884  0.7170 -3.2922  1.7447
+ 3841TIP3   OH212970   1.096   2.727   2.189  0.1961 -0.2848  0.2231
+ 3841TIP3    H112971   1.074   2.697   2.277 -0.7993 -1.8828 -0.5361
+ 3841TIP3    H212972   1.182   2.690   2.171 -0.1428 -1.0091  0.0669
+ 3842TIP3   OH212973   0.372   2.131   1.857 -1.0014  0.1698  0.2623
+ 3842TIP3    H112974   0.415   2.142   1.772  1.6719 -1.6820  1.3027
+ 3842TIP3    H212975   0.442   2.144   1.921 -1.5471 -4.4865  1.9784
+ 3843TIP3   OH212976   0.137   3.956   1.288  0.1789  0.2476  0.5672
+ 3843TIP3    H112977   0.199   3.939   1.359 -0.1688  0.5110  0.9303
+ 3843TIP3    H212978   0.178   4.026   1.237  0.0734  0.5752  0.9339
+ 3844TIP3   OH212979   1.102   4.006   2.571 -0.1711 -0.1741 -0.4943
+ 3844TIP3    H112980   1.136   4.083   2.616  0.2809 -0.7462  0.1646
+ 3844TIP3    H212981   1.018   4.033   2.535  0.6388  1.0467 -1.5078
+ 3845TIP3   OH212982   1.226   1.594   3.272  0.3929 -0.1218  0.1119
+ 3845TIP3    H112983   1.245   1.506   3.305  1.3189  0.2077  0.4707
+ 3845TIP3    H212984   1.306   1.621   3.229  0.3374  0.8112  0.5809
+ 3846TIP3   OH212985   1.211   0.556   5.126 -0.0028  0.0977  0.4160
+ 3846TIP3    H112986   1.282   0.602   5.081  1.0662 -2.4696 -0.6313
+ 3846TIP3    H212987   1.148   0.535   5.057 -0.2247 -0.4380  0.7788
+ 3847TIP3   OH212988   1.454   2.364   2.057  0.1758  0.2994  0.2717
+ 3847TIP3    H112989   1.437   2.396   1.968 -2.2601 -0.8706  0.2840
+ 3847TIP3    H212990   1.469   2.270   2.046  1.2155  0.3712  0.9618
+ 3848TIP3   OH212991   2.542   5.169   3.071  0.2772 -0.3699 -0.1202
+ 3848TIP3    H112992   2.594   5.186   3.150  0.9714  0.4377 -0.7327
+ 3848TIP3    H212993   2.595   5.108   3.020  1.8577  2.3291 -1.8879
+ 3849TIP3   OH212994   1.851   3.559   1.546  0.2849  0.1261 -0.4619
+ 3849TIP3    H112995   1.887   3.574   1.459  3.2209 -0.6494  0.5526
+ 3849TIP3    H212996   1.907   3.490   1.583 -2.6556 -1.5406  1.0023
+ 3850TIP3   OH212997   0.011   0.875   4.398  0.3666 -0.4813 -0.4954
+ 3850TIP3    H112998  -0.016   0.949   4.343  1.1156 -0.1389 -0.4061
+ 3850TIP3    H212999   0.008   0.800   4.340  2.5221  0.1002 -1.4003
+ 3851TIP3   OH213000   0.452   2.626   3.792 -0.4897  0.2756 -0.0056
+ 3851TIP3    H113001   0.506   2.703   3.807  0.7705 -0.3208 -1.3108
+ 3851TIP3    H213002   0.414   2.639   3.705 -1.0052 -0.1349  0.1542
+ 3852TIP3   OH213003   2.350   2.664   2.641 -0.4444  0.2211 -0.0779
+ 3852TIP3    H113004   2.420   2.723   2.612 -1.9152  1.8265 -0.4894
+ 3852TIP3    H213005   2.342   2.681   2.735 -0.1663 -0.0750 -0.0027
+ 3853TIP3   OH213006   0.770   3.175   2.838  0.1250  0.8267  0.0787
+ 3853TIP3    H113007   0.771   3.252   2.894 -0.0420  1.4421 -0.7517
+ 3853TIP3    H213008   0.682   3.175   2.799  0.3509  0.5816 -0.4267
+ 3854TIP3   OH213009   1.824   1.157   3.935 -0.0806 -0.4820 -0.0613
+ 3854TIP3    H113010   1.844   1.169   3.842 -0.4028 -0.7872 -0.1711
+ 3854TIP3    H213011   1.903   1.186   3.980  0.1826 -0.5939 -0.4437
+ 3855TIP3   OH213012   0.617   1.167   1.155 -0.4157  0.4776  0.1595
+ 3855TIP3    H113013   0.608   1.156   1.060 -1.5448  1.2787  0.1626
+ 3855TIP3    H213014   0.708   1.143   1.173 -0.6834 -1.4594 -0.8779
+ 3856TIP3   OH213015   0.864   2.754   0.964  0.2068 -0.3485 -0.4218
+ 3856TIP3    H113016   0.939   2.696   0.954 -0.3485 -1.3076  0.8367
+ 3856TIP3    H213017   0.834   2.770   0.875  2.7973  1.2693 -1.0742
+ 3857TIP3   OH213018   0.323   3.190   4.457 -0.2943 -0.9374  0.9653
+ 3857TIP3    H113019   0.229   3.173   4.461 -0.1553 -1.6489  1.3451
+ 3857TIP3    H213020   0.349   3.158   4.370 -0.6937  0.8422  0.1579
+ 3858TIP3   OH213021   0.487   5.897   3.262  0.0345 -0.0370  0.4936
+ 3858TIP3    H113022   0.409   5.944   3.289 -0.5109 -0.2580 -0.7028
+ 3858TIP3    H213023   0.499   5.919   3.170  1.1636 -0.3096  0.5623
+ 3859TIP3   OH213024   1.372   2.637   3.127  0.4319  0.0830  0.3822
+ 3859TIP3    H113025   1.360   2.717   3.178 -0.0582  0.3610 -0.1568
+ 3859TIP3    H213026   1.356   2.566   3.188 -1.1362  0.4215  0.3756
+ 3860TIP3   OH213027   0.990   3.136   0.799 -0.6437 -0.1463 -0.1350
+ 3860TIP3    H113028   0.902   3.146   0.761 -0.5211 -3.4068 -1.4046
+ 3860TIP3    H213029   0.977   3.155   0.892 -2.5716  0.0025 -0.4018
+ 3861TIP3   OH213030   0.789   3.377   4.273 -0.3035 -0.5747 -0.4734
+ 3861TIP3    H113031   0.797   3.456   4.325 -1.9265 -0.0849 -0.9548
+ 3861TIP3    H213032   0.879   3.344   4.266 -0.0317 -0.5506  2.4397
+ 3862TIP3   OH213033   0.664   1.611   3.041 -0.0439 -0.4908  0.3147
+ 3862TIP3    H113034   0.584   1.663   3.037  0.4475  0.2272 -0.4549
+ 3862TIP3    H213035   0.715   1.650   3.112 -0.2836 -0.8150  0.6659
+ 3863TIP3   OH213036   5.560   3.215   2.619  0.2979  0.2252 -0.2339
+ 3863TIP3    H113037   5.654   3.206   2.633 -0.0268 -3.6301 -0.0831
+ 3863TIP3    H213038   5.541   3.155   2.547 -2.0406  1.1856 -0.4553
+ 3864TIP3   OH213039   4.039   2.002   1.223  0.2102  0.0980 -0.5488
+ 3864TIP3    H113040   4.084   2.066   1.167 -0.0127  1.0650  0.3587
+ 3864TIP3    H213041   3.947   2.028   1.218  0.0609 -0.4288 -0.5286
+ 3865TIP3   OH213042   0.425   3.053   2.462  0.2744  0.3339 -0.8771
+ 3865TIP3    H113043   0.461   3.130   2.505 -0.1123  0.6638 -1.1521
+ 3865TIP3    H213044   0.416   2.989   2.533 -1.3754  1.2327 -0.2488
+ 3866TIP3   OH213045   0.141   2.436   0.939 -0.1858  0.1537  0.4213
+ 3866TIP3    H113046   0.135   2.356   0.990 -1.4528  0.5434  0.9023
+ 3866TIP3    H213047   0.218   2.481   0.974  0.1089 -0.5051  0.6345
+ 3867TIP3   OH213048   6.645   3.203   1.279  0.5446 -0.0588 -0.5304
+ 3867TIP3    H113049   6.587   3.169   1.347 -0.2781  1.2660 -0.5471
+ 3867TIP3    H213050   6.729   3.158   1.294 -0.4587 -1.9641 -0.4834
+ 3868TIP3   OH213051   0.795   3.645   3.510  0.2833  0.2544 -0.0022
+ 3868TIP3    H113052   0.864   3.703   3.479 -1.9377  3.2317  0.4479
+ 3868TIP3    H213053   0.760   3.605   3.430  2.8802 -1.8210 -0.1857
+ 3869TIP3   OH213054   0.131   4.198   2.368  0.5921  0.3041  0.2995
+ 3869TIP3    H113055   0.214   4.238   2.341 -0.0245  0.8366 -0.8723
+ 3869TIP3    H213056   0.152   4.106   2.381  0.6231 -0.3871 -3.7525
+ 3870TIP3   OH213057   1.058   3.730   2.545  0.3436 -0.1886  0.3792
+ 3870TIP3    H113058   0.996   3.701   2.478  0.9090  1.0432 -0.6863
+ 3870TIP3    H213059   1.069   3.824   2.530  0.6189  0.0695  2.0825
+ 3871TIP3   OH213060   2.888   1.547   2.867 -0.1431 -0.4139 -0.3395
+ 3871TIP3    H113061   2.827   1.533   2.794 -1.0562 -2.8568  0.8472
+ 3871TIP3    H213062   2.832   1.561   2.943  0.8050 -0.5529  0.3916
+ 3872TIP3   OH213063   0.183   0.341   2.563 -0.0409  0.7063  0.7130
+ 3872TIP3    H113064   0.174   0.302   2.650 -0.2471 -1.2304 -0.1373
+ 3872TIP3    H213065   0.243   0.415   2.576  1.5362 -0.7690  2.1410
+ 3873TIP3   OH213066   6.883   5.033   2.012 -0.2056 -0.9842  0.2118
+ 3873TIP3    H113067   6.867   5.097   2.081 -0.0860  0.0831 -0.7482
+ 3873TIP3    H213068   6.816   4.966   2.026 -0.9628 -0.1494  0.6033
+ 3874TIP3   OH213069   6.624   1.156   4.054 -0.2805 -0.3577 -0.5768
+ 3874TIP3    H113070   6.616   1.251   4.046 -1.9826 -0.3382  1.0154
+ 3874TIP3    H213071   6.539   1.122   4.028 -0.1321 -1.3534  0.2080
+ 3875TIP3   OH213072   6.380   1.988   1.320 -0.0029 -0.1834 -0.2114
+ 3875TIP3    H113073   6.293   2.026   1.326  0.5418  0.9241  0.6930
+ 3875TIP3    H213074   6.385   1.954   1.230 -0.4504  1.9929 -1.0800
+ 3876TIP3   OH213075   1.411   2.919   2.052 -0.2868  0.0814  0.6483
+ 3876TIP3    H113076   1.412   2.864   2.131 -1.3234  2.1481  2.1651
+ 3876TIP3    H213077   1.419   3.009   2.086  0.0064  0.9604 -1.6693
+ 3877TIP3   OH213078   1.563   4.347   3.206 -0.2650 -0.2430 -0.1336
+ 3877TIP3    H113079   1.610   4.426   3.181  0.6809 -0.6289  0.4111
+ 3877TIP3    H213080   1.616   4.307   3.275 -1.1237 -0.9530  0.1389
+ 3878TIP3   OH213081   6.057   4.702   4.354  0.8727 -0.1381  0.3446
+ 3878TIP3    H113082   6.091   4.657   4.432  0.1606 -0.4775  0.4635
+ 3878TIP3    H213083   5.983   4.753   4.387  1.5223  0.9421  0.1664
+ 3879TIP3   OH213084   1.219   1.943   1.039  0.2353 -0.0489  0.3760
+ 3879TIP3    H113085   1.275   1.887   1.092  0.6939 -1.7011 -1.7978
+ 3879TIP3    H213086   1.150   1.971   1.099  0.9939 -1.5049  1.9683
+ 3880TIP3   OH213087   2.707   3.765   0.714  0.0258 -0.2462  0.2167
+ 3880TIP3    H113088   2.613   3.782   0.720  0.1908  0.6292  0.3640
+ 3880TIP3    H213089   2.740   3.779   0.803  0.8098  2.6676 -0.4655
+ 3881TIP3   OH213090   4.126   1.974   3.690 -0.0487 -0.2082  0.0420
+ 3881TIP3    H113091   4.154   1.947   3.777 -2.2436  1.3497  1.2782
+ 3881TIP3    H213092   4.177   2.052   3.671 -0.5860  0.2738  0.5556
+ 3882TIP3   OH213093   6.864   4.704   6.090 -0.7309  1.0832  0.1309
+ 3882TIP3    H113094   6.784   4.673   6.132  0.2428 -0.7850  0.6463
+ 3882TIP3    H213095   6.882   4.640   6.021  0.0992  1.7244 -0.2637
+ 3883TIP3   OH213096   6.879   3.295   4.200  0.1942  0.6771 -0.7692
+ 3883TIP3    H113097   6.897   3.256   4.286  0.2586 -0.6011 -1.3535
+ 3883TIP3    H213098   6.784   3.286   4.190  0.4756 -1.4837 -1.8958
+ 3884TIP3   OH213099   0.439   2.331   0.350 -0.3169 -0.3070  0.2230
+ 3884TIP3    H113100   0.358   2.302   0.391 -0.1235 -0.1419  0.7178
+ 3884TIP3    H213101   0.508   2.307   0.411 -0.0232 -0.1130 -0.0268
+ 3885TIP3   OH213102   5.754   2.740   2.359 -0.3806 -0.1857 -0.0908
+ 3885TIP3    H113103   5.665   2.719   2.387  0.0712  0.2638  1.6897
+ 3885TIP3    H213104   5.803   2.658   2.368 -0.6575 -0.5092 -1.3466
+ 3886TIP3   OH213105   1.692   2.118   0.509 -0.3371 -0.3862 -0.1576
+ 3886TIP3    H113106   1.764   2.074   0.464  1.5687 -0.6429  2.9934
+ 3886TIP3    H213107   1.690   2.077   0.596 -2.2194  1.8186  0.8721
+ 3887TIP3   OH213108   6.494   3.129   1.930  0.3488 -0.2793 -0.0384
+ 3887TIP3    H113109   6.444   3.051   1.905 -1.0346  0.2425  1.0639
+ 3887TIP3    H213110   6.564   3.097   1.986 -0.1972 -0.7293  0.3819
+ 3888TIP3   OH213111   1.408   4.091   1.310  0.4389 -0.7718 -0.0999
+ 3888TIP3    H113112   1.455   4.065   1.231  0.2513 -0.7226 -0.2272
+ 3888TIP3    H213113   1.332   4.033   1.313 -0.1860  0.0087 -0.5897
+ 3889TIP3   OH213114   1.911   3.049   4.923 -0.0730 -0.0177  0.0285
+ 3889TIP3    H113115   1.981   3.080   4.866  0.6939  0.6194  1.3017
+ 3889TIP3    H213116   1.911   2.954   4.910 -0.6627  0.2016 -1.8576
+ 3890TIP3   OH213117   0.337   0.814   4.208 -0.1763 -0.5155  0.1190
+ 3890TIP3    H113118   0.307   0.903   4.190 -1.3687 -1.1215 -0.9481
+ 3890TIP3    H213119   0.282   0.785   4.281  2.9899  1.0525  3.3236
+ 3891TIP3   OH213120   0.252   2.367   1.957 -0.2912 -0.0679 -0.0102
+ 3891TIP3    H113121   0.290   2.297   1.905  0.4052 -1.0303  1.7336
+ 3891TIP3    H213122   0.327   2.407   2.001 -0.8635  0.6840  0.2975
+ 3892TIP3   OH213123   0.118   3.206   3.362  0.0773 -0.0378 -0.4254
+ 3892TIP3    H113124   0.095   3.117   3.388 -2.0078  0.6312  0.1266
+ 3892TIP3    H213125   0.207   3.199   3.328  0.3583 -2.1251  0.6703
+ 3893TIP3   OH213126   1.438   2.778   2.265  0.5123 -0.3004 -0.2946
+ 3893TIP3    H113127   1.407   2.687   2.260  0.3669 -0.2001 -1.1863
+ 3893TIP3    H213128   1.509   2.775   2.330  0.2564 -0.9799 -0.0435
+ 3894TIP3   OH213129   1.064   2.873   5.099  0.0084  0.0023  0.1227
+ 3894TIP3    H113130   1.102   2.790   5.128 -3.1706 -0.8402  2.1120
+ 3894TIP3    H213131   0.995   2.848   5.038  0.4380  1.3284 -0.9380
+ 3895TIP3   OH213132   5.228   1.977   4.152  0.6030  0.3132 -0.1627
+ 3895TIP3    H113133   5.284   1.920   4.100  1.2530  0.1602  0.6820
+ 3895TIP3    H213134   5.200   2.046   4.092  1.5218  0.2676 -0.6512
+ 3896TIP3   OH213135   4.866   2.223   3.877 -0.2872 -0.4034 -0.6609
+ 3896TIP3    H113136   4.832   2.312   3.883 -1.3163 -0.8751  0.7882
+ 3896TIP3    H213137   4.796   2.172   3.837 -0.5357 -0.9768  0.4713
+ 3897TIP3   OH213138   1.331   1.579   2.256  0.0938  0.1095 -0.2220
+ 3897TIP3    H113139   1.242   1.558   2.282  0.4486  1.2643  2.0950
+ 3897TIP3    H213140   1.340   1.545   2.167 -2.9994  0.9811 -0.9106
+ 3898TIP3   OH213141   1.212   1.408   3.624  0.3469  0.2451 -0.1413
+ 3898TIP3    H113142   1.254   1.398   3.538 -0.2959 -0.9658 -0.3266
+ 3898TIP3    H213143   1.173   1.322   3.642 -1.1696  1.0476  0.4892
+ 3899TIP3   OH213144   1.731   0.198   5.171  0.1519  0.1503  0.1268
+ 3899TIP3    H113145   1.677   0.233   5.100 -0.1429 -1.1371 -0.3003
+ 3899TIP3    H213146   1.820   0.200   5.136 -0.0230 -0.7185 -0.3885
+ 3900TIP3   OH213147   1.025   5.170   4.857 -0.3517 -0.2649 -0.8613
+ 3900TIP3    H113148   0.949   5.208   4.815 -0.0812 -0.5627 -1.6242
+ 3900TIP3    H213149   1.063   5.112   4.791  0.6505  0.0303 -0.5546
+ 3901TIP3   OH213150   0.258   0.878   4.766  0.1258 -0.0955  0.0400
+ 3901TIP3    H113151   0.174   0.912   4.735  0.8932  1.1066 -0.7767
+ 3901TIP3    H213152   0.247   0.783   4.767 -2.4342  0.1304  3.3098
+ 3902TIP3   OH213153   5.540   3.582   2.752  0.1769  0.2966  0.0549
+ 3902TIP3    H113154   5.451   3.587   2.716 -0.3292 -1.0447  1.0650
+ 3902TIP3    H213155   5.582   3.663   2.724 -0.9336  0.3249 -1.5796
+ 3903TIP3   OH213156   5.217   2.244   4.453 -0.5679 -0.0552 -0.5192
+ 3903TIP3    H113157   5.304   2.280   4.442 -0.2483 -0.0176  1.8172
+ 3903TIP3    H213158   5.205   2.185   4.379  0.9674  0.8349 -1.4874
+ 3904TIP3   OH213159   4.803   5.236   4.113  0.2952  0.0910  0.2541
+ 3904TIP3    H113160   4.723   5.232   4.165 -0.0574  0.1314 -0.2781
+ 3904TIP3    H213161   4.820   5.329   4.102 -0.8945  0.1109 -1.6108
+ 3905TIP3   OH213162   1.513   3.155   6.350  0.0729  0.2309  0.1053
+ 3905TIP3    H113163   1.424   3.124   6.370 -0.4128  1.6158  0.1636
+ 3905TIP3    H213164   1.569   3.079   6.364 -0.8469 -0.1087  2.1382
+ 3906TIP3   OH213165   6.584   4.543   2.785  0.2971  0.1315 -0.1052
+ 3906TIP3    H113166   6.532   4.467   2.760  1.2146 -0.9354  1.1564
+ 3906TIP3    H213167   6.521   4.615   2.790 -0.5860 -0.5542 -1.2366
+ 3907TIP3   OH213168   2.705   2.457   1.552 -0.3050 -0.3229  0.0372
+ 3907TIP3    H113169   2.667   2.370   1.564  0.1052 -0.6181 -0.7653
+ 3907TIP3    H213170   2.680   2.483   1.463  1.4107 -0.5527 -0.5336
+ 3908TIP3   OH213171   0.851   1.887   2.024  0.0012  0.1404 -0.0672
+ 3908TIP3    H113172   0.920   1.918   1.964  0.4910 -0.5939  0.1125
+ 3908TIP3    H213173   0.801   1.823   1.973 -0.8907  1.0669 -0.3737
+ 3909TIP3   OH213174   5.903   3.858   3.695 -0.3903 -0.2272 -0.3086
+ 3909TIP3    H113175   5.984   3.819   3.727 -1.2756 -1.2503  0.7276
+ 3909TIP3    H213176   5.872   3.911   3.769 -0.5004  0.4322 -0.8228
+ 3910TIP3   OH213177   2.255   2.636   3.144  0.1216 -0.0231  0.7337
+ 3910TIP3    H113178   2.280   2.577   3.073  1.4944  0.3036  0.9216
+ 3910TIP3    H213179   2.201   2.703   3.101 -0.4101 -0.7314  0.2989
+ 3911TIP3   OH213180   1.896   0.389   3.040  0.0345 -0.2872 -0.0365
+ 3911TIP3    H113181   1.910   0.479   3.068 -0.0460 -0.8591  1.9480
+ 3911TIP3    H213182   1.939   0.336   3.108  0.9245 -1.7180 -1.6749
+ 3912TIP3   OH213183   6.675   2.177   4.136 -0.2279 -0.5004  1.2469
+ 3912TIP3    H113184   6.754   2.156   4.086 -0.9458  2.2077 -1.1557
+ 3912TIP3    H213185   6.603   2.139   4.085 -0.7778  0.1375  1.5464
+ 3913TIP3   OH213186   6.450   2.209   1.945 -0.7605 -0.3866  0.2429
+ 3913TIP3    H113187   6.405   2.146   1.889  1.2008 -0.2406 -1.5658
+ 3913TIP3    H213188   6.481   2.276   1.885  0.3111  0.4193  1.6836
+ 3914TIP3   OH213189   2.260   2.495   1.975 -0.2374  0.5151 -0.1306
+ 3914TIP3    H113190   2.337   2.524   2.024  1.3828 -0.9145 -1.7411
+ 3914TIP3    H213191   2.243   2.566   1.913  0.4736  0.3695 -0.5022
+ 3915TIP3   OH213192   3.274   2.093   6.613  0.1072  0.1323 -0.3328
+ 3915TIP3    H113193   3.259   2.000   6.631 -0.7788 -0.4651 -3.8334
+ 3915TIP3    H213194   3.368   2.104   6.626  0.7280 -1.9474 -2.6019
+ 3916TIP3   OH213195   5.815   1.332   3.309 -0.0957 -0.1964 -0.0851
+ 3916TIP3    H113196   5.867   1.401   3.269 -2.0397  0.5825 -1.3398
+ 3916TIP3    H213197   5.870   1.254   3.302  1.4181  0.8492 -0.1999
+ 3917TIP3   OH213198   0.594   1.878   0.297 -0.0632 -0.2510 -0.2716
+ 3917TIP3    H113199   0.635   1.825   0.366  0.1820 -2.6119 -2.1619
+ 3917TIP3    H213200   0.512   1.909   0.336  1.6386  1.2755  2.2158
+ 3918TIP3   OH213201   4.475   3.920   0.316  0.1338  0.6649  0.1377
+ 3918TIP3    H113202   4.386   3.893   0.341 -0.4062  1.5361 -0.8031
+ 3918TIP3    H213203   4.527   3.840   0.324 -0.1902  0.6919  3.0983
+ 3919TIP3   OH213204   6.075   2.597   2.193  0.4062 -0.1917 -0.4728
+ 3919TIP3    H113205   5.993   2.583   2.239  1.0920 -1.5304  0.3897
+ 3919TIP3    H213206   6.106   2.509   2.170  2.0689  0.2231  0.0694
+ 3920TIP3   OH213207   2.638   2.541   2.516 -0.0934 -0.2783  0.1943
+ 3920TIP3    H113208   2.677   2.453   2.521  0.9360  0.2221  1.2118
+ 3920TIP3    H213209   2.630   2.558   2.422 -0.5542 -1.5723 -0.0103
+ 3921TIP3   OH213210   1.761   3.652   3.520  0.1016 -0.0170  0.1215
+ 3921TIP3    H113211   1.801   3.567   3.503 -1.8899 -1.1591  0.8835
+ 3921TIP3    H213212   1.739   3.687   3.434 -2.7605 -2.1548 -0.0670
+ 3922TIP3   OH213213   4.598   0.421   0.834 -0.2121  0.1495 -0.2536
+ 3922TIP3    H113214   4.517   0.376   0.809  0.4119 -0.1699 -1.7254
+ 3922TIP3    H213215   4.578   0.459   0.920 -2.1113  0.5534 -0.8465
+ 3923TIP3   OH213216   6.547   5.052   2.885 -0.5432  0.2838 -0.1404
+ 3923TIP3    H113217   6.464   5.097   2.897 -1.1508 -0.7719 -0.3064
+ 3923TIP3    H213218   6.550   5.030   2.792 -0.3324 -0.1657 -0.0307
+ 3924TIP3   OH213219   0.637   2.843   3.765  0.2017  0.2665 -0.1061
+ 3924TIP3    H113220   0.655   2.928   3.805 -0.7264  0.2896  0.2925
+ 3924TIP3    H213221   0.670   2.851   3.676  1.3693  0.5662  0.3507
+ 3925TIP3   OH213222   5.461   5.973   3.928 -0.7930  0.1586  0.2790
+ 3925TIP3    H113223   5.554   5.959   3.947 -0.8786 -1.7687 -0.5992
+ 3925TIP3    H213224   5.415   5.947   4.008 -0.6258  0.4224  0.4626
+ 3926TIP3   OH213225   1.199   4.589   2.966 -0.5862  0.1836 -0.2539
+ 3926TIP3    H113226   1.141   4.660   2.993  2.3487  2.1543  1.2342
+ 3926TIP3    H213227   1.240   4.621   2.885 -1.5423 -1.1764 -1.2920
+ 3927TIP3   OH213228   6.422   2.427   1.768  0.0021 -0.3179  0.2096
+ 3927TIP3    H113229   6.428   2.472   1.683  1.1509  0.6015  0.7457
+ 3927TIP3    H213230   6.418   2.498   1.832 -0.6039 -1.0067  0.9434
+ 3928TIP3   OH213231   6.018   3.795   1.636 -0.2557  0.2800  0.3700
+ 3928TIP3    H113232   6.033   3.871   1.692  0.1736  0.8104 -0.4496
+ 3928TIP3    H213233   6.073   3.810   1.559 -0.6634 -0.5432 -0.0984
+ 3929TIP3   OH213234   0.582   1.513   0.751  0.1832 -0.1246 -0.4972
+ 3929TIP3    H113235   0.617   1.434   0.792 -1.8556 -0.4697  0.6837
+ 3929TIP3    H213236   0.651   1.578   0.759  1.3586 -1.3951 -0.2217
+ 3930TIP3   OH213237   3.456   2.920   1.829  0.1667  0.5650 -0.3175
+ 3930TIP3    H113238   3.395   2.972   1.776  0.3035 -0.1792 -1.2232
+ 3930TIP3    H213239   3.534   2.974   1.835 -0.8106  1.8552  1.4795
+ 3931TIP3   OH213240   1.776   2.184   1.622  0.2587 -0.3019  0.0013
+ 3931TIP3    H113241   1.757   2.240   1.547  1.0390 -0.2059 -0.1320
+ 3931TIP3    H213242   1.816   2.106   1.584  2.3351  0.5132  0.4343
+ 3932TIP3   OH213243   3.048   1.899   3.257 -0.1820  0.5043  0.4392
+ 3932TIP3    H113244   3.002   1.934   3.181 -0.7524 -0.7973  0.1775
+ 3932TIP3    H213245   2.983   1.847   3.304  1.1841 -2.0731 -0.4073
+ 3933TIP3   OH213246   1.589   1.356   1.742  0.4597  0.4450  0.2637
+ 3933TIP3    H113247   1.670   1.312   1.719  0.7794  0.5780  1.0926
+ 3933TIP3    H213248   1.616   1.443   1.771  0.1141  0.2175  1.3093
+ 3934TIP3   OH213249   1.740   1.940   2.686 -0.0052  0.5183 -0.2363
+ 3934TIP3    H113250   1.816   1.984   2.648  0.0304  0.1286 -0.6264
+ 3934TIP3    H213251   1.759   1.934   2.779 -0.4087  2.1276 -0.0296
+ 3935TIP3   OH213252   0.725   0.336   1.819 -0.7483 -0.4497 -0.0021
+ 3935TIP3    H113253   0.735   0.252   1.863 -0.2735 -0.0848  0.5885
+ 3935TIP3    H213254   0.634   0.337   1.790  0.0998 -2.6520 -3.0348
+ 3936TIP3   OH213255   0.485   3.305   4.640 -0.6723  1.0372 -0.1294
+ 3936TIP3    H113256   0.427   3.259   4.580  1.2205 -0.0304 -1.2208
+ 3936TIP3    H213257   0.502   3.389   4.598 -0.1274  0.6832 -0.6291
+ 3937TIP3   OH213258   5.547   3.177   3.975 -0.4766  0.2341 -0.5012
+ 3937TIP3    H113259   5.576   3.097   3.931 -2.3555 -0.6800 -0.1606
+ 3937TIP3    H213260   5.459   3.193   3.941 -1.1973  0.5948  1.4600
+ 3938TIP3   OH213261   0.434   3.755   2.793  0.2258  0.4780 -0.0895
+ 3938TIP3    H113262   0.401   3.732   2.706  1.4434 -1.5989 -0.0184
+ 3938TIP3    H213263   0.382   3.702   2.853 -1.0468  2.3686  0.5490
+ 3939TIP3   OH213264   6.207   0.253   2.672 -0.2576  0.5961  0.0340
+ 3939TIP3    H113265   6.153   0.330   2.688  1.2433  1.9610 -1.3041
+ 3939TIP3    H213266   6.265   0.279   2.600  0.8067 -1.5102  0.1023
+ 3940TIP3   OH213267   0.923   1.665   6.224 -0.5877 -0.3602  0.0913
+ 3940TIP3    H113268   0.888   1.576   6.215 -0.5063 -0.1443 -2.6198
+ 3940TIP3    H213269   0.879   1.715   6.155  1.4826  1.0429 -0.2378
+ 3941TIP3   OH213270   0.441   1.889   1.629  0.3823 -0.3676  0.2344
+ 3941TIP3    H113271   0.520   1.873   1.681  0.4640  1.8765  0.8715
+ 3941TIP3    H213272   0.475   1.914   1.543  0.2754 -2.4146 -0.4354
+ 3942TIP3   OH213273   5.997   3.114   3.914 -0.2176  0.7814  0.0970
+ 3942TIP3    H113274   6.013   3.136   4.006  1.4266  0.6451 -0.1372
+ 3942TIP3    H213275   5.912   3.154   3.894 -0.1352  1.6308  1.4026
+ 3943TIP3   OH213276   3.013   2.426   2.263 -0.1342 -0.3186 -0.0512
+ 3943TIP3    H113277   3.067   2.504   2.250  0.2064 -0.3540  1.0838
+ 3943TIP3    H213278   2.925   2.460   2.280 -0.1189 -0.2024 -0.2074
+ 3944TIP3   OH213279   2.834   3.144   2.957  0.0642  0.1411  0.1709
+ 3944TIP3    H113280   2.783   3.169   2.880  2.1827  0.4060 -1.2132
+ 3944TIP3    H213281   2.854   3.227   3.000  2.0020  0.3634 -1.0846
+ 3945TIP3   OH213282   4.180   1.411   2.630  0.3856 -0.0281 -0.5796
+ 3945TIP3    H113283   4.162   1.398   2.723 -0.6703 -1.0339 -0.9098
+ 3945TIP3    H213284   4.211   1.501   2.624 -1.1614  0.6041  0.5243
+ 3946TIP3   OH213285   1.022   3.175   1.895  0.2308 -0.2096  0.3544
+ 3946TIP3    H113286   1.010   3.107   1.961 -1.0291  0.3006  0.6718
+ 3946TIP3    H213287   0.933   3.195   1.865  0.7438 -0.1165 -1.1844
+ 3947TIP3   OH213288   3.976   3.214   1.709 -0.6277  0.0180 -0.0656
+ 3947TIP3    H113289   3.997   3.161   1.631  1.7107  0.5712  0.1479
+ 3947TIP3    H213290   4.056   3.212   1.761 -1.6422  1.0046  1.5656
+ 3948TIP3   OH213291   2.824   2.952   3.154 -0.5531 -0.5717 -0.5055
+ 3948TIP3    H113292   2.855   3.024   3.099 -0.2822  0.3901  0.8808
+ 3948TIP3    H213293   2.870   2.875   3.122  1.6015  0.4431  0.0665
+ 3949TIP3   OH213294   3.131   2.656   2.200 -0.1703 -0.3931  0.6329
+ 3949TIP3    H113295   3.134   2.745   2.236  1.7733 -0.7751  1.5048
+ 3949TIP3    H213296   3.056   2.657   2.140 -0.5431  1.6530  1.0771
+ 3950TIP3   OH213297   4.242   2.189   1.117  0.2424  0.5021  0.1227
+ 3950TIP3    H113298   4.241   2.164   1.024 -1.3189  0.6164  0.0976
+ 3950TIP3    H213299   4.239   2.284   1.115  0.5246  0.5145  0.2944
+ 3951TIP3   OH213300   3.454   1.735   1.766  0.5967  0.6038  0.8400
+ 3951TIP3    H113301   3.373   1.769   1.805  0.2462 -0.6280  1.2218
+ 3951TIP3    H213302   3.481   1.666   1.826  0.2201 -1.1335 -0.9451
+ 3952TIP3   OH213303   2.921   0.701   2.764  0.2684  0.4930  0.0138
+ 3952TIP3    H113304   2.920   0.659   2.678  1.8339  0.5415 -0.0437
+ 3952TIP3    H213305   3.010   0.687   2.796 -0.3504  0.3296  1.7068
+ 3953TIP3   OH213306   2.250   1.570   2.384 -0.1054 -0.2820  0.0700
+ 3953TIP3    H113307   2.231   1.476   2.391  0.4511 -0.5061 -1.3934
+ 3953TIP3    H213308   2.251   1.587   2.290  0.9784  0.9530  0.3099
+ 3954TIP3   OH213309   5.192   3.616   0.168 -0.2278 -0.3610 -0.2993
+ 3954TIP3    H113310   5.130   3.654   0.106  0.4477 -0.6143 -1.1430
+ 3954TIP3    H213311   5.237   3.548   0.118  1.3213  0.3869  0.0497
+ 3955TIP3   OH213312   2.465   2.430   2.718 -0.2946 -0.0476 -0.3431
+ 3955TIP3    H113313   2.426   2.496   2.660 -0.3443 -0.4306 -0.7503
+ 3955TIP3    H213314   2.546   2.404   2.673 -0.9371 -1.2255 -0.8469
+ 3956TIP3   OH213315   3.768   3.951   1.408  0.2864 -0.5755  0.0410
+ 3956TIP3    H113316   3.739   3.890   1.477 -1.8528  1.9636  1.4521
+ 3956TIP3    H213317   3.688   3.971   1.359  0.7506  1.8821  0.2546
+ 3957TIP3   OH213318   3.565   3.234   2.107  0.2770  0.1399  0.1376
+ 3957TIP3    H113319   3.514   3.159   2.136 -0.5918  0.3987 -0.6772
+ 3957TIP3    H213320   3.510   3.310   2.131  0.3891  0.4313 -0.5283
+ 3958TIP3   OH213321   2.587   2.440   3.108  0.2044 -0.1680  0.2520
+ 3958TIP3    H113322   2.509   2.446   3.053  0.5062 -1.2812 -0.3275
+ 3958TIP3    H213323   2.555   2.451   3.197 -0.6622 -0.8960  0.0444
+ 3959TIP3   OH213324   4.987   2.035   0.890  0.2876  0.0652  0.2400
+ 3959TIP3    H113325   4.984   2.029   0.795  0.6901  0.3805  0.2049
+ 3959TIP3    H213326   4.932   1.963   0.921  1.0305 -0.7112 -0.2279
+ 3960TIP3   OH213327   4.217   0.484   1.335 -0.1432  0.3155  0.2191
+ 3960TIP3    H113328   4.286   0.540   1.302  0.6615 -0.5112  0.4910
+ 3960TIP3    H213329   4.201   0.420   1.265  0.5763 -0.5586  0.8374
+ 3961TIP3   OH213330   1.616   2.204   4.255  0.1286 -0.4895  0.0977
+ 3961TIP3    H113331   1.655   2.249   4.330  0.3635 -1.4538  0.5564
+ 3961TIP3    H213332   1.660   2.119   4.252  0.9617 -0.0073 -1.8569
+ 3962TIP3   OH213333   2.795   2.152   1.842  0.8132  0.0967 -0.0959
+ 3962TIP3    H113334   2.878   2.187   1.809  1.3308  1.0480  2.1089
+ 3962TIP3    H213335   2.772   2.211   1.914 -1.9172 -0.0160 -0.8230
+ 3963TIP3   OH213336   2.404   2.244   1.739  0.1243  0.1258 -0.2794
+ 3963TIP3    H113337   2.408   2.226   1.833  0.5401  0.6346 -0.1997
+ 3963TIP3    H213338   2.404   2.340   1.732  0.6116  0.0924 -0.8185
+ 3964TIP3   OH213339   1.777   2.283   1.876  0.1860  0.0637  0.4631
+ 3964TIP3    H113340   1.869   2.294   1.901 -0.4644  1.9242  2.1935
+ 3964TIP3    H213341   1.780   2.244   1.789  2.6154  0.6989  0.2246
+ 3965TIP3   OH213342   4.797   0.785   0.800  0.0343 -0.1817  0.5834
+ 3965TIP3    H113343   4.849   0.731   0.860 -0.5735 -0.5504  0.7737
+ 3965TIP3    H213344   4.768   0.725   0.732  0.7601  0.2469 -0.1178
+ 3966TIP3   OH213345   2.832   2.157   3.132  0.2034 -0.1852 -0.1832
+ 3966TIP3    H113346   2.858   2.227   3.192  0.7314 -0.2807 -0.3059
+ 3966TIP3    H213347   2.739   2.144   3.150  0.3270 -0.1104  0.5057
+ 3967TIP3   OH213348   2.793   2.848   1.686 -0.0743  0.1255  0.4910
+ 3967TIP3    H113349   2.790   2.794   1.765  4.1394  0.5149  1.0412
+ 3967TIP3    H213350   2.852   2.801   1.627 -2.3713  0.3438 -2.0752
+ 3968TIP3   OH213351   3.959   1.822   2.197  0.0431 -0.5597 -0.0111
+ 3968TIP3    H113352   3.899   1.789   2.130  0.7261 -2.2538  0.1965
+ 3968TIP3    H213353   4.041   1.839   2.150  0.0841 -0.3936  0.1221
+ 3969TIP3   OH213354   1.840   1.514   3.014 -0.0961 -0.9365  0.0529
+ 3969TIP3    H113355   1.893   1.436   2.997  1.6052 -0.3655  2.4023
+ 3969TIP3    H213356   1.755   1.479   3.043  0.1292 -1.8908 -0.4256
+ 3970TIP3   OH213357   4.150   0.826   4.473  0.0138 -0.4458  0.0206
+ 3970TIP3    H113358   4.062   0.848   4.443 -0.0286  0.2560  0.6484
+ 3970TIP3    H213359   4.183   0.907   4.511  0.2764 -1.1641  1.3449
+ 3971TIP3   OH213360   1.870   0.863   2.940 -0.0237 -0.4985  0.1862
+ 3971TIP3    H113361   1.875   0.821   3.026  0.5831  2.5598  1.7189
+ 3971TIP3    H213362   1.961   0.882   2.918 -0.2430 -0.5597 -0.7849
+ 3972TIP3   OH213363   3.215   1.648   3.266 -0.1022 -0.6772  0.3871
+ 3972TIP3    H113364   3.162   1.724   3.290  1.2332  0.1028  0.9007
+ 3972TIP3    H213365   3.151   1.582   3.237 -1.3971  0.0167  1.5971
+ 3973TIP3   OH213366   2.554   3.036   2.946 -0.7235  0.1087 -0.4318
+ 3973TIP3    H113367   2.540   3.129   2.928 -0.4740  0.4036  0.8517
+ 3973TIP3    H213368   2.640   3.017   2.910 -0.8167  0.3506 -0.7810
+ 3974TIP3   OH213369   4.620   3.240   1.339 -0.8605 -0.0039 -0.3219
+ 3974TIP3    H113370   4.576   3.167   1.295  1.3339 -1.9817  0.6612
+ 3974TIP3    H213371   4.682   3.273   1.274 -0.4823 -0.2842 -0.1044
+ 3975TIP3   OH213372   2.596   2.139   3.345  0.1720  0.2168 -0.5527
+ 3975TIP3    H113373   2.643   2.217   3.376 -0.2894 -0.4261  1.8568
+ 3975TIP3    H213374   2.503   2.163   3.353  0.0380 -0.3197 -0.5066
+ 3976TIP3   OH213375   2.775   2.899   2.788  0.3389 -0.0141  0.7734
+ 3976TIP3    H113376   2.840   2.956   2.748 -0.8924  0.2518 -0.9035
+ 3976TIP3    H213377   2.819   2.861   2.864  2.4795  0.0240 -0.4327
+ 3977TIP3   OH213378   2.902   3.352   2.643 -0.1797  0.1813 -0.2298
+ 3977TIP3    H113379   2.815   3.343   2.682  0.5072  1.3137  1.6227
+ 3977TIP3    H213380   2.919   3.446   2.645  1.2433 -0.0714 -0.2612
+ 3978TIP3   OH213381   3.474   3.048   2.333 -0.4002 -0.0857  0.3415
+ 3978TIP3    H113382   3.523   3.120   2.372  0.2817 -0.9927  1.2048
+ 3978TIP3    H213383   3.401   3.033   2.392 -0.7078  0.0900  0.0065
+ 3979TIP3   OH213384   3.146   5.291   2.025  0.1023 -0.1063 -1.0749
+ 3979TIP3    H113385   3.222   5.329   2.069 -0.6506 -0.6406  0.7364
+ 3979TIP3    H213386   3.121   5.356   1.959 -0.3263  1.9355  1.0293
+ 3980TIP3   OH213387   4.103   0.258   0.335 -0.1316 -0.1869 -0.6130
+ 3980TIP3    H113388   4.151   0.180   0.307 -1.4351 -0.2632 -2.8305
+ 3980TIP3    H213389   4.166   0.329   0.328  0.6462 -0.8028 -0.0250
+ 3981TIP3   OH213390   2.138   6.506   3.384  0.1885  0.4239 -0.0497
+ 3981TIP3    H113391   2.057   6.547   3.354 -0.4728  0.1796  1.3857
+ 3981TIP3    H213392   2.208   6.560   3.346 -0.6340  0.6169 -1.3110
+ 3982TIP3   OH213393   2.980   3.477   0.786  0.0355  0.4496  0.2909
+ 3982TIP3    H113394   2.924   3.411   0.827  1.7135 -0.9258  0.4235
+ 3982TIP3    H213395   2.937   3.496   0.702  0.0291 -1.5423 -0.1859
+ 3983TIP3   OH213396   3.108   2.899   2.327 -0.1614 -0.2208 -0.0717
+ 3983TIP3    H113397   3.027   2.949   2.343  1.0786  2.8041 -2.5747
+ 3983TIP3    H213398   3.172   2.938   2.386  0.7695  1.1336 -1.9070
+ 3984TIP3   OH213399   2.503   1.939   3.054  0.6300  0.3026 -0.0907
+ 3984TIP3    H113400   2.470   1.872   2.993  1.2440 -0.4470  0.3859
+ 3984TIP3    H213401   2.509   2.018   3.002 -2.0560  0.4939 -0.1562
+ 3985TIP3   OH213402   2.982   3.094   2.708  0.1090 -0.1764 -0.9861
+ 3985TIP3    H113403   3.077   3.105   2.716  0.0924  0.9806 -2.2061
+ 3985TIP3    H213404   2.947   3.183   2.719 -0.7519 -0.4388 -1.5720
+ 3986TIP3   OH213405   3.501   3.288   1.800 -0.1190  0.2295 -0.5429
+ 3986TIP3    H113406   3.444   3.253   1.731 -1.0849 -0.6708  0.7026
+ 3986TIP3    H213407   3.442   3.333   1.859  0.5564 -0.0115  0.3222
+ 3987TIP3   OH213408   0.885   1.763   3.424  0.5243  0.1391  0.3026
+ 3987TIP3    H113409   0.876   1.752   3.330  0.1745 -0.4738  0.4097
+ 3987TIP3    H213410   0.978   1.785   3.437  0.5103  0.5036 -0.2069
+ 3988TIP3   OH213411   1.349   1.311   1.600  0.4171 -0.1527 -0.1461
+ 3988TIP3    H113412   1.421   1.300   1.662  1.5102 -0.3134 -1.4349
+ 3988TIP3    H213413   1.387   1.357   1.525 -1.3382  1.7619  0.0757
+ 3989TIP3   OH213414   1.113   0.352   1.572  0.1373  0.4341 -0.2322
+ 3989TIP3    H113415   1.193   0.376   1.619  0.0736 -0.2295  0.2159
+ 3989TIP3    H213416   1.097   0.426   1.513  2.1047 -0.2043 -1.6249
+ 3990TIP3   OH213417   4.626   1.195   1.892 -0.3104  0.4633  0.2800
+ 3990TIP3    H113418   4.599   1.187   1.801 -0.4507 -1.2606  0.4649
+ 3990TIP3    H213419   4.591   1.280   1.920  0.1530  1.2240 -1.3939
+ 3991TIP3   OH213420   2.904   1.980   6.622 -0.3376  0.3771 -0.3235
+ 3991TIP3    H113421   2.938   2.066   6.597 -2.1584  1.3257  0.3708
+ 3991TIP3    H213422   2.955   1.956   6.699  1.6684 -0.1724 -1.7802
+ 3992TIP3   OH213423   2.404   1.771   6.795 -1.0620 -0.2689  0.0792
+ 3992TIP3    H113424   2.311   1.793   6.794 -1.2619 -0.9685  1.7914
+ 3992TIP3    H213425   2.422   1.748   6.886  0.9214  0.4204 -0.1158
+ 3993TIP3   OH213426   1.136   2.647   1.127 -0.3570  0.4077  1.3244
+ 3993TIP3    H113427   1.226   2.619   1.107 -0.3902 -0.2692  2.1228
+ 3993TIP3    H213428   1.140   2.742   1.123 -0.1318  0.3420 -0.9755
+ 3994TIP3   OH213429   3.240   3.539   1.816  0.2004  0.5020 -1.1069
+ 3994TIP3    H113430   3.176   3.487   1.767 -0.2177 -0.2026  0.1648
+ 3994TIP3    H213431   3.249   3.493   1.900  0.3699  2.0871 -0.2404
+ 3995TIP3   OH213432   4.102   2.263   1.943  0.1089 -0.4002 -0.6592
+ 3995TIP3    H113433   4.096   2.249   2.038  0.3290  1.2967 -0.3681
+ 3995TIP3    H213434   4.152   2.345   1.934 -0.4390 -0.2180 -2.2165
+ 3996TIP3   OH213435   2.735   3.100   3.397  0.3670 -0.1766  0.1458
+ 3996TIP3    H113436   2.796   3.040   3.440  0.3537 -0.6624 -0.5025
+ 3996TIP3    H213437   2.746   3.082   3.303  0.4756  0.9445 -0.0632
+ 3997TIP3   OH213438   3.186   0.499   0.656  0.6189 -0.3040 -0.0054
+ 3997TIP3    H113439   3.176   0.443   0.734  0.8890 -1.1824 -0.5947
+ 3997TIP3    H213440   3.241   0.448   0.597  0.0082  0.1501 -0.9846
+ 3998TIP3   OH213441   2.737   2.484   2.855  0.6765 -0.5152  0.4844
+ 3998TIP3    H113442   2.664   2.512   2.800  0.8110  1.0398  1.0749
+ 3998TIP3    H213443   2.696   2.453   2.935  0.5854 -0.9513  0.2680
+ 3999TIP3   OH213444   2.555   2.886   3.196  0.3931  0.6303 -0.6043
+ 3999TIP3    H113445   2.648   2.912   3.200  0.8298 -0.8485 -0.8707
+ 3999TIP3    H213446   2.525   2.920   3.112  0.6635  1.2193 -0.4683
+ 4000TIP3   OH213447   3.042   2.942   2.968  0.1550 -0.2626  0.1296
+ 4000TIP3    H113448   2.981   3.005   2.928  0.8038 -0.0556 -0.5487
+ 4000TIP3    H213449   3.129   2.975   2.945  0.5204 -0.8809  0.5970
+ 4001TIP3   OH213450   1.036   1.650   3.833  0.0454  0.2195  0.0840
+ 4001TIP3    H113451   1.125   1.673   3.807  0.0592  1.5507  1.2485
+ 4001TIP3    H213452   1.037   1.555   3.844  0.6146 -0.1079 -2.5075
+ 4002TIP3   OH213453   2.749   1.792   2.566 -0.1335  0.2922 -0.1697
+ 4002TIP3    H113454   2.659   1.761   2.577  0.2236 -0.7984 -0.2552
+ 4002TIP3    H213455   2.754   1.871   2.620 -0.2842 -1.3398  2.3331
+ 4003TIP3   OH213456   2.736   2.787   3.467  0.4315  0.2888 -0.2211
+ 4003TIP3    H113457   2.808   2.787   3.405  0.3835 -0.2307 -0.2758
+ 4003TIP3    H213458   2.657   2.783   3.414  0.4284 -2.1679 -0.0946
+ 4004TIP3   OH213459   2.590   2.817   2.593 -0.2201  0.3642  0.1362
+ 4004TIP3    H113460   2.628   2.730   2.584  1.2142  1.0288 -0.4387
+ 4004TIP3    H213461   2.649   2.863   2.652 -0.2203  1.3576 -0.6204
+ 4005TIP3   OH213462   2.902   3.061   2.461  0.2835 -0.2626  0.2020
+ 4005TIP3    H113463   2.807   3.056   2.471  0.3504 -0.2777  0.7962
+ 4005TIP3    H213464   2.936   3.059   2.550  0.7889  0.8865  0.0398
+ 4006TIP3   OH213465   3.317   2.101   2.577 -0.1393 -0.7231  0.5060
+ 4006TIP3    H113466   3.378   2.029   2.558  0.2711 -0.6100  1.3523
+ 4006TIP3    H213467   3.372   2.179   2.578 -0.4848 -0.4754  0.1933
+ 4007TIP3   OH213468   2.684   4.921   3.958 -0.0632  0.5758  0.1605
+ 4007TIP3    H113469   2.738   4.982   4.009 -0.1963  1.8650 -1.2035
+ 4007TIP3    H213470   2.594   4.946   3.979 -0.1265 -0.1082  0.7141
+ 4008TIP3   OH213471   3.583   4.376   0.571 -0.4412 -0.0738 -0.3004
+ 4008TIP3    H113472   3.645   4.308   0.547  0.4643  0.6278  0.0106
+ 4008TIP3    H213473   3.501   4.350   0.529  0.3673 -0.3834 -1.7212
+ 4009TIP3   OH213474   4.102   1.586   0.007 -0.0652 -0.1001 -0.2800
+ 4009TIP3    H113475   4.137   1.502  -0.022 -0.2346 -0.0222 -0.7136
+ 4009TIP3    H213476   4.059   1.568   0.090  0.5085 -0.3093 -0.0306
+ 4010TIP3   OH213477   4.267   1.751   1.802  0.5080  0.2460 -0.3314
+ 4010TIP3    H113478   4.302   1.824   1.852 -1.4556 -0.0773  1.5785
+ 4010TIP3    H213479   4.206   1.790   1.739 -1.8772  0.1709  1.8595
+ 4011TIP3   OH213480   4.609   1.640   2.891  0.0198  0.4640  0.2576
+ 4011TIP3    H113481   4.666   1.569   2.863 -0.3896  0.2595 -0.0614
+ 4011TIP3    H213482   4.528   1.628   2.841 -0.5017  0.4490  1.0872
+ 4012TIP3   OH213483   4.890   2.206   1.727 -0.3249  0.4421  0.3038
+ 4012TIP3    H113484   4.958   2.141   1.746 -0.9802 -0.3635 -0.0742
+ 4012TIP3    H213485   4.824   2.192   1.795 -0.5145  0.6412  0.1615
+ 4013TIP3   OH213486   1.386   3.683   1.658 -0.0046  0.1073  0.6291
+ 4013TIP3    H113487   1.334   3.763   1.648  0.1772 -0.0594 -2.1299
+ 4013TIP3    H213488   1.430   3.693   1.743 -1.3443  2.1148  1.1202
+ 4014TIP3   OH213489   1.847   1.704   3.771 -0.0758 -0.2515 -0.0713
+ 4014TIP3    H113490   1.828   1.624   3.721 -1.6652  0.8319 -1.2579
+ 4014TIP3    H213491   1.834   1.678   3.862  3.3853 -2.4065 -0.1041
+ 4015TIP3   OH213492   4.961   1.304   6.366  0.3091  0.2533 -1.0266
+ 4015TIP3    H113493   4.931   1.355   6.441  1.0168  1.2026 -1.3739
+ 4015TIP3    H213494   4.888   1.307   6.304 -0.1234 -0.1989 -0.5350
+ 4016TIP3   OH213495   4.462   2.858   2.170  0.3604  0.2361  0.1368
+ 4016TIP3    H113496   4.468   2.846   2.265  0.8922  0.2396  0.1048
+ 4016TIP3    H213497   4.539   2.815   2.135  0.8242  1.3122 -0.1966
+ 4017TIP3   OH213498   3.534   2.690   0.773 -0.0050  0.1997 -0.4053
+ 4017TIP3    H113499   3.572   2.724   0.691  1.0691 -2.4029 -1.0327
+ 4017TIP3    H213500   3.600   2.711   0.839  0.2226  0.1928 -0.6246
+ 4018TIP3   OH213501   2.112   0.365   3.279 -0.4106 -0.0221  0.4796
+ 4018TIP3    H113502   2.135   0.366   3.372 -0.7412  1.3805  0.5588
+ 4018TIP3    H213503   2.103   0.457   3.256  0.6991 -0.3132 -1.2053
+ 4019TIP3   OH213504   2.396   2.191   2.003 -0.4553  0.0502 -0.1860
+ 4019TIP3    H113505   2.408   2.113   2.058 -1.4830 -0.2449 -0.3872
+ 4019TIP3    H213506   2.347   2.252   2.058 -1.3192 -0.1708 -0.7132
+ 4020TIP3   OH213507   2.657   1.268   1.648 -0.0588  0.8996  0.2238
+ 4020TIP3    H113508   2.697   1.192   1.605 -0.1987  1.2059 -0.4378
+ 4020TIP3    H213509   2.726   1.299   1.707  0.5377  1.1635 -0.6009
+ 4021TIP3   OH213510   1.156   1.149   1.510 -0.4225  0.0574  0.0883
+ 4021TIP3    H113511   1.079   1.206   1.517 -0.9514 -0.8001  1.5157
+ 4021TIP3    H213512   1.226   1.200   1.552 -1.0916 -0.6394  2.1473
+ 4022TIP3   OH213513   3.615   2.863   2.170 -0.3124  0.2916  0.3416
+ 4022TIP3    H113514   3.562   2.916   2.229  0.2173  0.8809  0.2851
+ 4022TIP3    H213515   3.551   2.808   2.124 -0.8925  1.1498  0.1189
+ 4023TIP3   OH213516   1.350   4.149   2.236  0.5796  0.3926  0.4318
+ 4023TIP3    H113517   1.309   4.190   2.312  1.2491  0.5563  0.7116
+ 4023TIP3    H213518   1.420   4.209   2.210  1.2882 -0.3433  0.5791
+ 4024TIP3   OH213519   1.445   1.021   2.046  0.1716 -0.4351  0.9605
+ 4024TIP3    H113520   1.469   1.114   2.039  0.7681 -0.3325  3.5934
+ 4024TIP3    H213521   1.497   0.989   2.120  0.1822 -2.9490 -0.1118
+ 4025TIP3   OH213522   2.803   0.495   5.627  0.7619 -0.3521  0.3790
+ 4025TIP3    H113523   2.795   0.590   5.620  1.5531 -0.1579  1.7906
+ 4025TIP3    H213524   2.739   0.460   5.565 -1.4862  1.1004  1.8107
+ 4026TIP3   OH213525   1.576   4.638   2.930 -0.0897  0.2194 -0.3420
+ 4026TIP3    H113526   1.646   4.694   2.896  1.5247 -1.5223  0.0832
+ 4026TIP3    H213527   1.576   4.561   2.874  0.9322 -1.5488  2.0116
+ 4027TIP3   OH213528   5.879   1.944   1.955  0.4534 -0.1281  0.5471
+ 4027TIP3    H113529   5.932   1.974   1.881  1.0398  1.1432  1.4777
+ 4027TIP3    H213530   5.799   1.997   1.950  0.4625 -0.0921  0.7912
+ 4028TIP3   OH213531   6.462   2.028   3.186  0.8996 -0.8466  0.0700
+ 4028TIP3    H113532   6.443   2.102   3.243  1.6011 -1.3309  0.9536
+ 4028TIP3    H213533   6.460   1.952   3.245  0.9713 -1.4379 -0.6802
+ 4029TIP3   OH213534   4.621   2.425   3.430 -0.1371  0.1747 -0.0048
+ 4029TIP3    H113535   4.708   2.388   3.410 -1.3743 -2.3207 -0.9950
+ 4029TIP3    H213536   4.563   2.384   3.366 -2.3644  0.3831  1.8489
+ 4030TIP3   OH213537   1.080   1.441   4.370  0.3620  0.6516 -0.4266
+ 4030TIP3    H113538   1.038   1.457   4.286  0.0978 -1.2482 -0.6694
+ 4030TIP3    H213539   1.016   1.472   4.435 -0.9234 -1.1160 -0.8314
+ 4031TIP3   OH213540   4.442   0.292   2.430 -0.0334  0.7854  0.0912
+ 4031TIP3    H113541   4.460   0.384   2.412 -1.1069  1.2947  1.5314
+ 4031TIP3    H213542   4.517   0.245   2.394  1.7472  2.4308  1.5820
+ 4032TIP3   OH213543   5.088   2.388   3.455 -0.3958  0.3865  0.7295
+ 4032TIP3    H113544   5.136   2.331   3.396 -1.7384 -1.5755  1.4670
+ 4032TIP3    H213545   5.130   2.375   3.540  1.3952  3.0371  0.3080
+ 4033TIP3   OH213546   0.293   2.249   2.348  0.1281  0.5434  0.7840
+ 4033TIP3    H113547   0.237   2.188   2.396 -0.6772  1.6570  1.2845
+ 4033TIP3    H213548   0.237   2.284   2.279  0.1062  1.8424  1.4344
+ 4034TIP3   OH213549   4.626   2.759   2.703 -0.1260  0.0041  0.5440
+ 4034TIP3    H113550   4.585   2.677   2.733 -0.6039  0.4911  1.2277
+ 4034TIP3    H213551   4.713   2.732   2.673 -0.8728 -1.0146 -0.7795
+ 4035TIP3   OH213552   6.649   3.316   2.210  0.7264 -0.1753 -0.6375
+ 4035TIP3    H113553   6.668   3.255   2.282 -0.3195  0.4233  0.1527
+ 4035TIP3    H213554   6.576   3.369   2.242  1.3546  1.2221 -1.4768
+ 4036TIP3   OH213555   6.003   1.334   0.916  0.1481 -0.6793  0.3948
+ 4036TIP3    H113556   6.052   1.330   0.998 -0.9475  0.7319  1.1374
+ 4036TIP3    H213557   6.064   1.370   0.852  0.8528 -1.3323  0.6975
+ 4037TIP3   OH213558   5.646   2.912   2.670 -0.4399 -0.1145 -0.4645
+ 4037TIP3    H113559   5.651   2.881   2.580 -0.7592  0.5307 -0.7036
+ 4037TIP3    H213560   5.733   2.950   2.687 -0.7318  0.7209 -0.8466
+ 4038TIP3   OH213561   3.866   0.839   3.502  0.0429  0.1279 -0.1227
+ 4038TIP3    H113562   3.904   0.899   3.566  1.3173  0.6351 -1.3291
+ 4038TIP3    H213563   3.825   0.897   3.438 -0.5545 -0.3565 -0.1742
+ 4039TIP3   OH213564   5.832   2.563   5.584 -0.4305  0.4450  0.4286
+ 4039TIP3    H113565   5.913   2.572   5.634  0.7277  0.1899 -1.3618
+ 4039TIP3    H213566   5.823   2.469   5.571 -0.5837  0.5317 -0.0757
+ 4040TIP3   OH213567   0.142   2.946   4.417  1.1293  0.5979  0.1343
+ 4040TIP3    H113568   0.233   2.918   4.416  0.8167 -0.4728 -0.2703
+ 4040TIP3    H213569   0.092   2.864   4.424  0.2595  1.3132  2.8035
+ 4041TIP3   OH213570   5.097   4.847   3.105 -0.3596  0.1999  0.5906
+ 4041TIP3    H113571   5.081   4.844   3.199  2.3346  1.2496  1.1282
+ 4041TIP3    H213572   5.094   4.941   3.084 -1.9159 -0.0916 -0.5721
+ 4042TIP3   OH213573   5.749   5.677   2.400  0.2154 -0.5709 -0.0059
+ 4042TIP3    H113574   5.817   5.637   2.345 -0.6285 -0.7093 -0.9750
+ 4042TIP3    H213575   5.684   5.608   2.410 -1.1447  0.4605 -1.5030
+ 4043TIP3   OH213576   4.829   2.529   4.111 -0.6775  0.3894 -0.0466
+ 4043TIP3    H113577   4.870   2.537   4.197 -2.3210  1.3935  0.6657
+ 4043TIP3    H213578   4.891   2.572   4.051  1.3354 -1.8977  0.3182
+ 4044TIP3   OH213579   4.424   2.368   3.193 -0.1508 -0.1231 -0.3897
+ 4044TIP3    H113580   4.384   2.444   3.235 -1.6573 -1.2980  0.3705
+ 4044TIP3    H213581   4.411   2.382   3.099 -2.0948 -0.3348 -0.1677
+ 4045TIP3   OH213582   5.366   1.056   2.420 -0.3463  0.2349  0.0166
+ 4045TIP3    H113583   5.383   1.006   2.500  2.4319 -0.0409 -0.7085
+ 4045TIP3    H213584   5.401   1.143   2.438 -0.2266  0.3385 -0.6919
+ 4046TIP3   OH213585   6.239   1.313   0.715  0.2010  0.2431  0.2614
+ 4046TIP3    H113586   6.327   1.316   0.678 -0.4158 -1.7765 -1.5116
+ 4046TIP3    H213587   6.207   1.403   0.710  1.7103  0.7667 -0.1934
+ 4047TIP3   OH213588   4.622   2.529   1.556 -0.0540 -0.4333  0.2944
+ 4047TIP3    H113589   4.575   2.537   1.473 -0.3553  0.1644  0.5217
+ 4047TIP3    H213590   4.691   2.596   1.551  1.4855 -2.0501 -0.5100
+ 4048TIP3   OH213591   6.664   0.362   0.953  0.1139  0.1064  0.1211
+ 4048TIP3    H113592   6.646   0.417   0.877  1.3507  0.2718 -0.0552
+ 4048TIP3    H213593   6.749   0.323   0.935 -0.6156 -1.6413  0.3843
+ 4049TIP3   OH213594   6.749   2.856   1.304 -0.4925 -0.3366  0.1398
+ 4049TIP3    H113595   6.750   2.895   1.391  0.5399  2.1868 -0.9505
+ 4049TIP3    H213596   6.842   2.842   1.283 -0.8252 -3.6531  0.5626
+ 4050TIP3   OH213597   5.668   2.332   1.814 -0.0459  0.0205 -0.2898
+ 4050TIP3    H113598   5.646   2.239   1.813  0.2487 -0.1337  2.6246
+ 4050TIP3    H213599   5.763   2.334   1.825  0.0204  0.6650 -0.9875
+ 4051TIP3   OH213600   4.051   3.075   1.485 -0.3404  0.1525 -0.1765
+ 4051TIP3    H113601   3.996   3.100   1.410 -0.3123  0.5363 -0.0697
+ 4051TIP3    H213602   4.140   3.097   1.458 -0.5051  1.8508  0.6073
+ 4052TIP3   OH213603   5.492   6.572   0.696  0.3346 -0.5137  0.1392
+ 4052TIP3    H113604   5.428   6.602   0.760 -0.9197  0.0685 -1.3403
+ 4052TIP3    H213605   5.447   6.503   0.648 -0.0993  1.4937 -2.4876
+ 4053TIP3   OH213606   5.217   2.312   2.096  0.7682  0.1569 -0.3820
+ 4053TIP3    H113607   5.170   2.385   2.136  1.4937 -0.6934  2.0987
+ 4053TIP3    H213608   5.301   2.350   2.069  0.9373  0.3890  0.4336
+ 4054TIP3   OH213609   4.650   2.482   1.819 -0.1007 -0.2701 -0.2854
+ 4054TIP3    H113610   4.670   2.494   1.727 -0.7560  0.4490 -0.3442
+ 4054TIP3    H213611   4.732   2.454   1.859  0.2283 -0.3842 -1.0495
+ 4055TIP3   OH213612   4.705   0.811   3.922  0.4774 -0.2934 -0.4802
+ 4055TIP3    H113613   4.775   0.819   3.857  0.5016  0.7850 -0.3436
+ 4055TIP3    H213614   4.750   0.817   4.006  0.5089 -2.2400 -0.3412
+ 4056TIP3   OH213615   5.535   1.584   1.175  0.0267 -0.0638  0.3972
+ 4056TIP3    H113616   5.508   1.563   1.265 -0.8418  0.4491  0.2616
+ 4056TIP3    H213617   5.620   1.626   1.185  0.8623 -1.8062  0.8267
+ 4057TIP3   OH213618   6.122   4.107   4.776 -0.0089  0.1920 -0.4346
+ 4057TIP3    H113619   6.149   4.088   4.687  0.6938 -0.8688 -0.0101
+ 4057TIP3    H213620   6.091   4.023   4.810 -0.8479  0.7161  0.1191
+ 4058TIP3   OH213621   5.565   3.214   4.251 -0.4967  0.1591 -0.2504
+ 4058TIP3    H113622   5.567   3.184   4.160 -0.0583 -0.8419  0.0833
+ 4058TIP3    H213623   5.656   3.210   4.280 -0.6145  0.6201  0.1899
+ 4059TIP3   OH213624   5.675   3.640   2.185 -0.4574 -0.9270 -0.1379
+ 4059TIP3    H113625   5.720   3.601   2.260  2.1585  0.8752 -0.7043
+ 4059TIP3    H213626   5.681   3.735   2.200 -3.1068 -0.6289 -0.8056
+ 4060TIP3   OH213627   1.336   3.821   1.370 -0.1780 -0.1648 -0.3186
+ 4060TIP3    H113628   1.421   3.780   1.386  0.9687  1.6045 -1.6621
+ 4060TIP3    H213629   1.290   3.760   1.312  0.5674 -0.6776 -0.3682
+ 4061TIP3   OH213630   0.162   6.186   2.753 -0.8831 -0.4809 -0.2624
+ 4061TIP3    H113631   0.147   6.261   2.695  1.5218 -0.2353 -0.5980
+ 4061TIP3    H213632   0.212   6.124   2.699 -1.2249 -1.5291  0.6168
+ 4062TIP3   OH213633   4.038   0.178   1.464 -0.0459 -0.9654  0.0669
+ 4062TIP3    H113634   4.007   0.247   1.524 -1.4990  0.4069 -2.1556
+ 4062TIP3    H213635   4.131   0.196   1.453 -0.3166  0.4089 -0.1230
+ 4063TIP3   OH213636   6.412   2.671   1.903 -0.4946  0.1545  0.0794
+ 4063TIP3    H113637   6.480   2.691   1.968  1.3605  0.9139 -2.0429
+ 4063TIP3    H213638   6.365   2.753   1.890  0.2030  0.4320 -0.7346
+ 4064TIP3   OH213639   5.237   1.564   2.803 -0.1663 -0.1933 -0.4857
+ 4064TIP3    H113640   5.275   1.640   2.760 -1.6448  1.2350  0.6588
+ 4064TIP3    H213641   5.223   1.593   2.893  0.0353 -2.1176  0.1805
+ 4065TIP3   OH213642   4.804   1.231   2.075  0.7361 -0.2898 -0.5261
+ 4065TIP3    H113643   4.810   1.159   2.138  0.8992  0.4301  0.2824
+ 4065TIP3    H213644   4.733   1.205   2.016  0.1676 -0.6725  0.3253
+ 4066TIP3   OH213645   5.476   1.194   1.296  0.0181  0.3244  0.3852
+ 4066TIP3    H113646   5.395   1.230   1.332  0.2305  0.3616  0.8296
+ 4066TIP3    H213647   5.545   1.227   1.354  0.3918  0.5970 -0.2079
+ 4067TIP3   OH213648   4.080   5.276   2.433 -0.6278  0.4003 -0.1836
+ 4067TIP3    H113649   3.986   5.276   2.451 -0.8497  0.4791 -1.2937
+ 4067TIP3    H213650   4.094   5.200   2.377  0.0530  0.1050  0.3802
+ 4068TIP3   OH213651   4.399   0.324   3.466 -0.6093  0.4282 -0.5914
+ 4068TIP3    H113652   4.313   0.355   3.492 -1.1413  0.5634 -2.4346
+ 4068TIP3    H213653   4.432   0.277   3.543 -2.0485  0.9290  0.3470
+ 4069TIP3   OH213654   5.343   2.537   3.183 -0.4893 -0.5603  0.1291
+ 4069TIP3    H113655   5.269   2.578   3.139  0.3916  1.0388  0.1064
+ 4069TIP3    H213656   5.370   2.466   3.125 -1.5549 -0.7046 -0.1931
+ 4070TIP3   OH213657   3.041   2.590   1.312  0.1100  0.6645 -0.2390
+ 4070TIP3    H113658   2.972   2.599   1.246 -1.1655  1.1879  1.1350
+ 4070TIP3    H213659   3.122   2.583   1.262 -1.0794 -1.3739 -1.9384
+ 4071TIP3   OH213660   0.583   0.943   3.362  0.2981  0.3041 -0.8861
+ 4071TIP3    H113661   0.510   0.907   3.412  0.5771  0.6539 -0.2257
+ 4071TIP3    H213662   0.584   1.036   3.385  0.7502  0.3661 -1.1489
+ 4072TIP3   OH213663   5.923   1.393   3.004  0.2952  0.3184 -0.0941
+ 4072TIP3    H113664   5.960   1.474   2.969  0.5617  1.5261  2.7627
+ 4072TIP3    H213665   5.830   1.413   3.016 -0.1548 -0.7107 -1.8220
+ 4073TIP3   OH213666   6.077   3.720   2.473 -0.0927 -0.2076  0.8273
+ 4073TIP3    H113667   6.129   3.768   2.409 -1.8125 -0.2620 -0.6624
+ 4073TIP3    H213668   6.139   3.661   2.516  1.0620 -0.3493 -0.9892
+ 4074TIP3   OH213669   6.457   3.382   1.868  0.1389  0.4644 -0.3102
+ 4074TIP3    H113670   6.390   3.410   1.930 -0.0800  0.7132 -0.6565
+ 4074TIP3    H213671   6.481   3.294   1.897 -0.5248  0.2708 -0.3479
+ 4075TIP3   OH213672   0.067   1.640   6.934  0.0588  0.2237 -0.2338
+ 4075TIP3    H113673   0.134   1.601   6.877 -0.0570  0.0612 -0.2588
+ 4075TIP3    H213674  -0.002   1.669   6.874 -0.3012 -0.4168 -0.1391
+ 4076TIP3   OH213675   6.236   1.212   2.612  0.7289  0.2433 -0.2114
+ 4076TIP3    H113676   6.144   1.210   2.637  0.3238  0.3061 -1.6780
+ 4076TIP3    H213677   6.267   1.297   2.642  0.3083  0.2348  0.2553
+ 4077TIP3   OH213678   4.928   2.691   3.525 -0.1357 -0.0656 -0.7484
+ 4077TIP3    H113679   4.915   2.651   3.439  0.5318 -3.2370  0.5812
+ 4077TIP3    H213680   4.987   2.632   3.571 -0.6249  1.4920  1.9898
+ 4078TIP3   OH213681   4.914   2.967   3.618 -0.1911 -0.0235 -0.0904
+ 4078TIP3    H113682   4.986   2.987   3.677 -1.4463  1.3977  1.0171
+ 4078TIP3    H213683   4.939   2.885   3.575  2.3701  0.8086 -0.2579
+ 4079TIP3   OH213684   4.050   1.794   3.487 -0.2668  0.3948  0.1300
+ 4079TIP3    H113685   4.037   1.849   3.565  0.9170 -1.0495  1.3860
+ 4079TIP3    H213686   3.973   1.737   3.485 -0.2004  0.2936  0.3710
+ 4080TIP3   OH213687   4.432   1.858   3.766  0.4542 -0.5186  0.3511
+ 4080TIP3    H113688   4.427   1.809   3.848  1.8504 -2.4914 -0.7090
+ 4080TIP3    H213689   4.414   1.794   3.698  0.3189  0.8766 -0.9573
+ 4081TIP3   OH213690   6.022   2.742   2.822 -0.1039  0.4213  0.0566
+ 4081TIP3    H113691   6.079   2.666   2.833  0.3011  0.4534 -1.6976
+ 4081TIP3    H213692   6.060   2.789   2.747  0.8537  3.4265  2.3487
+ 4082TIP3   OH213693   4.621   1.817   4.103  0.6511 -0.4577  0.4900
+ 4082TIP3    H113694   4.617   1.804   4.197 -2.5173 -0.9392  0.3373
+ 4082TIP3    H213695   4.530   1.822   4.075  1.5085 -1.3423 -2.7046
+ 4083TIP3   OH213696   3.065   0.476   3.164  0.5018 -0.7314  0.1048
+ 4083TIP3    H113697   3.017   0.428   3.097 -0.9397 -0.0013  0.6046
+ 4083TIP3    H213698   3.127   0.531   3.114 -1.7989  1.1678 -0.7513
+ 4084TIP3   OH213699   4.015   1.693   4.134  0.4439 -0.2852 -0.0502
+ 4084TIP3    H113700   4.001   1.778   4.093  2.1708 -0.2528 -0.6018
+ 4084TIP3    H213701   3.930   1.649   4.129 -0.0768  0.8298 -1.0875
+ 4085TIP3   OH213702   5.265   3.911   0.546  0.4437 -0.4437 -0.3002
+ 4085TIP3    H113703   5.186   3.941   0.499  1.2883 -0.7852 -1.9726
+ 4085TIP3    H213704   5.282   3.824   0.510  0.7808 -0.9590  1.0817
+ 4086TIP3   OH213705   5.013   3.173   3.927 -0.4731  0.3868  0.0522
+ 4086TIP3    H113706   5.105   3.196   3.938 -0.4611 -0.2777  1.5664
+ 4086TIP3    H213707   4.973   3.195   4.011 -1.3828 -0.6788 -0.0847
+ 4087TIP3   OH213708   3.836   4.266   1.105  0.2173 -0.0872  0.3500
+ 4087TIP3    H113709   3.920   4.267   1.150  0.7765  1.4624 -0.6777
+ 4087TIP3    H213710   3.776   4.312   1.164  0.4260  0.0140  0.4832
+ 4088TIP3   OH213711   0.338   0.374   1.371  0.2837  0.1359 -0.2651
+ 4088TIP3    H113712   0.304   0.286   1.358  1.1394 -0.0995 -0.9593
+ 4088TIP3    H213713   0.379   0.397   1.287  1.7465  0.4400  0.5053
+ 4089TIP3   OH213714   0.076   1.005   1.761 -0.0525 -0.0397  0.3375
+ 4089TIP3    H113715   0.119   0.945   1.699  0.0845  0.2202  0.1778
+ 4089TIP3    H213716   0.143   1.021   1.828  1.0360  2.3746 -1.2390
+ 4090TIP3   OH213717   6.057   1.603   1.088  0.2245  0.4788 -0.0895
+ 4090TIP3    H113718   6.080   1.668   1.021  2.2560 -1.4710 -1.3203
+ 4090TIP3    H213719   6.140   1.582   1.131 -0.0822 -2.7561 -1.0107
+ 4091TIP3   OH213720   5.669   2.512   2.110 -0.0671 -0.3184 -0.2201
+ 4091TIP3    H113721   5.721   2.496   2.189 -0.0986 -0.8473 -0.3037
+ 4091TIP3    H213722   5.706   2.592   2.073  1.1027 -1.0211 -0.6015
+ 4092TIP3   OH213723   6.224   3.538   3.154 -0.6465 -0.3347 -0.5047
+ 4092TIP3    H113724   6.201   3.620   3.197  1.0971  0.3043 -0.7668
+ 4092TIP3    H213725   6.250   3.563   3.066  2.4217 -0.8271  0.2123
+ 4093TIP3   OH213726   6.154   2.772   1.406  0.2332 -0.1065  0.8203
+ 4093TIP3    H113727   6.219   2.702   1.407 -0.2273 -0.5374  1.0541
+ 4093TIP3    H213728   6.073   2.729   1.433 -0.5360  0.0360 -1.1672
+ 4094TIP3   OH213729   5.249   2.473   5.076 -0.1938  0.1562  0.1003
+ 4094TIP3    H113730   5.221   2.391   5.037 -1.4300  0.3411  0.5903
+ 4094TIP3    H213731   5.343   2.477   5.058 -0.2508 -1.0404 -0.4992
+ 4095TIP3   OH213732   4.842   2.297   3.383  0.2439 -0.3574  0.4588
+ 4095TIP3    H113733   4.857   2.209   3.349  1.5322  0.5121 -1.3301
+ 4095TIP3    H213734   4.925   2.321   3.423  0.2009  0.3792  0.1179
+ 4096TIP3   OH213735   6.112   2.766   3.580  0.4067 -0.5488 -0.4208
+ 4096TIP3    H113736   6.207   2.764   3.572  0.3415 -1.6051 -1.0523
+ 4096TIP3    H213737   6.085   2.675   3.566 -0.5783 -0.5376  1.2159
+ 4097TIP3   OH213738   6.377   2.797   3.522 -0.1004 -0.3334 -0.3640
+ 4097TIP3    H113739   6.444   2.834   3.580  1.0295 -1.8620 -0.6563
+ 4097TIP3    H213740   6.341   2.872   3.476 -0.6887  0.8558  1.9698
+ 4098TIP3   OH213741   5.619   1.956   1.615  0.5487 -0.0157 -0.4539
+ 4098TIP3    H113742   5.576   1.873   1.637 -0.4052  0.6331  0.1311
+ 4098TIP3    H213743   5.548   2.021   1.615  1.2227  0.7406 -1.2880
+ 4099TIP3   OH213744   5.925   0.584   3.931 -0.6679  0.0495 -0.2581
+ 4099TIP3    H113745   5.894   0.601   4.020 -1.3726  0.3217 -0.5496
+ 4099TIP3    H213746   6.020   0.596   3.935 -0.9766  2.6626 -0.1496
+ 4100TIP3   OH213747   5.913   2.373   2.679 -0.0250  0.2922  0.4969
+ 4100TIP3    H113748   5.945   2.365   2.769 -0.2725  3.1943  0.8856
+ 4100TIP3    H213749   5.848   2.304   2.670  1.3650 -1.2514  1.9130
+ 4101TIP3   OH213750   5.830   3.226   2.092 -0.0150  0.1383 -0.0467
+ 4101TIP3    H113751   5.790   3.153   2.141  0.2384 -0.9826 -1.4602
+ 4101TIP3    H213752   5.906   3.186   2.049  1.9108  1.9605  1.5904
+ 4102TIP3   OH213753   3.385   2.358   1.721 -0.2233 -0.4320 -0.2886
+ 4102TIP3    H113754   3.416   2.449   1.715 -0.1302 -0.4056  0.5114
+ 4102TIP3    H213755   3.361   2.335   1.632 -0.4176  0.4489 -0.4685
+ 4103TIP3   OH213756   3.234   3.569   2.343  0.0373 -0.0625 -0.3408
+ 4103TIP3    H113757   3.273   3.565   2.431  0.1944 -1.0308 -0.4548
+ 4103TIP3    H213758   3.215   3.478   2.321  2.3127 -0.0825 -2.3600
+ 4104TIP3   OH213759   4.871   4.112   1.308  0.6573  0.1901 -0.0799
+ 4104TIP3    H113760   4.880   4.203   1.279  0.5347 -0.2259 -1.4205
+ 4104TIP3    H213761   4.916   4.060   1.241  0.2288 -0.7868  0.3808
+ 4105TIP3   OH213762   0.764   2.337   3.033  0.3138  0.0083  0.0965
+ 4105TIP3    H113763   0.769   2.327   3.128 -2.5466  1.7812  0.5125
+ 4105TIP3    H213764   0.756   2.247   2.999 -1.8968 -0.4711  1.8063
+ 4106TIP3   OH213765   2.432   2.515   0.767  0.2136 -0.7222 -0.0952
+ 4106TIP3    H113766   2.432   2.420   0.761  2.0491 -0.6193 -2.3362
+ 4106TIP3    H213767   2.460   2.544   0.680 -2.0789  1.9112 -0.0300
+ 4107TIP3   OH213768   4.741   0.500   6.258  0.3909 -0.3697  0.0023
+ 4107TIP3    H113769   4.749   0.422   6.202 -0.8747 -0.7148  0.2936
+ 4107TIP3    H213770   4.730   0.572   6.196 -3.9321 -1.0687 -0.2464
+ 4108TIP3   OH213771   0.401   4.070   2.589 -0.3988  0.0723  0.5006
+ 4108TIP3    H113772   0.475   4.009   2.598 -1.0795 -1.0561 -1.2711
+ 4108TIP3    H213773   0.351   4.035   2.515 -1.9103  1.6592  0.7644
+ 4109TIP3   OH213774   3.552   1.042   2.821 -0.0867 -0.1298  0.4452
+ 4109TIP3    H113775   3.548   1.131   2.854 -2.1224  0.3417 -0.9844
+ 4109TIP3    H213776   3.606   0.995   2.885 -0.1648  1.7835  1.9555
+ 4110TIP3   OH213777   2.270   2.027   3.858 -0.1489 -0.0532 -0.2698
+ 4110TIP3    H113778   2.288   1.933   3.859 -0.3238 -0.1034 -1.4801
+ 4110TIP3    H213779   2.338   2.065   3.802  0.2686  0.6252  0.6718
+ 4111TIP3   OH213780   6.796   3.216   1.987 -0.4608  0.2204 -0.0485
+ 4111TIP3    H113781   6.756   3.289   2.034  0.8756  0.8053  0.2008
+ 4111TIP3    H213782   6.773   3.139   2.039 -0.2742  0.6782  0.7225
+ 4112TIP3   OH213783   5.999   2.993   3.190 -0.3593  0.0372 -0.0598
+ 4112TIP3    H113784   6.006   2.927   3.122 -2.2428  0.9415 -1.1605
+ 4112TIP3    H213785   5.950   2.951   3.260  1.0039 -0.6739  0.4897
+ 4113TIP3   OH213786   5.327   4.356   5.503 -0.0459  0.4205  0.2705
+ 4113TIP3    H113787   5.306   4.276   5.550 -0.6464 -0.0984 -0.8465
+ 4113TIP3    H213788   5.272   4.423   5.543  0.8098  0.3734  1.5221
+ 4114TIP3   OH213789   0.298   5.019   3.041 -0.3854  0.0242  0.5169
+ 4114TIP3    H113790   0.293   4.929   3.073  0.6797 -0.1972  0.0813
+ 4114TIP3    H213791   0.388   5.045   3.057 -0.3110  0.5239 -0.6631
+ 4115TIP3   OH213792   5.757   3.034   0.910  0.4337 -0.1970 -0.2854
+ 4115TIP3    H113793   5.725   3.068   0.826 -0.3918  0.6677  0.3713
+ 4115TIP3    H213794   5.747   3.107   0.971 -0.3547 -1.2867  0.9047
+ 4116TIP3   OH213795   5.436   2.402   3.443  0.3298  0.6691 -0.3353
+ 4116TIP3    H113796   5.487   2.334   3.400 -0.1343 -0.0268  0.2166
+ 4116TIP3    H213797   5.387   2.444   3.372  1.4482  1.1498 -0.8237
+ 4117TIP3   OH213798   5.156   2.083   2.230 -0.2820 -0.2923  0.1907
+ 4117TIP3    H113799   5.157   2.161   2.174 -1.5642  1.5706  2.6340
+ 4117TIP3    H213800   5.206   2.018   2.181  0.1649  1.8075 -2.2905
+ 4118TIP3   OH213801   6.511   2.848   1.102 -0.3385 -0.0170  0.0489
+ 4118TIP3    H113802   6.531   2.925   1.050  0.1524  0.3453  0.7611
+ 4118TIP3    H213803   6.594   2.825   1.144 -0.7359 -0.2755  0.7040
+ 4119TIP3   OH213804   4.824   4.322   1.145  0.5538 -0.0846 -0.3448
+ 4119TIP3    H113805   4.867   4.351   1.065  1.5030 -0.0654  0.1726
+ 4119TIP3    H213806   4.786   4.401   1.182 -0.1799 -0.1479 -0.9458
+ 4120TIP3   OH213807   0.172   2.596   4.145  0.1100  0.7480  0.6327
+ 4120TIP3    H113808   0.099   2.573   4.088  0.3100 -1.9041  1.3729
+ 4120TIP3    H213809   0.159   2.689   4.164 -2.7300  0.4708  0.2958
+ 4121TIP3   OH213810   6.230   1.345   2.959  0.2345 -0.1882 -0.4649
+ 4121TIP3    H113811   6.196   1.261   2.990  1.2644 -0.8084 -0.9803
+ 4121TIP3    H213812   6.153   1.393   2.929 -0.1907 -1.6484 -1.8029
+ 4122TIP3   OH213813   6.786   4.549   2.487 -0.6713 -0.1089  0.2655
+ 4122TIP3    H113814   6.741   4.485   2.543 -2.1621  1.8080  1.3097
+ 4122TIP3    H213815   6.717   4.582   2.429  0.6510 -1.3490 -2.1020
+ 4123TIP3   OH213816   6.336   6.904   1.025  0.4064 -0.0147 -0.1254
+ 4123TIP3    H113817   6.241   6.898   1.036  0.3892  1.8398  0.9256
+ 4123TIP3    H213818   6.355   6.846   0.952 -1.6700  0.3883 -1.0380
+ 4124TIP3   OH213819   5.511   3.710   1.959  0.4375  0.2816 -0.2183
+ 4124TIP3    H113820   5.503   3.655   1.881  0.6869 -0.1278  0.0399
+ 4124TIP3    H213821   5.562   3.656   2.020  0.0369  0.5092  0.3111
+ 4125TIP3   OH213822   1.930   1.704   2.832 -0.1725  0.0927 -0.1855
+ 4125TIP3    H113823   1.938   1.793   2.866 -2.6981 -0.6254  2.4893
+ 4125TIP3    H213824   1.899   1.652   2.906 -0.0862 -2.7622 -2.0588
+ 4126TIP3   OH213825   3.367   1.520   3.934  0.0218  0.0011 -0.0054
+ 4126TIP3    H113826   3.338   1.605   3.965  1.7903  0.3542  0.7579
+ 4126TIP3    H213827   3.295   1.488   3.880 -0.8544  1.7592  0.0921
+ 4127TIP3   OH213828   6.711   3.954   3.839  0.0042 -0.0186 -0.3872
+ 4127TIP3    H113829   6.653   3.961   3.763 -0.7775  0.2076  0.2284
+ 4127TIP3    H213830   6.772   3.884   3.816 -0.7725 -0.5450 -0.8604
+ 4128TIP3   OH213831   0.388   3.781   3.577 -0.2068  0.4414  0.0788
+ 4128TIP3    H113832   0.348   3.765   3.492 -1.6268 -0.1903  0.8355
+ 4128TIP3    H213833   0.438   3.701   3.596 -1.5599 -0.2621  0.7347
+ 4129TIP3   OH213834   6.221   3.002   3.403 -0.2363 -0.4641  0.2069
+ 4129TIP3    H113835   6.150   3.030   3.462  1.8811 -0.8983  3.0632
+ 4129TIP3    H213836   6.243   3.080   3.353 -2.5259 -0.2551 -0.5287
+ 4130TIP3   OH213837   5.821   2.972   3.434 -0.1225  0.0204 -0.1809
+ 4130TIP3    H113838   5.876   3.048   3.455  0.4275 -0.0045 -1.4752
+ 4130TIP3    H213839   5.801   2.933   3.519  1.4674  0.3027  0.3480
+ 4131TIP3   OH213840   6.484   4.409   1.018  0.0302 -0.6233 -0.1684
+ 4131TIP3    H113841   6.406   4.428   0.966  0.5584 -1.4982 -1.2932
+ 4131TIP3    H213842   6.452   4.350   1.087 -0.3319 -0.8561 -0.5321
+ 4132TIP3   OH213843   0.069   1.070   5.335 -0.1410  0.2830  0.5367
+ 4132TIP3    H113844   0.151   1.083   5.383  2.0070 -0.9765 -2.6003
+ 4132TIP3    H213845   0.031   0.991   5.373  1.8179 -1.0296 -0.1781
+ 4133TIP3   OH213846   6.174   2.313   2.534 -0.0705 -0.0061 -0.6778
+ 4133TIP3    H113847   6.093   2.361   2.551  0.4302  0.8390 -0.6466
+ 4133TIP3    H213848   6.205   2.285   2.620 -0.7053 -0.9429 -0.7574
+ 4134TIP3   OH213849   5.938   0.452   0.587  0.7878  0.5088 -0.4367
+ 4134TIP3    H113850   6.033   0.461   0.579  1.2002 -3.3909 -0.8613
+ 4134TIP3    H213851   5.915   0.380   0.528 -2.4711  1.4588 -0.4507
+ 4135TIP3   OH213852   5.599   5.898   2.336  1.0984 -0.6457 -0.2046
+ 4135TIP3    H113853   5.656   5.956   2.286  0.4278 -1.2979 -1.7690
+ 4135TIP3    H213854   5.653   5.822   2.356  1.2674 -0.5312 -0.2234
+ 4136TIP3   OH213855   5.601   2.724   1.605  0.1916  0.3588  0.0763
+ 4136TIP3    H113856   5.636   2.767   1.527  2.6537 -0.9290  0.4096
+ 4136TIP3    H213857   5.581   2.796   1.665  2.6259  1.1964 -0.0348
+ 4137TIP3   OH213858   4.940   1.388   1.028  0.4348  0.6214 -0.4217
+ 4137TIP3    H113859   4.871   1.339   1.073  0.0463  1.0196 -0.5750
+ 4137TIP3    H213860   4.919   1.378   0.935  1.9873 -1.3002 -0.5880
+ 4138TIP3   OH213861   0.236   3.754   1.717  0.5402  0.3395  0.6004
+ 4138TIP3    H113862   0.230   3.824   1.782 -2.3098  0.4078  0.3023
+ 4138TIP3    H213863   0.262   3.797   1.636  2.6435  0.4532  1.2797
+ 4139TIP3   OH213864   6.834   4.362   2.779  0.4284  0.2858  0.1156
+ 4139TIP3    H113865   6.884   4.427   2.829  0.1398  2.1073 -1.8938
+ 4139TIP3    H213866   6.897   4.326   2.717 -0.3025  1.3335 -1.2552
+ 4140TIP3   OH213867   0.123   2.694   2.206 -0.0703  0.2890  0.2938
+ 4140TIP3    H113868   0.163   2.774   2.239 -1.8114  1.0826  0.5437
+ 4140TIP3    H213869   0.186   2.625   2.226  0.2043  1.1773  2.6343
+ 4141TIP3   OH213870   0.463   4.686   3.265  0.3511  0.0963 -0.1906
+ 4141TIP3    H113871   0.469   4.627   3.340  0.6643  1.4187  0.8413
+ 4141TIP3    H213872   0.371   4.682   3.239  0.7579 -2.3637 -1.4004
+ 4142TIP3   OH213873   5.913   3.249   3.141 -0.5671  0.3743  0.2973
+ 4142TIP3    H113874   5.933   3.156   3.144 -0.1589  0.4970  2.5660
+ 4142TIP3    H213875   5.964   3.283   3.068 -1.9195 -1.4248 -1.5522
+ 4143TIP3   OH213876   5.907   1.554   2.632 -0.3939 -0.1325 -0.7507
+ 4143TIP3    H113877   5.935   1.465   2.611 -1.0960 -0.9419  1.6095
+ 4143TIP3    H213878   5.950   1.574   2.715 -2.8815  0.4632  0.4511
+ 4144TIP3   OH213879   1.582   2.064   2.943 -0.5195  0.7030  0.0936
+ 4144TIP3    H113880   1.573   2.076   2.849 -1.2820  0.6584  0.1614
+ 4144TIP3    H213881   1.518   1.998   2.966  0.2328  0.1073  0.5178
+ 4145TIP3   OH213882   1.125   0.065   2.452  0.0172  0.2877 -0.4744
+ 4145TIP3    H113883   1.158   0.140   2.404 -0.9547  1.3085  0.4268
+ 4145TIP3    H213884   1.198   0.036   2.506  0.7992 -0.2466 -1.7785
+ 4146TIP3   OH213885   6.826   5.770   2.332 -0.7378  0.1691 -0.1064
+ 4146TIP3    H113886   6.748   5.811   2.371  0.1593  0.2091  1.7012
+ 4146TIP3    H213887   6.836   5.688   2.380 -0.2491 -0.3211 -1.0454
+ 4147TIP3   OH213888   6.172   2.825   6.922 -0.2437  0.0394 -0.0078
+ 4147TIP3    H113889   6.180   2.756   6.856  0.9454 -1.0689  1.2490
+ 4147TIP3    H213890   6.256   2.872   6.917 -0.1290 -0.0855  0.7428
+ 4148TIP3   OH213891   0.042   2.736   1.863  0.3254  0.1348 -0.1413
+ 4148TIP3    H113892   0.031   2.641   1.871  1.4583  0.0983  1.1420
+ 4148TIP3    H213893  -0.002   2.772   1.941  0.7185  0.6024 -0.1355
+ 4149TIP3   OH213894   5.262   2.695   2.597  0.1531  0.1946 -0.0759
+ 4149TIP3    H113895   5.171   2.669   2.586  0.2294 -0.2139  0.2490
+ 4149TIP3    H213896   5.271   2.709   2.692  1.2684 -2.9025  0.3341
+ 4150TIP3   OH213897   5.166   0.998   2.786  0.0672  0.3588 -0.4158
+ 4150TIP3    H113898   5.082   0.992   2.740  0.4457  0.3466 -1.1265
+ 4150TIP3    H213899   5.230   0.970   2.721  0.6527  0.6712  0.0216
+ 4151TIP3   OH213900   0.774   2.183   3.368  0.6255 -0.0492  0.1046
+ 4151TIP3    H113901   0.843   2.140   3.318 -0.2206 -2.5339  1.0000
+ 4151TIP3    H213902   0.803   2.177   3.459 -0.5582 -0.7903  0.4504
+ 4152TIP3   OH213903   5.513   0.569   3.522 -0.5685 -0.3733 -0.0622
+ 4152TIP3    H113904   5.588   0.520   3.486  0.2808  1.1696 -0.4459
+ 4152TIP3    H213905   5.452   0.576   3.448  0.0081  0.4943 -0.4701
+ 4153TIP3   OH213906   1.497   1.269   5.281 -0.7619  0.4788  0.0140
+ 4153TIP3    H113907   1.495   1.362   5.306  0.9373  0.2219  1.1705
+ 4153TIP3    H213908   1.448   1.266   5.198 -1.3475  2.3005  0.2588
+ 4154TIP3   OH213909   5.335   2.294   2.691 -0.2667  0.0633  0.4668
+ 4154TIP3    H113910   5.352   2.291   2.597  0.1522 -0.7363  0.5620
+ 4154TIP3    H213911   5.383   2.371   2.722 -0.0423  0.0717  0.0919
+ 4155TIP3   OH213912   0.046   0.658   4.232 -0.0572  0.0256 -0.2287
+ 4155TIP3    H113913   0.115   0.648   4.166  1.2683 -0.2714  1.1523
+ 4155TIP3    H213914  -0.023   0.598   4.205  0.1310  0.4688 -1.7490
+ 4156TIP3   OH213915   1.048   3.467   5.873 -0.0745 -0.0873  1.0049
+ 4156TIP3    H113916   0.993   3.511   5.808  1.0601 -0.1137  0.0049
+ 4156TIP3    H213917   1.092   3.539   5.919  0.7531 -0.1160  0.2795
+ 4157TIP3   OH213918   0.784   3.369   1.440  0.3271 -0.0633 -0.5743
+ 4157TIP3    H113919   0.739   3.370   1.356  1.5690 -0.8555 -1.2755
+ 4157TIP3    H213920   0.854   3.434   1.430 -0.1188  0.5365  0.1923
+ 4158TIP3   OH213921   6.511   1.729   6.450 -0.1265 -0.3545  0.2427
+ 4158TIP3    H113922   6.570   1.780   6.505  0.7820 -1.0235 -0.0929
+ 4158TIP3    H213923   6.505   1.780   6.368  1.4697 -1.2098 -0.4173
+ 4159TIP3   OH213924   4.987   3.494   2.608 -0.2683  0.3620  0.2814
+ 4159TIP3    H113925   4.962   3.566   2.550 -1.4509  0.8102  1.3326
+ 4159TIP3    H213926   5.001   3.419   2.549  0.6480  1.3619 -0.7802
+ 4160TIP3   OH213927   4.664   2.063   3.764 -0.5991  0.6937  0.0677
+ 4160TIP3    H113928   4.595   2.021   3.815 -1.6578 -0.2443 -2.0746
+ 4160TIP3    H213929   4.711   1.991   3.723  1.3167  1.3513  1.0163
+ 4161TIP3   OH213930   1.204   3.211   2.335 -0.6253 -0.8476  0.1130
+ 4161TIP3    H113931   1.159   3.295   2.321 -0.8229 -1.0221 -0.2941
+ 4161TIP3    H213932   1.136   3.153   2.369 -0.5110 -0.8772  0.2936
+ 4162TIP3   OH213933   6.760   4.064   2.071 -0.0451  0.0000  0.1690
+ 4162TIP3    H113934   6.783   3.979   2.035 -0.3194 -0.5942  1.3643
+ 4162TIP3    H213935   6.754   4.122   1.995 -0.3621 -1.1636 -0.6986
+ 4163TIP3   OH213936   5.066   4.004   1.113 -0.0569  0.1433 -0.6682
+ 4163TIP3    H113937   5.086   3.910   1.119  0.9847  0.5166  2.9800
+ 4163TIP3    H213938   5.028   4.015   1.026 -0.2706 -3.6838 -1.1429
+ 4164TIP3   OH213939   5.821   3.570   2.395 -0.3370  0.1771 -0.0712
+ 4164TIP3    H113940   5.782   3.526   2.470  1.3785 -0.9494  0.1973
+ 4164TIP3    H213941   5.881   3.635   2.433  0.0889  0.0200 -0.4627
+ 4165TIP3   OH213942   6.338   4.250   3.469  0.6009 -0.0399  0.1165
+ 4165TIP3    H113943   6.281   4.323   3.445  0.6906  0.2058  0.6654
+ 4165TIP3    H213944   6.397   4.285   3.535  0.3976 -0.7020  0.6646
+ 4166TIP3   OH213945   0.864   4.677   2.971  0.0911 -0.2362 -0.3476
+ 4166TIP3    H113946   0.773   4.653   2.986 -0.3975  1.0453 -1.1712
+ 4166TIP3    H213947   0.860   4.745   2.904  1.7090 -0.7036 -0.9375
+ 4167TIP3   OH213948   6.198   2.309   3.344 -0.0555  0.3883 -0.1650
+ 4167TIP3    H113949   6.144   2.252   3.398  2.7757  1.0794  3.5824
+ 4167TIP3    H213950   6.181   2.397   3.378  1.3503  0.8938 -0.7473
+ 4168TIP3   OH213951   5.726   2.418   2.959  0.0438 -0.0196 -0.1909
+ 4168TIP3    H113952   5.804   2.362   2.956 -0.6163 -0.9101 -1.5165
+ 4168TIP3    H213953   5.741   2.484   2.891  0.0608  0.3771  0.1980
+ 4169TIP3   OH213954   1.208   2.319   2.647 -0.3716 -0.0566  0.3039
+ 4169TIP3    H113955   1.118   2.300   2.676 -0.0945 -2.1823 -0.1917
+ 4169TIP3    H213956   1.262   2.257   2.694  0.8377  1.0705  0.4206
+ 4170TIP3   OH213957   6.530   3.776   1.856 -0.1306  0.4976 -0.2983
+ 4170TIP3    H113958   6.580   3.857   1.842  0.9662 -0.2624 -0.8556
+ 4170TIP3    H213959   6.555   3.747   1.943  0.4361  0.1025 -0.5882
+ 4171TIP3   OH213960   5.196   2.883   2.356  0.1140 -0.1556  1.0938
+ 4171TIP3    H113961   5.210   2.795   2.390 -1.2053 -0.9174 -0.2766
+ 4171TIP3    H213962   5.135   2.924   2.417  0.5094 -0.2913  1.5765
+ 4172TIP3   OH213963   6.365   4.319   2.359  0.3065 -0.3262 -0.1519
+ 4172TIP3    H113964   6.335   4.394   2.412  0.9546  0.0163 -0.2670
+ 4172TIP3    H213965   6.420   4.268   2.419  1.8954  0.6136 -0.7766
+ 4173TIP3   OH213966   5.952   3.565   0.515  0.2193  0.4427  0.6697
+ 4173TIP3    H113967   5.981   3.645   0.559  2.4881  1.1077 -1.8905
+ 4173TIP3    H213968   6.032   3.514   0.504 -0.4259 -0.0722 -1.8523
+ 4174TIP3   OH213969   0.582   2.440   4.919  0.0689 -0.0313 -0.0515
+ 4174TIP3    H113970   0.487   2.449   4.925  0.0307  0.0608 -0.7305
+ 4174TIP3    H213971   0.615   2.529   4.930 -0.1480  0.6156 -3.7083
+ 4175TIP3   OH213972   0.199   0.900   2.996 -0.2163 -0.3640  0.4364
+ 4175TIP3    H113973   0.279   0.951   2.980  0.8958 -2.0224  0.6238
+ 4175TIP3    H213974   0.192   0.896   3.091 -0.0883 -0.8996  0.4224
+ 4176TIP3   OH213975   6.805   2.733   3.693 -0.1822 -0.1995  0.2193
+ 4176TIP3    H113976   6.894   2.713   3.721 -0.8303 -0.7457  1.9446
+ 4176TIP3    H213977   6.801   2.703   3.602  1.9422  1.5341 -0.5020
+ 4177TIP3   OH213978   6.173   2.077   1.866 -0.1735  0.3075  0.4859
+ 4177TIP3    H113979   6.170   2.061   1.960 -3.3829  0.0089  0.3734
+ 4177TIP3    H213980   6.179   1.990   1.827  0.1672  0.3822  0.3660
+ 4178TIP3   OH213981   6.763   3.273   3.288  0.5694 -0.1000 -0.3268
+ 4178TIP3    H113982   6.842   3.220   3.295  0.7288  0.1728 -0.0241
+ 4178TIP3    H213983   6.692   3.209   3.279  0.6195 -0.4226  1.3549
+ 4179TIP3   OH213984   6.335   1.520   3.969 -0.1259 -0.5320 -0.0494
+ 4179TIP3    H113985   6.304   1.442   4.016  1.7958 -1.7425 -0.7681
+ 4179TIP3    H213986   6.411   1.490   3.920 -0.3421  1.4340 -1.6268
+ 4180TIP3   OH213987   1.285   1.540   3.939  0.2116 -0.2566 -0.0879
+ 4180TIP3    H113988   1.371   1.581   3.927 -0.3325  0.7996 -0.4768
+ 4180TIP3    H213989   1.253   1.577   4.022 -0.8397  1.1147 -1.0902
+ 4181TIP3   OH213990   1.385   3.589   4.130  0.1932 -0.6582  0.5064
+ 4181TIP3    H113991   1.345   3.506   4.153  0.9662 -0.5159  2.4334
+ 4181TIP3    H213992   1.373   3.644   4.207  0.6381  0.6681 -0.3499
+ 4182TIP3   OH213993   5.300   3.324   2.612 -0.6462  0.1559  0.2951
+ 4182TIP3    H113994   5.393   3.312   2.632 -0.2796  0.4841 -1.1662
+ 4182TIP3    H213995   5.256   3.311   2.696  0.6585 -0.6544  0.8713
+ 4183TIP3   OH213996   0.306   2.857   1.804  0.3311  0.0171 -0.4276
+ 4183TIP3    H113997   0.221   2.818   1.822  0.2597  0.0678 -0.6572
+ 4183TIP3    H213998   0.342   2.806   1.732 -0.0580  0.8052 -1.1849
+ 4184TIP3   OH213999   5.205   3.053   1.967 -0.5076 -0.2294  0.4180
+ 4184TIP3    H114000   5.240   3.114   1.902  1.1918 -2.0223 -0.3795
+ 4184TIP3    H214001   5.198   2.970   1.920 -2.5831 -0.7238  1.5619
+ 4185TIP3   OH214002   4.668   4.060   1.488  0.2990  0.4449  0.4304
+ 4185TIP3    H114003   4.609   4.022   1.423  1.4928 -0.5239 -0.1129
+ 4185TIP3    H214004   4.742   4.093   1.437 -0.3175  2.7883  0.9804
+ 4186TIP3   OH214005   5.880   4.197   1.864 -0.2297  0.5318  0.1681
+ 4186TIP3    H114006   5.846   4.108   1.877  0.0429  0.3791 -0.1513
+ 4186TIP3    H214007   5.966   4.196   1.907 -0.6414  0.9293  1.0119
+ 4187TIP3   OH214008   4.631   1.738   3.418 -0.1909 -0.0332 -0.3766
+ 4187TIP3    H114009   4.537   1.731   3.436 -0.4409  0.2868 -1.5275
+ 4187TIP3    H214010   4.645   1.831   3.398 -0.0701 -0.4976 -2.5524
+ 4188TIP3   OH214011   5.807  -0.002   4.480  0.5383  0.2166 -0.1132
+ 4188TIP3    H114012   5.830   0.090   4.466 -0.4089  0.4281 -0.3189
+ 4188TIP3    H214013   5.716   0.000   4.508  0.2484 -0.7219 -0.9439
+ 4189TIP3   OH214014   0.877   5.934   1.840  0.2721 -0.3505 -0.2937
+ 4189TIP3    H114015   0.788   5.958   1.815  0.2203 -0.2985 -0.0546
+ 4189TIP3    H214016   0.929   6.012   1.820  0.0250  0.1363  0.9369
+ 4190TIP3   OH214017   6.857   3.818   0.413 -0.2891  0.3705 -0.6662
+ 4190TIP3    H114018   6.839   3.779   0.328 -0.4013  0.2220 -0.5755
+ 4190TIP3    H214019   6.804   3.767   0.474 -0.1996  0.4684 -0.5064
+ 4191TIP3   OH214020   6.674   1.436   4.111  0.5182 -0.6061 -0.2265
+ 4191TIP3    H114021   6.698   1.515   4.159  3.8775 -0.9661 -1.1399
+ 4191TIP3    H214022   6.659   1.465   4.021 -2.0483 -0.4842  0.2102
+ 4192TIP3   OH214023   2.476   1.270   6.206  0.0360  0.0763  0.2080
+ 4192TIP3    H114024   2.496   1.335   6.139 -1.2034  0.3907  0.1296
+ 4192TIP3    H214025   2.401   1.306   6.253  0.5846 -0.3741  1.4552
+ 4193TIP3   OH214026   4.930   2.844   1.213 -0.4710  0.4126 -0.1144
+ 4193TIP3    H114027   4.853   2.791   1.189 -1.0720  0.8095  0.8802
+ 4193TIP3    H214028   4.952   2.892   1.133 -1.2662  0.2971 -0.4080
+ 4194TIP3   OH214029   1.005   4.043   3.027 -0.4969  0.1093 -0.6343
+ 4194TIP3    H114030   1.045   3.982   2.965 -1.0275 -1.5862  0.6653
+ 4194TIP3    H214031   0.974   3.988   3.099 -0.0564  2.0216  1.0666
+ 4195TIP3   OH214032   6.176   3.419   0.498  0.5018 -0.4582 -0.2905
+ 4195TIP3    H114033   6.137   3.348   0.549  0.0901  0.9786  1.4585
+ 4195TIP3    H214034   6.193   3.381   0.412 -2.0649 -1.9650 -0.1861
+ 4196TIP3   OH214035   5.057   2.655   1.342  0.3474 -0.5637 -0.3066
+ 4196TIP3    H114036   4.992   2.618   1.401 -0.6645  1.4843 -0.1137
+ 4196TIP3    H214037   5.011   2.724   1.295  2.3197  0.7738 -0.3328
+ 4197TIP3   OH214038   0.056   0.121   0.196 -0.3348 -0.4886 -0.3786
+ 4197TIP3    H114039  -0.018   0.125   0.256  0.1018  0.0862  0.1280
+ 4197TIP3    H214040   0.111   0.050   0.230  0.5377  0.6514  0.6414
+ 4198TIP3   OH214041   5.191   1.827   3.906  0.2317  0.6097  0.0909
+ 4198TIP3    H114042   5.178   1.913   3.866 -1.7617  0.7041  0.8924
+ 4198TIP3    H214043   5.103   1.798   3.929  1.0709 -0.7963  1.5898
+ 4199TIP3   OH214044   6.362   1.852   4.479 -0.2054 -0.3326  0.3486
+ 4199TIP3    H114045   6.300   1.861   4.407 -2.8210 -1.3055  2.4120
+ 4199TIP3    H214046   6.441   1.817   4.438 -2.1396 -2.3702 -1.8089
+ 4200TIP3   OH214047   0.748   2.213   4.968  0.1033 -0.1363  0.4382
+ 4200TIP3    H114048   0.657   2.185   4.979 -0.1505 -0.3510 -2.1067
+ 4200TIP3    H214049   0.743   2.305   4.943  0.6209  0.0279  0.9253
+ 4201TIP3   OH214050   6.061   1.125   0.676 -0.7294 -0.6456  0.3988
+ 4201TIP3    H114051   6.144   1.171   0.686 -1.6507  0.8184  1.5489
+ 4201TIP3    H214052   6.039   1.095   0.764 -0.7699 -2.1911 -0.1305
+ 4202TIP3   OH214053   6.041   2.742   4.230 -0.0972  0.4932 -0.6028
+ 4202TIP3    H114054   6.107   2.723   4.163  1.0112  4.2412 -0.6706
+ 4202TIP3    H214055   5.965   2.773   4.181 -0.1206  0.9890 -0.2581
+ 4203TIP3   OH214056   0.755   2.975   5.810 -0.0833 -0.6279  0.1993
+ 4203TIP3    H114057   0.698   3.040   5.852  1.7198  1.4446 -0.4359
+ 4203TIP3    H214058   0.750   2.898   5.867 -1.2954  0.5216  1.6806
+ 4204TIP3   OH214059   1.005   3.300   3.596  0.1469 -0.0022  0.2600
+ 4204TIP3    H114060   1.042   3.384   3.625  1.6276 -0.5614  0.0212
+ 4204TIP3    H214061   1.016   3.242   3.671 -0.6794 -0.0576  0.3449
+ 4205TIP3   OH214062   1.036   1.619   1.433  0.6563  0.3846  0.0847
+ 4205TIP3    H114063   0.976   1.676   1.386  0.5784  0.4802  0.2989
+ 4205TIP3    H214064   1.106   1.677   1.462 -0.3969  0.7295  1.9736
+ 4206TIP3   OH214065   5.435   2.491   3.678 -0.0724  0.7632 -0.4897
+ 4206TIP3    H114066   5.448   2.465   3.587  2.5725 -0.1153  0.1172
+ 4206TIP3    H214067   5.463   2.415   3.729 -2.5364  0.8435  1.0717
+ 4207TIP3   OH214068   6.552   1.714   1.360  0.3809 -0.0397 -0.1495
+ 4207TIP3    H114069   6.506   1.673   1.433  2.7664  1.0370  2.0313
+ 4207TIP3    H214070   6.490   1.778   1.325 -0.9951 -0.9689  0.5753
+ 4208TIP3   OH214071   6.284   3.413   3.473 -0.0276 -0.2387 -0.2299
+ 4208TIP3    H114072   6.226   3.483   3.442 -1.2834 -0.4465  1.5777
+ 4208TIP3    H214073   6.280   3.347   3.403  0.1255  0.8888 -1.3296
+ 4209TIP3   OH214074   0.138   1.291   4.009  0.1822 -0.7738  0.4022
+ 4209TIP3    H114075   0.221   1.328   3.980  0.8884 -1.5675  1.3855
+ 4209TIP3    H214076   0.092   1.268   3.928  1.0118 -0.5307 -0.1355
+ 4210TIP3   OH214077   5.484   3.294   3.462 -0.2116 -0.8068 -0.2190
+ 4210TIP3    H114078   5.530   3.319   3.381  0.1879 -0.3822  0.1357
+ 4210TIP3    H214079   5.501   3.200   3.470 -0.0432 -0.8049 -0.4992
+ 4211TIP3   OH214080   6.687   1.412   3.427 -0.5706  0.5079 -0.1224
+ 4211TIP3    H114081   6.757   1.349   3.415  1.7076  3.0121 -0.5168
+ 4211TIP3    H214082   6.608   1.366   3.399  1.2836 -1.5034 -2.2483
+ 4212TIP3   OH214083   6.220   1.577   2.425 -0.1154  0.4854  0.2959
+ 4212TIP3    H114084   6.189   1.551   2.511 -0.3016 -1.6670 -0.3904
+ 4212TIP3    H214085   6.291   1.515   2.406 -1.9707 -0.9543 -2.2810
+ 4213TIP3   OH214086   0.802   1.286   5.094 -0.6576  0.0751  0.2793
+ 4213TIP3    H114087   0.816   1.193   5.109 -2.4967  0.0425  2.0581
+ 4213TIP3    H214088   0.887   1.319   5.064  0.5778 -1.7672  1.6452
+ 4214TIP3   OH214089   6.522   2.562   3.529 -0.1986  0.2241 -0.5842
+ 4214TIP3    H114090   6.467   2.639   3.537 -0.2224  0.0301  1.2542
+ 4214TIP3    H214091   6.607   2.596   3.499 -0.6315  0.7740 -1.2108
+ 4215TIP3   OH214092   6.308   1.930   2.395  0.3349 -0.2673  0.2724
+ 4215TIP3    H114093   6.249   1.882   2.337  1.1513 -0.8493 -0.0794
+ 4215TIP3    H214094   6.366   1.979   2.337  0.1844  0.3195  0.6169
+ 4216TIP3   OH214095   6.366   6.285   2.803 -0.0760 -0.5629  0.0213
+ 4216TIP3    H114096   6.422   6.212   2.830 -1.6162 -1.1807  1.6490
+ 4216TIP3    H214097   6.390   6.301   2.712  1.0702 -2.3696 -0.0248
+ 4217TIP3   OH214098   5.698   3.957   1.919  0.1828 -0.4894 -0.2827
+ 4217TIP3    H114099   5.658   3.872   1.899 -0.5561 -0.2091 -0.0217
+ 4217TIP3    H214100   5.645   4.020   1.871 -0.5973  0.0275  1.2350
+ 4218TIP3   OH214101   6.485   3.613   3.568  0.2473 -0.0007 -0.5639
+ 4218TIP3    H114102   6.514   3.600   3.658 -0.7856  0.6786 -0.1263
+ 4218TIP3    H214103   6.464   3.525   3.537  0.7787 -0.2585 -0.2104
+ 4219TIP3   OH214104   6.289   2.794   3.222  0.2798  0.1444 -0.0145
+ 4219TIP3    H114105   6.234   2.872   3.234 -0.2411 -0.3659  1.0091
+ 4219TIP3    H214106   6.335   2.810   3.140  0.8588  1.9434  0.6208
+ 4220TIP3   OH214107   0.096   2.323   2.160 -0.5010 -0.4084 -0.1771
+ 4220TIP3    H114108   0.063   2.413   2.159  0.0643 -0.1555  1.8053
+ 4220TIP3    H214109   0.152   2.317   2.082 -1.1780  0.6927 -0.7609
+ 4221TIP3   OH214110   1.718   5.122   2.584  0.3744 -0.3908 -0.0160
+ 4221TIP3    H114111   1.703   5.160   2.497  1.2744  0.4772  0.2001
+ 4221TIP3    H214112   1.742   5.031   2.566 -2.3506 -1.0581 -0.5062
+ 4222TIP3   OH214113   4.960   4.536   2.731  0.2942 -0.1568  0.0152
+ 4222TIP3    H114114   5.043   4.513   2.689  1.0260  0.0226  1.3397
+ 4222TIP3    H214115   4.943   4.626   2.703  1.2831  0.3089  0.8748
+ 4223TIP3   OH214116   5.869   3.640   3.269 -0.6085  0.0315 -0.1481
+ 4223TIP3    H114117   5.928   3.675   3.202  0.1115 -2.0115 -0.6197
+ 4223TIP3    H214118   5.844   3.716   3.321 -0.7393  1.5682 -2.3917
+ 4224TIP3   OH214119   6.454   2.848   1.594 -0.1799 -0.4621  0.0700
+ 4224TIP3    H114120   6.546   2.821   1.606 -0.8960 -3.1659 -0.2282
+ 4224TIP3    H214121   6.410   2.769   1.562 -2.4910  0.9996 -0.4454
+ 4225TIP3   OH214122   6.178   4.095   2.773 -0.3832  0.3493 -0.1593
+ 4225TIP3    H114123   6.238   4.031   2.734  0.6159  0.0291  1.8399
+ 4225TIP3    H214124   6.095   4.047   2.781 -0.0756 -0.1904 -0.1376
+ 4226TIP3   OH214125   6.002   2.234   2.265  0.2272 -0.8279 -0.5269
+ 4226TIP3    H114126   6.017   2.278   2.181  1.0615  2.7992  1.4468
+ 4226TIP3    H214127   6.075   2.172   2.272  1.3818  0.3978 -1.4668
+ 4227TIP3   OH214128   4.917   0.574   2.580  0.4342 -0.0098 -0.3049
+ 4227TIP3    H114129   4.867   0.580   2.498  0.1955 -1.0453 -0.2502
+ 4227TIP3    H214130   4.879   0.641   2.636 -0.4010 -0.2854 -0.5297
+ 4228TIP3   OH214131   5.364   1.117   1.763 -0.1711 -0.1591 -0.3248
+ 4228TIP3    H114132   5.382   1.180   1.833  0.5809 -2.1075  1.3115
+ 4228TIP3    H214133   5.434   1.129   1.700  0.8521 -0.4139  0.7525
+ 4229TIP3   OH214134   6.139   2.515   3.012  0.5391 -0.5435  0.5361
+ 4229TIP3    H114135   6.195   2.450   3.055  0.4169  0.0157  1.5684
+ 4229TIP3    H214136   6.126   2.582   3.079 -0.3798 -0.0845 -0.0983
+ 4230TIP3   OH214137   5.531   1.690   4.581 -0.2233 -0.0854 -0.1473
+ 4230TIP3    H114138   5.451   1.688   4.633 -0.3833  2.7271 -0.2020
+ 4230TIP3    H214139   5.511   1.640   4.502 -1.3630 -0.8376  0.6210
+ 4231TIP3   OH214140   6.820   3.766   3.616 -0.3371 -0.3596 -0.6698
+ 4231TIP3    H114141   6.896   3.722   3.655 -0.3159 -0.6483 -1.0315
+ 4231TIP3    H214142   6.824   3.742   3.523 -1.1458 -0.7600 -0.6017
+ 4232TIP3   OH214143   0.129   3.586   3.764 -0.2930 -0.4592 -0.4443
+ 4232TIP3    H114144   0.206   3.556   3.813 -1.3993 -0.8397  1.0864
+ 4232TIP3    H214145   0.131   3.536   3.682  2.8599  1.8376 -1.8675
+ 4233TIP3   OH214146   6.433   2.798   2.863 -0.1964 -0.0438 -0.1667
+ 4233TIP3    H114147   6.441   2.854   2.940 -0.9957  0.2893 -0.3132
+ 4233TIP3    H214148   6.523   2.774   2.840 -0.0045 -0.7545  1.3071
+ 4234TIP3   OH214149   5.355   3.936   5.363 -0.1258 -0.5331  0.5573
+ 4234TIP3    H114150   5.407   3.864   5.327  0.7453 -0.4341  1.5983
+ 4234TIP3    H214151   5.395   4.015   5.325 -0.0348 -0.5099  0.6989
+ 4235TIP3   OH214152   0.947   3.890   3.495  0.5231 -0.2363  0.1719
+ 4235TIP3    H114153   1.036   3.857   3.485  0.8498  0.9740 -0.9179
+ 4235TIP3    H214154   0.955   3.964   3.555  0.4903  0.8507 -1.1452
+ 4236TIP3   OH214155   6.647   2.271   3.161 -0.0024  0.4561  0.1524
+ 4236TIP3    H114156   6.623   2.179   3.177  2.9963 -0.8023 -2.0645
+ 4236TIP3    H214157   6.580   2.321   3.207 -2.9601 -2.8279 -0.3254
+ 4237TIP3   OH214158   6.349   0.790   3.769 -0.2836 -0.6244  0.0571
+ 4237TIP3    H114159   6.437   0.767   3.798 -0.6504 -1.4778  0.5246
+ 4237TIP3    H214160   6.342   0.884   3.787  0.1127 -0.7922  1.1480
+ 4238TIP3   OH214161   6.673   2.698   3.084 -0.2580  0.8496  0.5827
+ 4238TIP3    H114162   6.664   2.694   2.989 -0.4773  0.5990  0.6139
+ 4238TIP3    H214163   6.623   2.623   3.116  1.0718  0.0531  0.8220
+ 4239TIP3   OH214164   5.818   2.476   2.352  0.4161 -0.3592  0.0695
+ 4239TIP3    H114165   5.896   2.437   2.392 -0.2596 -1.0883  0.7108
+ 4239TIP3    H214166   5.745   2.430   2.394 -0.3683  0.6994 -0.1187
+ 4240TIP3   OH214167   6.326   0.815   4.633  0.8588  0.1024 -0.5468
+ 4240TIP3    H114168   6.346   0.743   4.694  0.8664 -1.3473 -2.2081
+ 4240TIP3    H214169   6.390   0.883   4.654  0.6316 -0.2147  1.2874
+ 4241TIP3   OH214170   5.240   0.257   1.171  0.7960  0.0002 -0.2686
+ 4241TIP3    H114171   5.199   0.176   1.200 -0.0962  1.3811  2.5505
+ 4241TIP3    H214172   5.330   0.251   1.202  0.8879 -0.1378 -0.5582
+ 4242TIP3   OH214173   4.768   1.779   3.104 -0.2925 -0.7113 -0.0946
+ 4242TIP3    H114174   4.715   1.748   3.031 -2.9581  1.9724  0.6010
+ 4242TIP3    H214175   4.795   1.867   3.078 -0.2149 -0.2085  1.6580
+ 4243TIP3   OH214176   0.318   2.179   6.276  0.2566  0.3023  0.0030
+ 4243TIP3    H114177   0.403   2.222   6.277 -0.4889  1.7946  1.2085
+ 4243TIP3    H214178   0.333   2.097   6.229  2.5363  0.1593  0.9153
+ 4244TIP3   OH214179   6.010   3.305   0.185 -0.0177 -0.2864  0.7291
+ 4244TIP3    H114180   6.091   3.273   0.146  0.7305  0.6181  1.5329
+ 4244TIP3    H214181   5.962   3.345   0.112  0.6094 -0.1191  0.4092
+ 4245TIP3   OH214182   0.036   3.128   1.260 -0.2328 -0.2109 -0.2939
+ 4245TIP3    H114183   0.126   3.162   1.258 -0.9060  1.7337  0.8142
+ 4245TIP3    H214184   0.044   3.041   1.300  0.8646  1.1002  2.4942
+ 4246TIP3   OH214185   0.216   3.037   2.681  0.3214 -0.3062 -0.4172
+ 4246TIP3    H114186   0.151   3.056   2.748  1.7167 -1.6791  1.4178
+ 4246TIP3    H214187   0.172   2.977   2.621 -0.8262  0.6260 -0.5217
+ 4247TIP3   OH214188   6.209   3.355   4.133 -0.1332 -0.3264 -0.4700
+ 4247TIP3    H114189   6.184   3.388   4.219 -0.7691 -0.4175 -0.6210
+ 4247TIP3    H214190   6.140   3.385   4.074  0.8751  0.6835 -1.1479
+ 4248TIP3   OH214191   3.555   6.902   3.954  0.3214  0.5811 -0.8789
+ 4248TIP3    H114192   3.601   6.829   3.995 -2.0887 -1.7245 -2.1631
+ 4248TIP3    H214193   3.508   6.863   3.881 -3.1198  2.9381 -0.0341
+ 4249TIP3   OH214194   6.530   3.706   3.844  0.5812 -0.2948  0.1685
+ 4249TIP3    H114195   6.586   3.777   3.877  0.8312 -0.9233  1.0998
+ 4249TIP3    H214196   6.542   3.635   3.907 -0.8067 -0.6436  0.0437
+ 4250TIP3   OH214197   5.879   3.813   6.301  0.0376  0.0320  0.2160
+ 4250TIP3    H114198   5.879   3.752   6.227  1.4029 -1.9921  1.8234
+ 4250TIP3    H214199   5.946   3.877   6.278 -0.8946  0.5183 -1.1659
+ 4251TIP3   OH214200   0.473   2.220   1.528 -0.0767 -0.4347  0.1497
+ 4251TIP3    H114201   0.510   2.132   1.518  0.1359 -0.3575  0.2522
+ 4251TIP3    H214202   0.400   2.223   1.466 -0.5291 -0.9241  0.6534
+ 4252TIP3   OH214203   6.595   3.327   0.998 -0.7360 -0.3296  0.5963
+ 4252TIP3    H114204   6.565   3.272   1.071 -1.8828 -2.6116 -1.5319
+ 4252TIP3    H214205   6.651   3.270   0.946  0.4029  1.3968 -0.1416
+ 4253TIP3   OH214206   0.039   5.242   2.286  0.1274 -0.3776  0.1607
+ 4253TIP3    H114207   0.056   5.323   2.238 -0.3972 -0.7573 -0.6833
+ 4253TIP3    H214208   0.119   5.191   2.278  0.0410 -0.4395 -0.3248
+ 4254TIP3   OH214209   6.314   5.894   3.047 -0.1931  0.0663 -0.1925
+ 4254TIP3    H114210   6.383   5.957   3.023 -1.4161  2.2487  1.7567
+ 4254TIP3    H214211   6.358   5.832   3.106  0.3432  0.9129  0.3128
+ 4255TIP3   OH214212   0.250   6.012   3.418  0.4552  0.3394 -0.0090
+ 4255TIP3    H114213   0.186   5.998   3.349  1.1698  0.5598 -0.7290
+ 4255TIP3    H214214   0.202   6.057   3.487 -0.3350 -0.1514 -0.2433
+ 4256TIP3   OH214215   6.213   6.002   2.579  0.3934 -0.0832  0.1196
+ 4256TIP3    H114216   6.189   5.951   2.501 -0.4172 -0.9142  0.8994
+ 4256TIP3    H214217   6.167   6.085   2.568  2.7026  0.9960 -1.7639
+ 4257TIP3   OH214218   0.318   5.570   4.716  0.1847  0.7349  0.4495
+ 4257TIP3    H114219   0.327   5.491   4.663 -2.8398 -1.0097  2.3818
+ 4257TIP3    H214220   0.258   5.626   4.665  1.0550  1.1139 -0.1685
+ 4258TIP3   OH214221   0.181   4.967   5.219 -0.0979  0.0285  0.8611
+ 4258TIP3    H114222   0.195   5.032   5.150  2.2503  0.2279  1.4912
+ 4258TIP3    H214223   0.106   5.001   5.268 -1.8489 -0.1447 -1.5859
+ 4259TIP3   OH214224   0.412   5.813   2.774  0.0432  0.0016 -0.2085
+ 4259TIP3    H114225   0.324   5.778   2.786 -0.0738  0.2767 -0.2786
+ 4259TIP3    H214226   0.418   5.834   2.681  0.8202 -1.7723 -0.5903
+ 4260TIP3   OH214227   1.918   4.137   1.788  0.0689 -0.5313  0.1393
+ 4260TIP3    H114228   1.829   4.103   1.788 -0.4688  0.8015  1.1931
+ 4260TIP3    H214229   1.934   4.166   1.698 -1.0885  0.5168  0.2606
+ 4261TIP3   OH214230   0.916   4.730   3.964  0.1910  0.0194 -0.6319
+ 4261TIP3    H114231   0.874   4.740   4.049 -1.7569  0.5824 -1.6187
+ 4261TIP3    H214232   0.900   4.814   3.920  1.9961  0.0805 -1.2047
+ 4262TIP3   OH214233   1.309   4.168   3.864  0.2541 -0.4740  0.0820
+ 4262TIP3    H114234   1.400   4.198   3.871  0.1306  0.4534 -1.9704
+ 4262TIP3    H214235   1.275   4.173   3.954  1.4048  1.8007  0.4259
+ 4263TIP3   OH214236   5.417   0.368   4.797  0.1977  0.4058  0.0449
+ 4263TIP3    H114237   5.404   0.274   4.789 -4.2659  0.8134  0.7465
+ 4263TIP3    H214238   5.495   0.378   4.851  1.3334 -2.8531 -0.9189
+ 4264TIP3   OH214239   1.360   5.072   2.152  0.4646 -0.1839 -0.6124
+ 4264TIP3    H114240   1.375   5.000   2.090 -1.4929 -0.2175 -1.0935
+ 4264TIP3    H214241   1.324   5.143   2.097  2.2016  1.1007 -0.1127
+ 4265TIP3   OH214242   6.579   5.624   2.626 -0.7846  0.1516 -0.6043
+ 4265TIP3    H114243   6.533   5.708   2.634 -1.1570 -0.1908  0.8708
+ 4265TIP3    H214244   6.559   5.577   2.706  0.3196 -0.9239 -0.9353
+ 4266TIP3   OH214245   4.702   5.955   4.861  0.2682 -0.0924  0.2407
+ 4266TIP3    H114246   4.756   5.994   4.930  0.6497  0.0054 -0.1128
+ 4266TIP3    H214247   4.620   6.004   4.864  1.6001  2.3590 -1.7835
+ 4267TIP3   OH214248   0.036   2.956   3.441  0.7246 -0.1110  0.6325
+ 4267TIP3    H114249   0.085   2.906   3.506 -0.6439 -1.5521  0.5956
+ 4267TIP3    H214250   0.045   2.907   3.360 -0.4477 -0.1949  0.5408
+ 4268TIP3   OH214251   0.230   5.488   2.554 -0.1168  0.3281  0.2594
+ 4268TIP3    H114252   0.272   5.443   2.480 -2.3021 -0.0794 -0.7754
+ 4268TIP3    H214253   0.196   5.417   2.609 -1.1171  0.6677  0.0853
+ 4269TIP3   OH214254   5.363   0.318   3.909  0.6570 -0.4193  0.2160
+ 4269TIP3    H114255   5.326   0.264   3.839  0.8029 -1.4412  0.9244
+ 4269TIP3    H214256   5.443   0.273   3.935  1.1835  0.5470  0.2977
+ 4270TIP3   OH214257   1.003   4.867   3.150  0.3824 -0.1838 -0.7292
+ 4270TIP3    H114258   0.921   4.914   3.163 -0.6403 -2.4792  1.5618
+ 4270TIP3    H214259   0.983   4.799   3.087  0.5008 -0.7533 -0.1616
+ 4271TIP3   OH214260   0.251   6.108   2.140 -0.7240  0.4704 -0.3584
+ 4271TIP3    H114261   0.261   6.063   2.057 -1.1694  0.4855 -0.4186
+ 4271TIP3    H214262   0.188   6.056   2.189 -3.3152  2.4601 -1.4575
+ 4272TIP3   OH214263   3.454   6.418   3.159 -0.2673 -0.2036  0.0772
+ 4272TIP3    H114264   3.433   6.408   3.252  0.6010 -0.3079  0.2678
+ 4272TIP3    H214265   3.388   6.479   3.126  0.1536  0.8047  1.0507
+ 4273TIP3   OH214266   0.812   4.584   2.616 -0.2409  0.7581  0.1183
+ 4273TIP3    H114267   0.836   4.674   2.637  0.3413  0.1249  2.3074
+ 4273TIP3    H214268   0.784   4.546   2.700 -0.0294 -1.2240 -0.6748
+ 4274TIP3   OH214269   6.730   4.862   5.831 -0.6619 -0.0558 -0.2625
+ 4274TIP3    H114270   6.718   4.869   5.926  0.5065  0.9601 -0.1686
+ 4274TIP3    H214271   6.688   4.779   5.807 -1.1387 -0.2229  1.1116
+ 4275TIP3   OH214272   0.236   3.710   2.100  0.0830  0.3140 -0.3504
+ 4275TIP3    H114273   0.273   3.651   2.034  1.9415  0.9446  0.0895
+ 4275TIP3    H214274   0.254   3.797   2.066  1.1824  0.6418  1.0508
+ 4276TIP3   OH214275   5.849   4.745   5.118  0.4675  0.4168  0.2800
+ 4276TIP3    H114276   5.867   4.783   5.204 -0.8640 -0.8539  1.1438
+ 4276TIP3    H214277   5.903   4.666   5.115 -1.8100 -1.2429  1.2621
+ 4277TIP3   OH214278   0.655   4.661   5.323  0.0021  0.2585  0.4354
+ 4277TIP3    H114279   0.575   4.625   5.361  0.6525 -0.7345  0.9040
+ 4277TIP3    H214280   0.630   4.690   5.236 -0.6202 -1.0772  0.1608
+ 4278TIP3   OH214281   2.088   4.795   1.876  0.2789  0.0778 -0.1034
+ 4278TIP3    H114282   2.026   4.743   1.927 -0.9892  1.5908 -0.0747
+ 4278TIP3    H214283   2.172   4.781   1.919 -0.0185 -2.0138 -0.1518
+ 4279TIP3   OH214284   1.744   5.388   3.556  0.2679 -0.5963  0.3849
+ 4279TIP3    H114285   1.718   5.334   3.631 -2.0004  1.5276  1.1855
+ 4279TIP3    H214286   1.745   5.327   3.482 -2.0985 -1.7900  1.2996
+ 4280TIP3   OH214287   5.529   5.807   4.493 -0.4936 -0.4443 -0.2682
+ 4280TIP3    H114288   5.539   5.902   4.484 -3.6950  0.0406  0.7974
+ 4280TIP3    H214289   5.552   5.772   4.406  3.3035  0.9876  0.0452
+ 4281TIP3   OH214290   5.894   5.650   4.852  0.3247  0.4686 -0.1938
+ 4281TIP3    H114291   5.974   5.654   4.800 -1.1425 -1.1634 -2.6722
+ 4281TIP3    H214292   5.826   5.623   4.790 -1.8723  0.4171  2.1514
+ 4282TIP3   OH214293   5.908   6.224   5.351  0.0676  0.2625 -0.0749
+ 4282TIP3    H114294   5.814   6.217   5.368  0.0372  0.0096 -0.3364
+ 4282TIP3    H214295   5.914   6.256   5.261  0.2298 -2.6580 -1.1445
+ 4283TIP3   OH214296   0.165   5.819   3.701  0.2348  0.3272  0.5590
+ 4283TIP3    H114297   0.228   5.787   3.636 -0.5633  0.6371 -0.3893
+ 4283TIP3    H214298   0.202   5.903   3.730  0.1585  0.6135 -0.1548
+ 4284TIP3   OH214299   6.105   5.355   5.876 -0.0640  0.3559  0.1937
+ 4284TIP3    H114300   6.042   5.370   5.947  2.1666  0.1674  2.2694
+ 4284TIP3    H214301   6.133   5.443   5.850 -1.8618  0.4882 -1.4153
+ 4285TIP3   OH214302   0.857   6.617   4.902  0.3227  0.2056 -0.3500
+ 4285TIP3    H114303   0.931   6.678   4.902 -1.5617  2.5571  1.8639
+ 4285TIP3    H214304   0.783   6.669   4.870 -1.0426 -1.2688  0.3786
+ 4286TIP3   OH214305   6.483   4.217   4.445  0.0405 -0.0232 -0.0676
+ 4286TIP3    H114306   6.420   4.267   4.392  2.6366  2.5691 -0.8154
+ 4286TIP3    H214307   6.456   4.233   4.535  0.0369  1.6847 -0.3574
+ 4287TIP3   OH214308   1.971   3.300   1.632  0.4825  0.2034  0.1660
+ 4287TIP3    H114309   1.918   3.277   1.555  1.5344 -0.3489 -0.3934
+ 4287TIP3    H214310   1.925   3.258   1.705 -0.3185  0.4239 -0.2015
+ 4288TIP3   OH214311   5.706   4.348   4.953 -0.3219 -0.0999 -0.2634
+ 4288TIP3    H114312   5.719   4.393   4.870  0.0449 -0.8014 -0.5915
+ 4288TIP3    H214313   5.612   4.355   4.971 -0.2290  1.0181 -0.1779
+ 4289TIP3   OH214314   0.454   6.067   2.597 -0.0190 -0.0061  0.4905
+ 4289TIP3    H114315   0.455   6.145   2.653 -0.8673  0.7269 -0.5084
+ 4289TIP3    H214316   0.364   6.061   2.564  0.7387  0.2363 -1.7061
+ 4290TIP3   OH214317   0.539   5.050   2.758  0.2967  0.0174 -0.0114
+ 4290TIP3    H114318   0.574   5.114   2.821 -1.4402  0.9439  0.0361
+ 4290TIP3    H214319   0.616   5.023   2.707  1.4635  0.3511  1.5363
+ 4291TIP3   OH214320   6.108   5.124   3.807 -0.4018  0.1340 -0.0399
+ 4291TIP3    H114321   6.117   5.194   3.872 -0.2769  1.4624 -1.4836
+ 4291TIP3    H214322   6.171   5.057   3.837 -0.3346  0.7286  1.1983
+ 4292TIP3   OH214323   6.487   4.476   5.823 -0.0032  0.1843  0.2727
+ 4292TIP3    H114324   6.409   4.441   5.779 -1.5907  3.2953  0.4703
+ 4292TIP3    H214325   6.486   4.434   5.909 -0.6796 -0.8349 -0.2142
+ 4293TIP3   OH214326   1.782   3.874   2.087 -0.2738  0.3795 -0.2799
+ 4293TIP3    H114327   1.729   3.809   2.043 -1.1820  0.5006  0.6196
+ 4293TIP3    H214328   1.860   3.884   2.032 -1.2871  0.3773 -1.7287
+ 4294TIP3   OH214329   5.488   5.026   3.291 -0.0689  0.1765  0.7393
+ 4294TIP3    H114330   5.569   5.072   3.315 -0.1351 -0.0903  1.4876
+ 4294TIP3    H214331   5.518   4.939   3.263  0.3250  1.4643 -3.2187
+ 4295TIP3   OH214332   6.332   4.954   2.552  0.0877  0.2685 -0.1789
+ 4295TIP3    H114333   6.294   5.039   2.573  0.4040 -0.3214  3.0653
+ 4295TIP3    H214334   6.425   4.964   2.572  0.0242 -0.9997  0.8679
+ 4296TIP3   OH214335   4.810   5.800   4.669  0.2606  0.4203 -0.3538
+ 4296TIP3    H114336   4.759   5.849   4.734  0.7449 -0.8213  0.9937
+ 4296TIP3    H214337   4.898   5.798   4.705  0.0360 -2.2765  0.0884
+ 4297TIP3   OH214338   1.905   4.154   2.258  0.4906 -0.1202 -0.1010
+ 4297TIP3    H114339   1.876   4.070   2.222  3.1459 -0.8241 -0.7219
+ 4297TIP3    H214340   1.960   4.192   2.190 -0.4798  2.0349  0.2765
+ 4298TIP3   OH214341   2.090   5.125   3.668 -0.3374 -0.5056  0.1806
+ 4298TIP3    H114342   2.135   5.076   3.599 -1.1328 -1.8630  0.6070
+ 4298TIP3    H214343   2.092   5.216   3.638 -1.9584 -1.2586 -2.3632
+ 4299TIP3   OH214344   1.200   4.913   4.271 -0.1046  0.1796  0.3818
+ 4299TIP3    H114345   1.189   4.849   4.201 -3.6240  0.1180  0.8700
+ 4299TIP3    H214346   1.258   4.871   4.334  0.5148 -1.0697 -1.0022
+ 4300TIP3   OH214347   5.327   4.707   4.253  0.9124  0.4482 -0.2690
+ 4300TIP3    H114348   5.269   4.783   4.257 -1.1405 -0.9629 -2.2233
+ 4300TIP3    H214349   5.375   4.718   4.171  0.8551 -0.2110 -0.3905
+ 4301TIP3   OH214350   0.163   4.149   3.537  0.6803 -0.2903 -0.2866
+ 4301TIP3    H114351   0.176   4.137   3.443 -0.8056 -1.1045 -0.3960
+ 4301TIP3    H214352   0.237   4.105   3.578  0.5934 -1.1242 -1.0273
+ 4302TIP3   OH214353   2.384   3.709   1.041  0.2207 -0.1511  0.1553
+ 4302TIP3    H114354   2.308   3.701   0.984  0.4729 -0.2254 -0.1768
+ 4302TIP3    H214355   2.355   3.677   1.126 -0.5743  1.3083  0.4381
+ 4303TIP3   OH214356   0.618   4.482   2.458 -0.0178 -0.3957  0.1332
+ 4303TIP3    H114357   0.661   4.554   2.505 -0.3031 -0.1957  0.0896
+ 4303TIP3    H214358   0.553   4.449   2.520  0.8833 -1.3586  0.5784
+ 4304TIP3   OH214359   5.741   2.669   3.515 -0.0157 -0.6585 -0.5658
+ 4304TIP3    H114360   5.648   2.681   3.534 -0.0068 -1.0550 -0.2508
+ 4304TIP3    H214361   5.750   2.574   3.502  0.6113 -0.8248  0.9076
+ 4305TIP3   OH214362   1.737   4.427   1.450 -0.3840 -0.8671  0.1239
+ 4305TIP3    H114363   1.664   4.440   1.389 -1.1276 -1.5400  0.8634
+ 4305TIP3    H214364   1.707   4.466   1.532 -0.1403 -1.6579  0.5922
+ 4306TIP3   OH214365   1.165   6.000   2.487 -0.1030  0.0367  0.1428
+ 4306TIP3    H114366   1.196   5.935   2.423 -0.2048 -0.5638  0.6999
+ 4306TIP3    H214367   1.155   6.080   2.436  0.5080 -0.2552 -0.4488
+ 4307TIP3   OH214368   6.795   5.515   5.007 -0.0454 -0.1823  0.8859
+ 4307TIP3    H114369   6.848   5.488   4.932  0.7860 -0.8906  1.7023
+ 4307TIP3    H214370   6.770   5.432   5.049 -1.7070  0.1556  0.5850
+ 4308TIP3   OH214371   0.825   3.546   2.038 -0.1830 -0.1521  0.5185
+ 4308TIP3    H114372   0.901   3.509   1.993 -1.5996 -0.1506 -1.9450
+ 4308TIP3    H214373   0.763   3.473   2.045 -1.2945  0.6750 -0.5418
+ 4309TIP3   OH214374   0.420   5.042   4.265  0.0028 -0.3646  0.1871
+ 4309TIP3    H114375   0.492   5.015   4.209 -0.0951 -0.0978 -0.0674
+ 4309TIP3    H214376   0.456   5.039   4.354  0.2466 -0.4906  0.0818
+ 4310TIP3   OH214377   6.761   4.184   2.330 -0.3786 -0.5018  0.2156
+ 4310TIP3    H114378   6.852   4.199   2.354 -0.7460  0.7762  0.8337
+ 4310TIP3    H214379   6.765   4.134   2.249  0.8728 -1.1424  0.6678
+ 4311TIP3   OH214380   6.116   4.247   3.271  0.2516  0.1673  0.3619
+ 4311TIP3    H114381   6.209   4.254   3.249  0.4132  1.8241  1.4776
+ 4311TIP3    H214382   6.108   4.164   3.317  1.4419  0.6166  1.4134
+ 4312TIP3   OH214383   0.328   4.493   3.400  0.1174 -0.1224 -0.3226
+ 4312TIP3    H114384   0.382   4.416   3.380 -0.1769 -0.1329 -1.0726
+ 4312TIP3    H214385   0.282   4.469   3.481 -0.8035 -1.1660 -1.1470
+ 4313TIP3   OH214386   0.923   3.855   3.211  0.1587  0.3724  0.2408
+ 4313TIP3    H114387   0.830   3.837   3.193  0.3418  0.6890 -1.0837
+ 4313TIP3    H214388   0.928   3.863   3.306 -0.8621 -1.3980  0.4606
+ 4314TIP3   OH214389   0.083   4.840   2.429  0.3204 -0.2352 -0.0738
+ 4314TIP3    H114390   0.019   4.788   2.382  0.3783 -1.1931  0.9048
+ 4314TIP3    H214391   0.168   4.806   2.401  0.3663 -0.3900  0.2526
+ 4315TIP3   OH214392   6.488   5.533   1.459  0.7626 -0.0283  0.3953
+ 4315TIP3    H114393   6.489   5.474   1.383  2.0519 -0.7829  0.9847
+ 4315TIP3    H214394   6.568   5.585   1.449  0.1821  0.8807  0.4613
+ 4316TIP3   OH214395   5.410   5.563   2.574  0.0845 -0.4102 -0.4054
+ 4316TIP3    H114396   5.442   5.653   2.585 -0.1237 -0.4827  0.8155
+ 4316TIP3    H214397   5.472   5.524   2.512  0.2276  0.5458 -0.8860
+ 4317TIP3   OH214398   2.601   5.158   3.371  0.0221  0.1848  0.3361
+ 4317TIP3    H114399   2.603   5.195   3.459 -0.9158 -1.0909  0.9094
+ 4317TIP3    H214400   2.672   5.095   3.369 -0.4223 -0.3201  0.4205
+ 4318TIP3   OH214401   5.037   4.398   3.980 -0.0643 -0.1396 -0.1972
+ 4318TIP3    H114402   5.077   4.437   4.058 -2.2870 -1.3720  1.6380
+ 4318TIP3    H214403   4.997   4.472   3.935 -0.9423  0.2719  1.2091
+ 4319TIP3   OH214404   0.410   3.765   3.146 -0.1975  0.2908 -0.1008
+ 4319TIP3    H114405   0.320   3.736   3.131 -0.2909 -0.2295  1.3814
+ 4319TIP3    H214406   0.439   3.715   3.222  0.7412  1.7593  0.5273
+ 4320TIP3   OH214407   0.033   6.090   1.309 -0.2180 -0.1653 -0.0143
+ 4320TIP3    H114408   0.001   6.180   1.313  0.1020 -0.0846  1.0051
+ 4320TIP3    H214409   0.032   6.068   1.216 -0.2933  0.8944 -0.2719
+ 4321TIP3   OH214410   5.084   4.610   4.888 -0.3588  0.6660  0.4474
+ 4321TIP3    H114411   5.164   4.559   4.873 -0.8238  0.1429 -0.3383
+ 4321TIP3    H214412   5.018   4.566   4.834 -1.4467  0.4286  1.9512
+ 4322TIP3   OH214413   0.400   3.585   3.331 -0.6586 -0.4575 -0.2347
+ 4322TIP3    H114414   0.318   3.554   3.367 -0.6462 -0.4525 -0.2021
+ 4322TIP3    H214415   0.466   3.527   3.368 -0.7555 -1.1034 -1.0507
+ 4323TIP3   OH214416   2.516   6.578   2.342  0.2391  0.0956 -0.8507
+ 4323TIP3    H114417   2.537   6.515   2.411 -3.8358 -1.2864 -0.7525
+ 4323TIP3    H214418   2.569   6.551   2.267  1.0512 -1.3426  0.2224
+ 4324TIP3   OH214419   0.718   3.649   2.614  0.0064  0.6720  0.3507
+ 4324TIP3    H114420   0.753   3.650   2.703  1.0860  1.1590 -0.0695
+ 4324TIP3    H214421   0.721   3.557   2.589  2.3291  0.8389 -0.1670
+ 4325TIP3   OH214422   1.607   5.066   4.128  0.3908 -0.2249  0.1750
+ 4325TIP3    H114423   1.679   5.128   4.139 -0.0328  0.1541  0.8569
+ 4325TIP3    H214424   1.598   5.024   4.213 -0.2835 -0.1769  0.1295
+ 4326TIP3   OH214425   2.077   4.863   2.833  0.2298  0.0887  0.2512
+ 4326TIP3    H114426   2.028   4.943   2.819 -0.6628 -0.4938  0.0152
+ 4326TIP3    H214427   2.122   4.847   2.750  0.3256  0.2867  0.2651
+ 4327TIP3   OH214428   1.959   4.503   2.320  0.5998  0.2870  0.2446
+ 4327TIP3    H114429   2.006   4.581   2.291  1.7574 -0.5675 -0.2723
+ 4327TIP3    H214430   1.903   4.480   2.246  0.6702  0.3306  0.1769
+ 4328TIP3   OH214431   2.600   6.851   3.637  0.0896  0.3993 -0.6943
+ 4328TIP3    H114432   2.522   6.902   3.619 -1.1334 -1.3304 -0.3807
+ 4328TIP3    H214433   2.569   6.761   3.647  1.9927 -0.1817  0.3120
+ 4329TIP3   OH214434   6.051   5.293   1.773  0.2142  0.3183 -0.0776
+ 4329TIP3    H114435   6.117   5.358   1.798  0.1551 -0.1141  1.2433
+ 4329TIP3    H214436   6.102   5.217   1.744  0.2935  0.2731  0.1773
+ 4330TIP3   OH214437   0.389   3.519   3.861  0.1952 -0.6275 -0.6053
+ 4330TIP3    H114438   0.450   3.571   3.809 -2.6086  1.1438 -2.3107
+ 4330TIP3    H214439   0.385   3.563   3.945  0.8829 -0.4693 -0.6502
+ 4331TIP3   OH214440   5.069   6.171   5.478  0.4101 -0.3708 -0.8035
+ 4331TIP3    H114441   5.077   6.086   5.435 -0.0938 -1.2457  0.7821
+ 4331TIP3    H214442   5.083   6.152   5.571  0.7792  1.3596 -0.4932
+ 4332TIP3   OH214443   0.562   2.973   6.394 -0.1885 -0.1671 -0.2752
+ 4332TIP3    H114444   0.634   3.013   6.346  1.3521  0.0011  2.0621
+ 4332TIP3    H214445   0.532   3.041   6.454 -1.4915 -0.6326 -0.3757
+ 4333TIP3   OH214446   0.243   5.053   2.554 -0.0373  0.3245 -0.8961
+ 4333TIP3    H114447   0.201   4.967   2.562  1.7960 -0.4509  0.8743
+ 4333TIP3    H214448   0.232   5.093   2.640  0.1404  1.4110 -1.3664
+ 4334TIP3   OH214449   6.680   6.550   2.256 -0.4594  0.9953  0.9005
+ 4334TIP3    H114450   6.652   6.538   2.346  0.9852 -0.4645  1.1838
+ 4334TIP3    H214451   6.771   6.579   2.263 -0.4449  1.2074 -0.0680
+ 4335TIP3   OH214452   1.774   6.174   3.155  0.2637 -0.4293  0.6282
+ 4335TIP3    H114453   1.815   6.239   3.211  0.0219 -0.9125  1.3650
+ 4335TIP3    H214454   1.686   6.208   3.139  1.2190  1.0590 -1.6939
+ 4336TIP3   OH214455   5.504   5.363   3.309  0.2612  0.6577 -0.1703
+ 4336TIP3    H114456   5.522   5.435   3.369 -2.9573 -1.5313  3.6293
+ 4336TIP3    H214457   5.583   5.309   3.311  1.1114  1.9078  0.1428
+ 4337TIP3   OH214458   6.501   6.599   1.681  0.9487  0.2619  0.2227
+ 4337TIP3    H114459   6.542   6.623   1.765 -0.1417  0.6549  0.6522
+ 4337TIP3    H214460   6.420   6.650   1.679  1.0084  0.3153 -1.1215
+ 4338TIP3   OH214461   6.152   6.147   3.690 -0.4688 -0.3309  0.0657
+ 4338TIP3    H114462   6.120   6.231   3.656 -0.0252  0.5940  1.8393
+ 4338TIP3    H214463   6.077   6.088   3.681 -0.8954  0.3292 -0.9083
+ 4339TIP3   OH214464   0.568   4.150   3.588  0.6026 -0.2746  0.0692
+ 4339TIP3    H114465   0.643   4.186   3.635 -0.0485  1.2170 -0.0118
+ 4339TIP3    H214466   0.515   4.108   3.656  1.4322 -1.2358  0.1430
+ 4340TIP3   OH214467   0.480   5.059   4.519 -0.4565  0.9990  0.3787
+ 4340TIP3    H114468   0.506   5.130   4.577  0.5038  0.1685  0.9841
+ 4340TIP3    H214469   0.540   4.987   4.540 -0.9324  0.2559 -0.7397
+ 4341TIP3   OH214470   5.519   5.593   3.502 -0.8573  0.1269 -0.0143
+ 4341TIP3    H114471   5.485   5.673   3.541  1.2408  0.0354  2.1582
+ 4341TIP3    H214472   5.601   5.619   3.460 -0.3098 -0.8081  0.4555
+ 4342TIP3   OH214473   0.525   5.719   0.992 -0.6599  0.2910 -0.2430
+ 4342TIP3    H114474   0.531   5.743   1.085 -0.8414  1.9673 -0.6470
+ 4342TIP3    H214475   0.568   5.790   0.946  0.9753 -1.3753 -1.3712
+ 4343TIP3   OH214476   0.269  -0.029   3.875  0.6055  0.3559  0.0952
+ 4343TIP3    H114477   0.301   0.058   3.899 -2.1364  0.9494  1.7585
+ 4343TIP3    H214478   0.255  -0.024   3.781 -0.2445  1.9644  0.2967
+ 4344TIP3   OH214479   0.774   6.017   1.092 -0.3780 -0.1926 -1.0181
+ 4344TIP3    H114480   0.750   5.973   1.011  1.5045 -0.4628 -1.4595
+ 4344TIP3    H214481   0.735   6.104   1.085 -1.4990 -0.7349 -1.5234
+ 4345TIP3   OH214482   6.734   3.561   1.953 -0.0562 -0.1998 -0.2587
+ 4345TIP3    H114483   6.655   3.577   2.005 -0.5910 -1.3996 -0.7010
+ 4345TIP3    H214484   6.703   3.518   1.874  1.2120 -2.2429  0.3105
+ 4346TIP3   OH214485   6.628   4.961   2.635 -0.0750  0.4424  0.4066
+ 4346TIP3    H114486   6.663   4.873   2.625 -0.6354  0.1997  0.5751
+ 4346TIP3    H214487   6.690   5.017   2.588  0.9139  0.1075  1.2932
+ 4347TIP3   OH214488   6.499   0.199   5.713 -0.4054 -0.2023  0.4051
+ 4347TIP3    H114489   6.564   0.167   5.651 -0.9702 -0.8216  0.1314
+ 4347TIP3    H214490   6.545   0.265   5.765 -0.2308  1.1484 -1.4237
+ 4348TIP3   OH214491   6.434   5.467   2.072  0.6892  0.7332 -0.3614
+ 4348TIP3    H114492   6.489   5.529   2.025  0.4505  1.3687  0.1889
+ 4348TIP3    H214493   6.486   5.443   2.149  1.4663 -1.0057 -1.4053
+ 4349TIP3   OH214494   2.864   4.168   2.063  0.0832 -0.4587  0.2254
+ 4349TIP3    H114495   2.949   4.132   2.036  0.8179  0.1058  1.7356
+ 4349TIP3    H214496   2.873   4.262   2.046 -0.7047 -0.5544 -0.7764
+ 4350TIP3   OH214497   5.536   5.239   2.854 -0.4966  0.1975 -0.0113
+ 4350TIP3    H114498   5.526   5.162   2.798  0.9211 -1.6378  2.1534
+ 4350TIP3    H214499   5.469   5.228   2.921 -0.0306  0.6571  0.5266
+ 4351TIP3   OH214500   1.974   5.874   2.791  0.2614 -0.4958  0.0440
+ 4351TIP3    H114501   1.996   5.915   2.875  2.8366  0.9267 -1.2566
+ 4351TIP3    H214502   1.878   5.874   2.789  0.1722  1.3512  2.0973
+ 4352TIP3   OH214503   6.722   0.153   1.837  0.2247 -0.0688  0.1281
+ 4352TIP3    H114504   6.797   0.207   1.813 -0.2371 -0.1029 -1.4532
+ 4352TIP3    H214505   6.649   0.214   1.845  0.1619 -0.1876  0.4867
+ 4353TIP3   OH214506   0.152   4.556   2.807 -0.5934 -0.7754  0.1682
+ 4353TIP3    H114507   0.169   4.539   2.714  0.1868 -0.1551  0.1873
+ 4353TIP3    H214508   0.132   4.650   2.810 -0.4237 -0.7574  0.6595
+ 4354TIP3   OH214509   2.271   5.138   3.222 -0.3669 -0.2093 -0.4729
+ 4354TIP3    H114510   2.361   5.106   3.227 -0.2726 -0.0557 -1.1840
+ 4354TIP3    H214511   2.272   5.200   3.149 -0.6591  1.0540  0.5844
+ 4355TIP3   OH214512   0.795   6.112   2.327 -0.3836 -0.1011  0.3640
+ 4355TIP3    H114513   0.850   6.076   2.397 -0.1778  0.8630  0.7007
+ 4355TIP3    H214514   0.824   6.067   2.248  1.3801  0.9130  0.4126
+ 4356TIP3   OH214515   1.019   2.686   1.609  0.3376 -0.7116 -0.5232
+ 4356TIP3    H114516   1.068   2.753   1.562 -0.2013  0.4389  0.5297
+ 4356TIP3    H214517   0.940   2.731   1.640 -0.9512 -2.2896 -1.3877
+ 4357TIP3   OH214518   5.904   4.253   3.103  0.0243 -0.0939  0.2509
+ 4357TIP3    H114519   5.968   4.245   3.173  0.5773 -0.4460 -0.2953
+ 4357TIP3    H214520   5.954   4.284   3.028 -0.7143  1.1288  0.2380
+ 4358TIP3   OH214521   6.842   4.859   3.176 -0.5106 -0.3505  0.4793
+ 4358TIP3    H114522   6.815   4.942   3.216  1.5240  1.1127 -1.1029
+ 4358TIP3    H214523   6.801   4.859   3.090  1.0267 -0.0557 -0.2807
+ 4359TIP3   OH214524   1.360   3.902   2.413  0.2979  0.0103  0.3242
+ 4359TIP3    H114525   1.357   3.956   2.334 -0.8034 -0.2922  0.1513
+ 4359TIP3    H214526   1.287   3.934   2.467 -2.1221 -3.0719 -0.9537
+ 4360TIP3   OH214527   1.430   4.991   3.311  0.7422  0.2962 -0.0422
+ 4360TIP3    H114528   1.410   4.927   3.242  0.8837 -0.9392  1.0456
+ 4360TIP3    H214529   1.498   4.949   3.363  0.4907  1.1443  0.9819
+ 4361TIP3   OH214530   0.427   2.725   3.478  0.2965 -0.4831 -0.1220
+ 4361TIP3    H114531   0.439   2.640   3.437 -1.1554 -0.6898 -0.1501
+ 4361TIP3    H214532   0.508   2.772   3.460  0.1775 -1.0010 -2.1862
+ 4362TIP3   OH214533   6.324   4.659   2.215  0.0033 -0.3837  0.1690
+ 4362TIP3    H114534   6.262   4.698   2.278  1.0411 -0.5745  1.3162
+ 4362TIP3    H214535   6.268   4.626   2.145 -1.2246 -0.7033  1.2705
+ 4363TIP3   OH214536   1.564   4.940   5.539 -0.0354  0.2958  0.3771
+ 4363TIP3    H114537   1.524   4.939   5.626 -0.7241  1.2499  0.0816
+ 4363TIP3    H214538   1.502   4.989   5.485 -0.0654 -1.0771 -0.8695
+ 4364TIP3   OH214539   0.524   4.824   4.751  0.2407 -0.2432  0.0846
+ 4364TIP3    H114540   0.544   4.900   4.805 -0.0363 -0.3479  0.3435
+ 4364TIP3    H214541   0.603   4.770   4.755 -0.0632 -0.6382  1.0684
+ 4365TIP3   OH214542   1.606   4.246   2.179 -0.7081 -0.1148 -0.1116
+ 4365TIP3    H114543   1.624   4.209   2.093 -0.2419 -0.8593  0.2968
+ 4365TIP3    H214544   1.666   4.319   2.187 -1.8950  0.9916 -1.0794
+ 4366TIP3   OH214545   1.781   1.869   3.334 -0.2594 -0.0769 -0.4894
+ 4366TIP3    H114546   1.729   1.902   3.407 -0.9444  1.3609 -1.5930
+ 4366TIP3    H214547   1.859   1.831   3.375 -1.3662 -0.7071  1.0644
+ 4367TIP3   OH214548   0.580   3.622   1.778 -0.2275 -0.1264 -0.0075
+ 4367TIP3    H114549   0.539   3.621   1.864 -0.1921  1.6898  0.0409
+ 4367TIP3    H214550   0.669   3.653   1.794  0.2209 -1.1372 -0.5180
+ 4368TIP3   OH214551   5.617   4.300   2.805  0.3102  0.2735 -0.2888
+ 4368TIP3    H114552   5.649   4.257   2.726  1.5781  0.1232  0.2826
+ 4368TIP3    H214553   5.565   4.233   2.850  1.5660 -0.4082  0.1734
+ 4369TIP3   OH214554   1.198   4.845   2.807 -0.2252 -0.0070  0.3157
+ 4369TIP3    H114555   1.276   4.854   2.751  0.6778 -1.5232  1.2662
+ 4369TIP3    H214556   1.220   4.895   2.886 -0.1207 -0.5863  0.6591
+ 4370TIP3   OH214557   6.757   2.412   1.253  0.0186  0.1491  0.1002
+ 4370TIP3    H114558   6.780   2.321   1.267  1.2433  0.2638 -0.9825
+ 4370TIP3    H214559   6.663   2.411   1.237 -0.0284 -0.8810  0.4022
+ 4371TIP3   OH214560   2.437   5.335   0.024  0.3596 -0.7751  0.1993
+ 4371TIP3    H114561   2.456   5.312   0.115  0.5965 -0.8468  0.1343
+ 4371TIP3    H214562   2.344   5.357   0.023  0.9600  1.9251  1.0148
+ 4372TIP3   OH214563   5.146   5.785   3.342 -0.0610  0.5274  0.1716
+ 4372TIP3    H114564   5.075   5.721   3.348  0.2754  0.0788 -0.6299
+ 4372TIP3    H214565   5.181   5.789   3.431  1.9610 -2.7651 -0.3915
+ 4373TIP3   OH214566   5.789   4.795   3.635  0.4389  0.4803 -0.3238
+ 4373TIP3    H114567   5.733   4.744   3.578  0.3172 -2.5483  2.3745
+ 4373TIP3    H214568   5.739   4.875   3.653 -2.3553 -1.4089  0.6887
+ 4374TIP3   OH214569   1.746   0.325   0.560 -0.1854  0.1436 -0.2059
+ 4374TIP3    H114570   1.809   0.254   0.569 -0.3929 -0.2383 -1.6536
+ 4374TIP3    H214571   1.699   0.326   0.643 -0.5019 -1.7297 -0.3445
+ 4375TIP3   OH214572   0.017   6.381   3.182  0.1430 -0.1121  0.0305
+ 4375TIP3    H114573   0.094   6.332   3.154  1.6641 -0.1561  4.0061
+ 4375TIP3    H214574  -0.025   6.324   3.246 -2.3763  0.6060 -0.9171
+ 4376TIP3   OH214575   0.666   2.870   0.282  0.1048  0.0119  0.1272
+ 4376TIP3    H114576   0.674   2.910   0.369  1.0596  0.1493 -0.0163
+ 4376TIP3    H214577   0.589   2.814   0.288 -0.4387  0.8141  0.7496
+ 4377TIP3   OH214578   5.806   4.857   4.404  0.1045 -0.0427 -0.2508
+ 4377TIP3    H114579   5.783   4.844   4.312  0.5699 -0.5856 -0.2928
+ 4377TIP3    H214580   5.749   4.928   4.433  0.2013  0.3619 -1.0506
+ 4378TIP3   OH214581   1.164   2.614   0.137  0.0415  0.6980  0.5683
+ 4378TIP3    H114582   1.204   2.677   0.197 -0.8961  0.4002  1.5283
+ 4378TIP3    H214583   1.073   2.645   0.128 -0.2088 -0.0740  0.4352
+ 4379TIP3   OH214584   6.460   4.061   3.150  0.1906  0.2000 -0.1911
+ 4379TIP3    H114585   6.545   4.105   3.146  1.0896 -1.3411  0.9475
+ 4379TIP3    H214586   6.398   4.124   3.115  1.9634  0.9734 -2.0511
+ 4380TIP3   OH214587   2.051   5.279   5.472  0.2323 -0.2487  0.2391
+ 4380TIP3    H114588   1.975   5.314   5.519  1.7155 -0.3184  2.7933
+ 4380TIP3    H214589   2.065   5.340   5.400 -0.8188  1.0764  1.1364
+ 4381TIP3   OH214590   5.127   4.779   3.649  0.1090  0.3245  0.1558
+ 4381TIP3    H114591   5.196   4.739   3.701  0.2669  1.6324  0.9855
+ 4381TIP3    H214592   5.098   4.854   3.701 -2.5158 -0.6846  0.2110
+ 4382TIP3   OH214593   1.418   3.675   5.220 -0.4648 -0.0848  0.0682
+ 4382TIP3    H114594   1.490   3.695   5.161 -0.0617  0.2692  0.6747
+ 4382TIP3    H214595   1.341   3.668   5.163 -0.0637  0.1478 -0.5049
+ 4383TIP3   OH214596   1.833   4.534   3.791 -0.3135  0.1564 -0.1219
+ 4383TIP3    H114597   1.865   4.594   3.858 -0.5524 -0.1547  0.2745
+ 4383TIP3    H214598   1.826   4.450   3.836 -1.5982  0.2032 -0.2285
+ 4384TIP3   OH214599   2.360   4.738   2.226  0.2851 -0.0188 -0.0059
+ 4384TIP3    H114600   2.419   4.672   2.261  1.9661  0.3126 -2.1693
+ 4384TIP3    H214601   2.316   4.774   2.303  2.4627 -0.6694  1.5607
+ 4385TIP3   OH214602   1.201   4.232   2.736  0.2970 -0.0421  0.3812
+ 4385TIP3    H114603   1.150   4.303   2.699 -0.3176 -0.2986  0.7335
+ 4385TIP3    H214604   1.188   4.239   2.830  1.2798  0.1716  0.5021
+ 4386TIP3   OH214605   1.036   3.651   3.066 -0.2334  0.6163  0.0194
+ 4386TIP3    H114606   1.011   3.725   3.121  0.5186  1.4612 -0.7530
+ 4386TIP3    H214607   1.130   3.663   3.051 -0.0107 -0.7341  0.2325
+ 4387TIP3   OH214608   6.179   4.800   2.407  0.5750  0.1574 -0.6402
+ 4387TIP3    H114609   6.091   4.786   2.442  1.1280  1.2922  1.2630
+ 4387TIP3    H214610   6.222   4.857   2.470  3.0687 -1.2654 -0.9580
+ 4388TIP3   OH214611   5.747   4.428   1.822 -0.9775  0.1462  0.1748
+ 4388TIP3    H114612   5.681   4.390   1.764 -1.0384 -0.2746  0.5136
+ 4388TIP3    H214613   5.790   4.352   1.861  1.9213  0.3333 -2.5029
+ 4389TIP3   OH214614   0.696   5.367   2.710 -0.0196 -0.2692 -0.0645
+ 4389TIP3    H114615   0.659   5.382   2.623  1.1507 -1.4023 -0.7623
+ 4389TIP3    H214616   0.632   5.311   2.754 -0.9420  0.8613  0.0557
+ 4390TIP3   OH214617   4.934   5.291   3.091 -0.4527  0.2116  0.0094
+ 4390TIP3    H114618   4.888   5.356   3.146 -0.7441 -0.3793  0.4706
+ 4390TIP3    H214619   4.892   5.299   3.005  0.1862  1.3315 -0.2043
+ 4391TIP3   OH214620   0.050   6.663   3.132  0.0377 -0.2203 -0.4119
+ 4391TIP3    H114621   0.036   6.575   3.164 -3.5043  0.0014 -1.1984
+ 4391TIP3    H214622   0.049   6.718   3.210  3.4131 -0.8991  0.2112
+ 4392TIP3   OH214623   6.032   0.865   3.651 -0.1562 -0.4473 -0.0208
+ 4392TIP3    H114624   6.109   0.834   3.699  1.3209  1.2720 -1.2284
+ 4392TIP3    H214625   6.023   0.957   3.677 -1.2170 -0.3743 -0.6426
+ 4393TIP3   OH214626   1.968   5.651   2.237  0.3336 -0.0588 -0.2274
+ 4393TIP3    H114627   1.910   5.677   2.165  2.4685 -0.9271 -2.3268
+ 4393TIP3    H214628   2.046   5.616   2.194  1.5078 -0.9915  2.5301
+ 4394TIP3   OH214629   1.285   5.047   1.546 -0.2761  0.5346  0.1320
+ 4394TIP3    H114630   1.216   5.108   1.570 -1.9993 -0.1119 -2.9164
+ 4394TIP3    H214631   1.305   5.067   1.454  2.0960 -0.7100  0.3189
+ 4395TIP3   OH214632   0.454   4.811   2.871 -0.3707 -0.2262  0.0227
+ 4395TIP3    H114633   0.366   4.798   2.905  0.1794 -1.7639  0.8807
+ 4395TIP3    H214634   0.452   4.899   2.832 -2.0676  0.0306  0.6676
+ 4396TIP3   OH214635   2.538   6.381   2.536 -1.4307  0.1558 -0.3713
+ 4396TIP3    H114636   2.599   6.437   2.583 -1.6272  0.1875 -0.1505
+ 4396TIP3    H214637   2.459   6.380   2.591 -1.9347  0.8003 -1.0642
+ 4397TIP3   OH214638   1.626   3.899   2.319 -0.1343 -0.1021 -0.3160
+ 4397TIP3    H114639   1.579   3.976   2.288 -0.6186  0.0959  0.8659
+ 4397TIP3    H214640   1.687   3.877   2.248 -0.8292  0.6500 -1.1517
+ 4398TIP3   OH214641   0.772   3.763   1.877  0.5272  0.2452 -0.7228
+ 4398TIP3    H114642   0.773   3.859   1.877 -0.8992  0.2908  0.4794
+ 4398TIP3    H214643   0.800   3.740   1.966 -1.0716 -0.3794 -0.3604
+ 4399TIP3   OH214644   0.475   3.724   2.277 -0.0146  0.1145  0.0222
+ 4399TIP3    H114645   0.522   3.643   2.298  0.5419  0.6609  0.8948
+ 4399TIP3    H214646   0.399   3.694   2.227 -0.9069 -1.1430  2.0471
+ 4400TIP3   OH214647   0.572   4.838   1.739 -0.2259  0.2965 -1.0461
+ 4400TIP3    H114648   0.612   4.759   1.702  1.0961 -0.3392  1.6219
+ 4400TIP3    H214649   0.613   4.910   1.690  2.0248 -0.4920 -0.3808
+ 4401TIP3   OH214650   3.311   4.968   2.476 -0.2674 -0.3847 -0.0743
+ 4401TIP3    H114651   3.222   4.956   2.510 -0.0058 -2.0918  0.0608
+ 4401TIP3    H214652   3.299   5.015   2.393 -1.2731 -0.3933  0.0637
+ 4402TIP3   OH214653   0.768   2.095   0.275 -0.2244  0.1563  0.1866
+ 4402TIP3    H114654   0.706   2.031   0.242  1.9660 -0.9512 -1.9956
+ 4402TIP3    H214655   0.836   2.043   0.317  0.6523  1.1573  0.0366
+ 4403TIP3   OH214656   4.553   0.322   4.591  0.4329  0.2776 -0.9085
+ 4403TIP3    H114657   4.603   0.278   4.659  0.6839  0.5915 -0.8902
+ 4403TIP3    H214658   4.528   0.406   4.629 -0.8521 -0.2323 -0.6004
+ 4404TIP3   OH214659   0.540   3.279   2.937 -0.1598 -0.2628 -0.0237
+ 4404TIP3    H114660   0.470   3.317   2.991 -0.8546  0.4534 -1.4021
+ 4404TIP3    H214661   0.498   3.261   2.853  1.1028 -0.6306 -0.5774
+ 4405TIP3   OH214662   0.793   5.490   3.004  0.4369 -0.0795 -0.1583
+ 4405TIP3    H114663   0.826   5.430   3.071 -0.0748 -0.8818 -0.6241
+ 4405TIP3    H214664   0.745   5.557   3.054 -1.2564 -1.5177  0.1794
+ 4406TIP3   OH214665   6.639   3.247   0.726 -0.2647  0.0369  0.4475
+ 4406TIP3    H114666   6.582   3.308   0.680  1.5450  2.3070  1.0968
+ 4406TIP3    H214667   6.708   3.226   0.662 -0.2968 -0.5117  0.5864
+ 4407TIP3   OH214668   2.426   4.043   2.079  0.6089 -0.3139 -0.0385
+ 4407TIP3    H114669   2.446   4.121   2.131 -0.7007  0.6808 -0.9694
+ 4407TIP3    H214670   2.381   3.985   2.140  0.4521  0.1965  0.3428
+ 4408TIP3   OH214671   0.448   3.843   4.398 -0.4875 -0.4773  0.0768
+ 4408TIP3    H114672   0.436   3.750   4.375 -0.0992 -0.6561  0.5956
+ 4408TIP3    H214673   0.393   3.856   4.474  1.2807 -0.8904  1.4672
+ 4409TIP3   OH214674   0.699   4.139   3.154 -0.3197 -0.2238 -0.4158
+ 4409TIP3    H114675   0.711   4.085   3.232  1.9962 -0.1951 -0.7199
+ 4409TIP3    H214676   0.659   4.080   3.089  0.3305 -0.9988 -0.1057
+ 4410TIP3   OH214677   6.209   5.836   0.581  0.5341  0.0125 -0.1567
+ 4410TIP3    H114678   6.274   5.805   0.644  1.8991 -1.8740 -2.4460
+ 4410TIP3    H214679   6.180   5.757   0.535 -3.1333  0.8594  0.5285
+ 4411TIP3   OH214680   0.296   5.125   2.297 -0.1697 -0.2573  0.0759
+ 4411TIP3    H114681   0.300   5.107   2.391 -0.1666  1.2240  0.3585
+ 4411TIP3    H214682   0.342   5.051   2.257  1.0610 -0.1881  1.3235
+ 4412TIP3   OH214683   6.015   3.478   3.435  0.2729  0.0577 -0.0521
+ 4412TIP3    H114684   5.959   3.516   3.367 -0.8250 -2.4303 -0.6213
+ 4412TIP3    H214685   5.964   3.488   3.516 -0.3954 -0.8908 -0.3369
+ 4413TIP3   OH214686   0.424   4.343   2.621  0.4131  0.0465 -0.6003
+ 4413TIP3    H114687   0.430   4.253   2.589 -0.3650 -0.1144 -0.2893
+ 4413TIP3    H214688   0.342   4.376   2.586  0.3623  0.4130 -0.1396
+ 4414TIP3   OH214689   6.435   2.093   0.785  0.6300  0.3972 -0.1139
+ 4414TIP3    H114690   6.357   2.041   0.802  0.8396 -0.0455 -0.4916
+ 4414TIP3    H214691   6.481   2.096   0.869  0.6647 -0.1114 -0.1131
+ 4415TIP3   OH214692   2.514   6.298   3.370 -0.1413  0.3028  0.8916
+ 4415TIP3    H114693   2.570   6.280   3.295 -0.9068 -1.1101  0.6390
+ 4415TIP3    H214694   2.536   6.388   3.396 -0.2118  0.9772 -1.3130
+ 4416TIP3   OH214695   6.053   5.259   3.401  0.0627 -0.1524  0.2400
+ 4416TIP3    H114696   5.992   5.216   3.461  0.9147 -0.8957  0.5954
+ 4416TIP3    H214697   6.082   5.189   3.342 -0.8109  0.5832 -1.0983
+ 4417TIP3   OH214698   6.169   5.012   4.411  0.3690 -0.3887  0.1104
+ 4417TIP3    H114699   6.169   4.960   4.332 -0.9507 -0.5422  0.2112
+ 4417TIP3    H214700   6.262   5.025   4.431  0.7008 -0.9697 -1.0345
+ 4418TIP3   OH214701   6.393   3.966   4.642  0.4910  0.0946 -0.1671
+ 4418TIP3    H114702   6.327   4.021   4.600 -0.5971 -0.8170  0.3068
+ 4418TIP3    H214703   6.431   3.915   4.571  0.9526  0.8829 -0.4956
+ 4419TIP3   OH214704   0.502   0.316   6.755  0.6537 -0.4324 -0.1654
+ 4419TIP3    H114705   0.489   0.365   6.673  2.7666  1.1878  0.4138
+ 4419TIP3    H214706   0.591   0.282   6.748  1.4812  1.1858  2.1832
+ 4420TIP3   OH214707   0.914   4.622   3.560  0.0876  0.7051  0.5252
+ 4420TIP3    H114708   0.938   4.631   3.468  0.3858 -0.6498  0.4559
+ 4420TIP3    H214709   0.824   4.590   3.558  0.0424  0.8175  0.7137
+ 4421TIP3   OH214710   0.079   3.669   0.891 -0.0616  0.2686  0.1176
+ 4421TIP3    H114711   0.091   3.644   0.983  2.7895 -0.3896 -0.3782
+ 4421TIP3    H214712   0.075   3.586   0.844  0.3249  0.6373 -0.5616
+ 4422TIP3   OH214713   1.281   5.938   4.985 -0.2634 -0.5542 -0.3270
+ 4422TIP3    H114714   1.216   5.903   4.924 -0.5573  0.0412 -0.3620
+ 4422TIP3    H214715   1.303   6.024   4.949 -0.6714 -0.0640  0.5869
+ 4423TIP3   OH214716   0.334   5.415   1.878  0.0164  0.0371  0.0731
+ 4423TIP3    H114717   0.350   5.321   1.870 -0.4998  0.1235 -2.1228
+ 4423TIP3    H214718   0.349   5.450   1.790  2.8162  2.4418  1.3993
+ 4424TIP3   OH214719   0.812   4.877   3.433  0.2590 -0.1226 -0.6202
+ 4424TIP3    H114720   0.768   4.901   3.515  1.0552 -1.7050  0.3010
+ 4424TIP3    H214721   0.746   4.891   3.365 -0.3974  1.2753  0.2707
+ 4425TIP3   OH214722   0.226   4.823   0.029 -0.3478  0.2960  0.0661
+ 4425TIP3    H114723   0.200   4.792   0.116 -2.2524  2.6581  0.4091
+ 4425TIP3    H214724   0.153   4.798  -0.028  0.1045  0.2777 -0.5081
+ 4426TIP3   OH214725   1.710   5.101   5.345 -0.7751  0.0795  0.4307
+ 4426TIP3    H114726   1.717   5.196   5.346 -0.0044  0.0277  0.1039
+ 4426TIP3    H214727   1.653   5.081   5.419 -2.3024  0.8888 -0.5117
+ 4427TIP3   OH214728   1.216   4.982   3.045 -0.1792  0.6623 -0.3990
+ 4427TIP3    H114729   1.164   4.934   3.109 -0.9447 -0.0841 -1.5764
+ 4427TIP3    H214730   1.238   5.065   3.089 -0.4982  0.0655  0.9021
+ 4428TIP3   OH214731   5.985   4.822   3.429  0.5139 -0.5194  0.2953
+ 4428TIP3    H114732   6.043   4.879   3.479  0.2275 -0.4137  0.5068
+ 4428TIP3    H214733   5.926   4.784   3.494  1.1786 -1.6364  0.2541
+ 4429TIP3   OH214734   0.180   4.079   3.243 -0.3233 -0.8396 -0.7418
+ 4429TIP3    H114735   0.269   4.045   3.248 -0.5940 -1.4384  0.1174
+ 4429TIP3    H214736   0.145   4.041   3.163 -0.2546 -1.7141 -0.3636
+ 4430TIP3   OH214737   5.046   4.546   3.482 -0.3392  0.2265  0.0760
+ 4430TIP3    H114738   5.028   4.608   3.553 -0.0102 -0.7206  0.9940
+ 4430TIP3    H214739   5.036   4.460   3.522 -2.1383 -0.3409 -1.5314
+ 4431TIP3   OH214740   1.591   5.517   2.044 -0.6002  0.1936  0.0018
+ 4431TIP3    H114741   1.575   5.553   2.132 -0.5652  1.6061 -0.5500
+ 4431TIP3    H214742   1.629   5.431   2.060 -1.9538 -0.1785  1.3722
+ 4432TIP3   OH214743   6.620   2.025   1.064 -0.1404 -0.4529  0.0642
+ 4432TIP3    H114744   6.678   1.956   1.097 -0.8567 -1.2365 -0.3147
+ 4432TIP3    H214745   6.532   1.998   1.090 -0.2640  1.1873  1.4218
+ 4433TIP3   OH214746   1.216   5.649   2.349  0.1141  0.5393 -0.5848
+ 4433TIP3    H114747   1.259   5.574   2.390 -1.0818  0.2035  0.0894
+ 4433TIP3    H214748   1.168   5.612   2.275 -0.8080  0.5643 -0.0080
+ 4434TIP3   OH214749   6.831   2.998   1.546  0.7556  0.4707  0.4373
+ 4434TIP3    H114750   6.788   3.068   1.595 -0.1946 -0.2629  0.6780
+ 4434TIP3    H214751   6.824   2.922   1.602  0.4701 -0.1621 -0.4421
+ 4435TIP3   OH214752   6.809   6.045   2.724 -0.0007  0.4087 -0.1797
+ 4435TIP3    H114753   6.746   6.071   2.657 -1.5769 -2.4433  0.1323
+ 4435TIP3    H214754   6.877   5.997   2.677  0.7280  1.4307 -0.1878
+ 4436TIP3   OH214755   2.491   5.845   1.323 -0.1244 -0.7941  0.4884
+ 4436TIP3    H114756   2.431   5.913   1.290  3.0374  1.0148 -1.7580
+ 4436TIP3    H214757   2.516   5.796   1.245  3.7394  0.4726  0.8698
+ 4437TIP3   OH214758   6.150   6.428   2.939 -0.4022 -0.4314  0.1791
+ 4437TIP3    H114759   6.070   6.423   2.887 -0.3296 -2.0942  0.2088
+ 4437TIP3    H214760   6.212   6.370   2.895  0.8315  0.9085  0.1098
+ 4438TIP3   OH214761   2.251   5.755   4.371 -0.2362 -0.0316  0.0065
+ 4438TIP3    H114762   2.185   5.744   4.303 -0.9392 -0.1263  0.6978
+ 4438TIP3    H214763   2.222   5.832   4.420  0.1145 -0.1296  0.3702
+ 4439TIP3   OH214764   0.344   5.382   2.324  0.0073  0.0611  0.0571
+ 4439TIP3    H114765   0.311   5.441   2.257  1.5936 -0.0650 -0.8447
+ 4439TIP3    H214766   0.333   5.295   2.287  2.5244  0.0873 -0.7823
+ 4440TIP3   OH214767   0.589   5.384   0.075 -0.2499  0.3113 -0.0218
+ 4440TIP3    H114768   0.602   5.479   0.078 -1.1574  0.4581 -0.6769
+ 4440TIP3    H214769   0.496   5.373   0.059 -0.2450 -0.7032  0.6371
+ 4441TIP3   OH214770   2.182   6.013   2.936 -0.2449 -0.1207 -0.4351
+ 4441TIP3    H114771   2.209   5.981   2.850  0.5431  1.7364 -0.9083
+ 4441TIP3    H214772   2.130   6.091   2.917 -0.8532 -0.2300  0.7449
+ 4442TIP3   OH214773   0.915   4.243   4.079  0.5312  0.4865  1.3104
+ 4442TIP3    H114774   0.899   4.310   4.012 -0.9914 -0.3463  0.8139
+ 4442TIP3    H214775   1.009   4.249   4.097  0.7195  1.5998  0.0377
+ 4443TIP3   OH214776   3.415   4.756   2.682  0.5259  0.3176 -0.5522
+ 4443TIP3    H114777   3.389   4.666   2.665 -1.4024  0.4529  1.3968
+ 4443TIP3    H214778   3.393   4.802   2.600 -1.4584 -0.4173 -0.4788
+ 4444TIP3   OH214779   5.267   4.189   1.140 -0.2470  0.3625  0.6505
+ 4444TIP3    H114780   5.308   4.176   1.055 -0.7651 -0.1761  0.4765
+ 4444TIP3    H214781   5.197   4.123   1.143 -0.9248  1.0840  1.0392
+ 4445TIP3   OH214782   2.966   5.345   1.719 -0.4889  0.6254  1.3081
+ 4445TIP3    H114783   2.990   5.418   1.776  1.1385  0.9197  0.2887
+ 4445TIP3    H214784   2.940   5.386   1.637  0.2132  0.0837  0.8057
+ 4446TIP3   OH214785   3.453   4.116   2.178  0.0324  0.3881 -0.3347
+ 4446TIP3    H114786   3.370   4.115   2.225  0.1569 -0.5241 -0.1143
+ 4446TIP3    H214787   3.439   4.176   2.105 -0.9530 -0.0740 -0.5353
+ 4447TIP3   OH214788   2.932   4.795   2.398 -0.3424 -0.4096  0.2511
+ 4447TIP3    H114789   2.856   4.754   2.439 -0.8306  0.6267  0.3948
+ 4447TIP3    H214790   2.942   4.879   2.443 -0.9503  0.7945 -1.7838
+ 4448TIP3   OH214791   0.635   5.462   1.086  0.2640  0.2985  0.1191
+ 4448TIP3    H114792   0.653   5.483   1.178  0.3705 -0.2335  0.2214
+ 4448TIP3    H214793   0.609   5.546   1.047  2.2986  0.9457  0.1271
+ 4449TIP3   OH214794   3.624   5.380   2.768 -0.3610 -0.5423  0.9561
+ 4449TIP3    H114795   3.539   5.416   2.744 -0.7906 -0.9618  1.8174
+ 4449TIP3    H214796   3.686   5.423   2.709 -1.0992  0.1833  0.7030
+ 4450TIP3   OH214797   1.731   0.701   1.974  0.3121 -0.6687 -0.4833
+ 4450TIP3    H114798   1.638   0.688   1.954  0.5626 -1.8901 -0.8958
+ 4450TIP3    H214799   1.734   0.707   2.070 -0.3644  0.9030 -0.5363
+ 4451TIP3   OH214800   0.975   5.530   2.570  0.0065  0.0813 -0.3453
+ 4451TIP3    H114801   1.052   5.532   2.627 -1.1556  0.7487  1.2077
+ 4451TIP3    H214802   1.006   5.487   2.490  1.9600  0.2323  0.3075
+ 4452TIP3   OH214803   3.626   5.228   3.252  0.0241  0.0649 -0.0706
+ 4452TIP3    H114804   3.660   5.307   3.295  1.3206 -0.5394  0.0262
+ 4452TIP3    H214805   3.573   5.186   3.320 -1.2991  1.2339 -0.3563
+ 4453TIP3   OH214806   0.176   5.723   2.880  0.1849 -0.2498 -0.2349
+ 4453TIP3    H114807   0.096   5.775   2.873  1.0238  1.1259  0.2483
+ 4453TIP3    H214808   0.152   5.651   2.939 -0.4934  0.5757  0.5149
+ 4454TIP3   OH214809   4.024   6.076   2.133 -0.5277  0.3600  0.4122
+ 4454TIP3    H114810   4.109   6.105   2.168  0.2309 -1.7614  0.3953
+ 4454TIP3    H214811   3.960   6.107   2.197  0.3442  1.2108  0.8840
+ 4455TIP3   OH214812   1.168   4.826   1.936 -0.0533 -0.3103 -0.2009
+ 4455TIP3    H114813   1.205   4.750   1.981 -1.0574 -0.2627  0.7194
+ 4455TIP3    H214814   1.207   4.823   1.848  1.5355 -0.6785  0.4953
+ 4456TIP3   OH214815   3.718   6.551   2.340 -0.0327 -0.1216 -0.2686
+ 4456TIP3    H114816   3.740   6.629   2.391  0.1020  0.9442 -1.9277
+ 4456TIP3    H214817   3.654   6.504   2.394 -0.0377  1.0797  0.7858
+ 4457TIP3   OH214818   2.185   6.554   1.123 -0.1016 -0.5142  0.6021
+ 4457TIP3    H114819   2.230   6.610   1.187  0.3220  0.3590 -0.4493
+ 4457TIP3    H214820   2.092   6.567   1.141 -0.0022  0.3243  0.5548
+ 4458TIP3   OH214821   4.887   2.771   2.017 -0.3041 -0.6229 -0.0606
+ 4458TIP3    H114822   4.937   2.842   2.057  0.7888 -1.0908 -0.6082
+ 4458TIP3    H214823   4.858   2.806   1.933 -1.3645 -0.1617  0.4872
+ 4459TIP3   OH214824   2.681   6.175   1.907  0.1508  0.0943  0.7584
+ 4459TIP3    H114825   2.682   6.268   1.888 -0.3199 -0.2076 -0.8260
+ 4459TIP3    H214826   2.754   6.162   1.969  0.2937  1.4720  0.8863
+ 4460TIP3   OH214827   2.392   6.459   2.741  0.1199 -0.0244  0.1852
+ 4460TIP3    H114828   2.347   6.538   2.771 -0.1011 -0.7277  1.7551
+ 4460TIP3    H214829   2.466   6.449   2.800  1.5589  0.3327 -1.5110
+ 4461TIP3   OH214830   0.681   5.873   2.566 -0.2908 -0.2606 -0.3670
+ 4461TIP3    H114831   0.766   5.912   2.588 -0.6021  0.2130  0.0036
+ 4461TIP3    H214832   0.620   5.946   2.567 -1.3010 -1.0342  2.5638
+ 4462TIP3   OH214833   3.293   4.863   3.234  0.1417  0.1713  0.0841
+ 4462TIP3    H114834   3.358   4.909   3.289  0.7182 -1.1780  0.5402
+ 4462TIP3    H214835   3.209   4.893   3.267  0.5060  1.5737 -0.1895
+ 4463TIP3   OH214836   1.616   6.025   4.574 -0.3625 -0.5639  0.2173
+ 4463TIP3    H114837   1.527   5.991   4.582 -0.6410 -0.2802 -1.4724
+ 4463TIP3    H214838   1.643   6.044   4.664 -1.7564 -1.2830  0.7973
+ 4464TIP3   OH214839   3.046   3.826   1.526  0.1947 -0.5582 -0.2138
+ 4464TIP3    H114840   3.077   3.794   1.611  1.4064  5.5658  1.9847
+ 4464TIP3    H214841   3.125   3.847   1.477 -0.4710  0.0362 -1.0672
+ 4465TIP3   OH214842   0.951   6.548   3.190 -0.1308 -0.0395 -0.2295
+ 4465TIP3    H114843   1.000   6.466   3.202  0.7977  0.5760  0.2580
+ 4465TIP3    H214844   0.981   6.604   3.262 -1.7176  0.2781  0.2094
+ 4466TIP3   OH214845   5.499   4.153   0.374  0.2885 -0.2515 -0.0526
+ 4466TIP3    H114846   5.458   4.137   0.460  2.3715  0.5905  1.1244
+ 4466TIP3    H214847   5.505   4.067   0.334 -0.9764 -0.6157  0.5193
+ 4467TIP3   OH214848   3.586   0.204   2.451  0.2686 -0.0215  0.4108
+ 4467TIP3    H114849   3.623   0.279   2.404 -0.3164  0.4131  0.6403
+ 4467TIP3    H214850   3.559   0.240   2.535 -3.5618  0.3576 -0.9080
+ 4468TIP3   OH214851   1.183   5.175   4.458 -0.0411  0.0725  0.1462
+ 4468TIP3    H114852   1.206   5.123   4.381  0.2038  0.3250  0.0516
+ 4468TIP3    H214853   1.165   5.262   4.424 -0.0733  0.1500  0.3594
+ 4469TIP3   OH214854   6.668   6.169   2.523 -0.1693  1.1061 -0.1270
+ 4469TIP3    H114855   6.731   6.205   2.460 -1.0879  3.0526  0.0364
+ 4469TIP3    H214856   6.588   6.218   2.508 -1.7974 -1.5374 -0.5123
+ 4470TIP3   OH214857   4.959   5.609   3.020 -0.3875 -0.1873 -0.8866
+ 4470TIP3    H114858   4.953   5.577   3.110 -0.7141  0.1851 -0.7701
+ 4470TIP3    H214859   4.898   5.555   2.971  1.1207 -1.5851 -1.2407
+ 4471TIP3   OH214860   2.746   1.045   2.613 -0.1176 -0.4376 -0.4277
+ 4471TIP3    H114861   2.811   1.107   2.646 -0.1910 -0.2310 -0.6643
+ 4471TIP3    H214862   2.667   1.098   2.602 -0.7172 -0.9857  1.1579
+ 4472TIP3   OH214863   2.902   5.399   2.911 -0.1221  0.5085 -0.1780
+ 4472TIP3    H114864   2.899   5.455   2.988 -2.1426 -0.8019  0.7446
+ 4472TIP3    H214865   2.873   5.313   2.942 -0.6794 -0.1279 -2.3131
+ 4473TIP3   OH214866   2.806   2.220   6.833 -0.4340 -0.1491 -0.3234
+ 4473TIP3    H114867   2.881   2.223   6.774 -0.8689 -1.3544 -0.9434
+ 4473TIP3    H214868   2.802   2.308   6.871 -0.5360  0.8447 -2.5702
+ 4474TIP3   OH214869   3.987   0.044   4.403  0.8759 -0.3600  0.2985
+ 4474TIP3    H114870   4.056  -0.022   4.411  0.8672 -0.6442 -1.5616
+ 4474TIP3    H214871   3.908   0.000   4.436  1.1178 -0.8531  0.2318
+ 4475TIP3   OH214872   4.860   4.362   2.317  0.0037  0.0278  0.5309
+ 4475TIP3    H114873   4.816   4.444   2.338  0.0272  0.2354 -0.2138
+ 4475TIP3    H214874   4.872   4.365   2.222 -0.7708 -1.2165  0.3786
+ 4476TIP3   OH214875   4.784   4.462   3.033 -0.8387  0.1221 -0.1098
+ 4476TIP3    H114876   4.745   4.536   3.080  0.2341  1.3105 -1.0628
+ 4476TIP3    H214877   4.815   4.499   2.951  2.7465 -0.6694  0.7877
+ 4477TIP3   OH214878   3.336   6.140   2.081 -0.2362  0.2237  0.2491
+ 4477TIP3    H114879   3.273   6.130   2.010 -0.9183 -1.0329  1.0058
+ 4477TIP3    H214880   3.310   6.075   2.146  0.5975  1.0882  1.4923
+ 4478TIP3   OH214881   2.165   5.437   0.636 -0.0115 -0.1325 -0.2500
+ 4478TIP3    H114882   2.235   5.386   0.596 -2.0539 -1.0956 -2.7668
+ 4478TIP3    H214883   2.180   5.527   0.605  0.9590 -0.0535  0.4433
+ 4479TIP3   OH214884   3.880   1.906   1.440 -0.3901  0.3444 -0.5310
+ 4479TIP3    H114885   3.953   1.929   1.383 -0.2216 -0.3203 -0.5813
+ 4479TIP3    H214886   3.803   1.946   1.399  0.3714  3.7993  1.1810
+ 4480TIP3   OH214887   1.798   3.749   2.941  0.0521 -0.2697 -0.0849
+ 4480TIP3    H114888   1.758   3.671   2.980  0.1197  0.4302  1.4252
+ 4480TIP3    H214889   1.842   3.792   3.014  1.2189  0.4377 -1.1855
+ 4481TIP3   OH214890   3.409   4.229   1.939  0.4723 -0.3273  0.7455
+ 4481TIP3    H114891   3.387   4.320   1.918  1.3487 -0.3436 -0.2910
+ 4481TIP3    H214892   3.391   4.181   1.858  1.8229 -0.7593  0.6958
+ 4482TIP3   OH214893   3.382   5.461   2.691  0.1511 -0.1021  0.1461
+ 4482TIP3    H114894   3.367   5.368   2.706  0.2891  0.0698  1.3888
+ 4482TIP3    H214895   3.306   5.504   2.730  1.0292  0.4232  1.2838
+ 4483TIP3   OH214896   2.472   4.306   2.191  0.2642 -0.2014 -0.3467
+ 4483TIP3    H114897   2.495   4.349   2.108 -0.7387  0.3751 -0.3279
+ 4483TIP3    H214898   2.470   4.377   2.255  1.6991 -0.7378  0.3192
+ 4484TIP3   OH214899   4.404   4.181   1.329 -0.7021  0.9611 -0.7986
+ 4484TIP3    H114900   4.483   4.161   1.279  0.0676  0.5050  0.5719
+ 4484TIP3    H214901   4.362   4.252   1.280  0.1546  0.6952 -1.9445
+ 4485TIP3   OH214902   1.526   2.424   4.883 -0.4219  0.5515 -0.2241
+ 4485TIP3    H114903   1.561   2.497   4.934 -1.1007  0.4232  0.4281
+ 4485TIP3    H214904   1.577   2.425   4.802  0.5249  0.8830  0.3697
+ 4486TIP3   OH214905   2.257   5.753   3.115  0.2794  0.3619  0.0257
+ 4486TIP3    H114906   2.210   5.828   3.077 -1.8409 -0.5992  0.6569
+ 4486TIP3    H214907   2.281   5.782   3.203 -0.4875  0.3434  0.2483
+ 4487TIP3   OH214908   1.745   5.208   3.352 -0.2099  0.1820 -0.4719
+ 4487TIP3    H114909   1.821   5.247   3.309  1.1327 -0.6802  1.0842
+ 4487TIP3    H214910   1.729   5.127   3.305  0.0822  0.1711 -0.5528
+ 4488TIP3   OH214911   0.623   4.019   2.259  0.0739 -0.2966 -0.5465
+ 4488TIP3    H114912   0.675   4.087   2.216  2.6688 -2.1579 -0.4981
+ 4488TIP3    H214913   0.622   3.946   2.198  1.8930 -2.1429  1.5146
+ 4489TIP3   OH214914   2.805   5.535   3.145 -0.4372 -0.6370  0.4274
+ 4489TIP3    H114915   2.714   5.551   3.118  0.6135  1.0860 -2.2497
+ 4489TIP3    H214916   2.828   5.612   3.196  0.7763  0.9180 -2.3546
+ 4490TIP3   OH214917   4.669   4.879   3.438  0.3289  0.8045  0.1808
+ 4490TIP3    H114918   4.672   4.970   3.408  0.1458  0.3419 -1.2758
+ 4490TIP3    H214919   4.585   4.846   3.407  0.4697  0.0842  0.5419
+ 4491TIP3   OH214920   1.654   4.439   2.708 -0.1013 -0.2572  0.4690
+ 4491TIP3    H114921   1.669   4.392   2.626 -0.3052  0.3174  0.1027
+ 4491TIP3    H214922   1.718   4.401   2.769  0.3456 -0.3833 -0.0715
+ 4492TIP3   OH214923   0.149   5.144   3.422 -0.2452 -0.5210  0.0962
+ 4492TIP3    H114924   0.128   5.196   3.499 -0.2186 -1.1609  0.5369
+ 4492TIP3    H214925   0.214   5.080   3.452  1.3948  0.6299 -0.9660
+ 4493TIP3   OH214926   1.587   5.066   3.574 -0.2526  0.3154 -0.0306
+ 4493TIP3    H114927   1.610   5.119   3.498 -3.6957 -1.2550 -2.2982
+ 4493TIP3    H214928   1.504   5.103   3.604  1.7910  1.8666  3.9712
+ 4494TIP3   OH214929   2.549   5.435   3.333 -0.2430 -0.0813  0.2948
+ 4494TIP3    H114930   2.617   5.447   3.398  1.4268  0.7926 -1.5733
+ 4494TIP3    H214931   2.543   5.340   3.321  0.0181 -0.1996  1.1279
+ 4495TIP3   OH214932   5.257   6.894   1.831 -0.1020  0.6755 -0.5304
+ 4495TIP3    H114933   5.231   6.829   1.766  0.9357  1.4046 -1.7128
+ 4495TIP3    H214934   5.198   6.968   1.816 -0.7436  0.3297  0.2647
+ 4496TIP3   OH214935   5.404   4.455   6.489 -0.0849  0.1013 -0.1363
+ 4496TIP3    H114936   5.371   4.382   6.540  2.0003 -0.8490 -0.0956
+ 4496TIP3    H214937   5.444   4.415   6.412 -1.2501  1.3737 -1.4221
+ 4497TIP3   OH214938   1.991   6.003   2.536  0.5127  0.5510  0.2030
+ 4497TIP3    H114939   1.918   5.979   2.480  1.5202 -0.4139 -0.7190
+ 4497TIP3    H214940   1.982   5.947   2.613  1.0660 -0.5759 -0.5389
+ 4498TIP3   OH214941   2.439   5.696   2.788  0.0416  0.1750 -0.2739
+ 4498TIP3    H114942   2.467   5.610   2.819 -1.9786 -2.0265 -4.0972
+ 4498TIP3    H214943   2.343   5.694   2.796  0.1119  3.1194  1.9669
+ 4499TIP3   OH214944   1.405   5.259   4.058 -0.2993 -0.5638  0.1629
+ 4499TIP3    H114945   1.463   5.190   4.089 -0.1855 -1.2439 -1.5116
+ 4499TIP3    H214946   1.328   5.253   4.115  0.1260 -1.4248  0.6536
+ 4500TIP3   OH214947   2.197   5.126   4.968 -0.2932  0.2998 -0.1553
+ 4500TIP3    H114948   2.132   5.154   5.032 -1.0039  1.8955 -1.5357
+ 4500TIP3    H214949   2.246   5.206   4.947 -0.0756 -0.2061 -1.6014
+ 4501TIP3   OH214950   2.261   5.532   3.394  0.2125  0.3172  0.1205
+ 4501TIP3    H114951   2.215   5.497   3.317  1.5505 -1.6847  0.1958
+ 4501TIP3    H214952   2.353   5.512   3.378  0.5618  0.3305  2.0017
+ 4502TIP3   OH214953   3.699   5.947   3.819  0.2586 -0.0669  0.3644
+ 4502TIP3    H114954   3.687   6.001   3.897  0.9485 -0.2941  0.6339
+ 4502TIP3    H214955   3.676   5.858   3.847 -2.1044  0.2720 -0.4177
+ 4503TIP3   OH214956   5.145   5.724   2.490  0.2035  0.1417  0.2073
+ 4503TIP3    H114957   5.092   5.715   2.569  0.3097  0.2861  0.2957
+ 4503TIP3    H214958   5.205   5.649   2.493 -0.1841 -0.1759 -0.0361
+ 4504TIP3   OH214959   4.632   5.778   3.900 -0.3340 -0.5026 -0.1616
+ 4504TIP3    H114960   4.563   5.716   3.876 -0.5836 -0.1158 -0.4497
+ 4504TIP3    H214961   4.604   5.861   3.862 -0.4394 -0.0078  1.0030
+ 4505TIP3   OH214962   2.089   4.524   2.891  0.2567  0.1781 -0.3620
+ 4505TIP3    H114963   2.077   4.618   2.908  0.9767  0.2235 -0.0723
+ 4505TIP3    H214964   2.039   4.481   2.961 -1.5534  0.3197 -1.5307
+ 4506TIP3   OH214965   6.875   3.792   1.995  0.3562  0.0556  0.1147
+ 4506TIP3    H114966   6.955   3.767   2.042 -0.5402 -2.0124  0.6243
+ 4506TIP3    H214967   6.819   3.714   2.001 -1.5172  1.3091 -0.6190
+ 4507TIP3   OH214968   4.534   4.377   0.904  0.1760 -0.2652  0.0050
+ 4507TIP3    H114969   4.490   4.459   0.923  0.3848  0.0635 -0.9077
+ 4507TIP3    H214970   4.482   4.337   0.834 -0.0768 -1.0374  0.6207
+ 4508TIP3   OH214971   6.865   5.633   3.351 -0.5780 -0.2860  0.0069
+ 4508TIP3    H114972   6.950   5.610   3.313  0.1571  1.0048  0.8088
+ 4508TIP3    H214973   6.871   5.603   3.442 -0.0989  1.7867  0.6945
+ 4509TIP3   OH214974   1.681   6.479   1.516  0.3066  0.0897  0.1435
+ 4509TIP3    H114975   1.649   6.413   1.577 -3.3643 -0.1883 -1.9606
+ 4509TIP3    H214976   1.640   6.561   1.544 -1.6866 -0.0977 -2.0371
+ 4510TIP3   OH214977   3.876   4.453   3.940 -0.3753  0.0699  0.1372
+ 4510TIP3    H114978   3.920   4.525   3.894  0.3942 -0.4565  0.0274
+ 4510TIP3    H214979   3.813   4.496   3.997 -0.4965  0.7914 -0.5238
+ 4511TIP3   OH214980   4.952   6.684   3.425 -0.0662  0.0589  0.2845
+ 4511TIP3    H114981   5.002   6.761   3.397 -1.5782  0.5531 -1.1484
+ 4511TIP3    H214982   5.005   6.645   3.494  2.2190  0.6635 -1.0689
+ 4512TIP3   OH214983   3.057   5.004   2.540  0.3068 -0.2050  0.1799
+ 4512TIP3    H114984   3.041   5.067   2.610 -0.5532 -0.4323  0.1930
+ 4512TIP3    H214985   3.074   5.057   2.462 -1.9439  0.0601 -0.1575
+ 4513TIP3   OH214986   4.937   4.297   0.480 -0.4288 -0.3697 -0.3737
+ 4513TIP3    H114987   4.877   4.222   0.486 -0.4708 -0.2822  0.3742
+ 4513TIP3    H214988   4.887   4.363   0.432 -0.8995 -0.3402  0.1380
+ 4514TIP3   OH214989   4.081   5.389   6.875 -0.0576  0.1435  0.0523
+ 4514TIP3    H114990   4.165   5.400   6.830  0.3884  0.4305  0.9649
+ 4514TIP3    H214991   4.069   5.469   6.925 -0.9840  0.1958 -0.2432
+ 4515TIP3   OH214992   2.807   6.405   1.677  0.2688 -0.1294  0.7605
+ 4515TIP3    H114993   2.797   6.436   1.587  0.6853  0.8920  1.0658
+ 4515TIP3    H214994   2.859   6.324   1.668 -0.1464 -0.3261  0.0432
+ 4516TIP3   OH214995   4.847   0.452   1.344 -0.1903 -0.1426  0.3847
+ 4516TIP3    H114996   4.781   0.513   1.312 -0.2720 -0.2422  0.3633
+ 4516TIP3    H214997   4.807   0.409   1.419 -0.1057 -0.1171  0.4448
+ 4517TIP3   OH214998   5.681   6.002   3.654  0.2224  0.0739  0.4036
+ 4517TIP3    H114999   5.679   6.093   3.626  0.2173 -0.2171 -0.5582
+ 4517TIP3    H215000   5.685   5.952   3.572  1.0066 -0.7599  0.9475
+ 4518TIP3   OH215001   6.012   5.505   3.300 -0.4447  0.3801 -0.1232
+ 4518TIP3    H115002   6.037   5.413   3.299 -0.7167  0.3028 -1.4446
+ 4518TIP3    H215003   6.082   5.548   3.349  1.1421 -0.1596 -1.8246
+ 4519TIP3   OH215004   3.031   5.051   2.087 -0.4240  0.8594  0.5700
+ 4519TIP3    H115005   3.074   5.120   2.037  0.9985  0.2152  0.8789
+ 4519TIP3    H215006   3.026   5.086   2.176 -0.2434  0.7924  0.6054
+ 4520TIP3   OH215007   2.633   1.154   1.351 -0.2195 -0.1346 -0.4820
+ 4520TIP3    H115008   2.550   1.151   1.398  0.4314  0.7530  0.7350
+ 4520TIP3    H215009   2.696   1.113   1.410 -0.0004 -1.7995 -1.8527
+ 4521TIP3   OH215010   4.085   5.070   2.949 -0.6598  0.1903  0.6152
+ 4521TIP3    H115011   4.017   5.132   2.975  0.3063  1.9555 -0.9120
+ 4521TIP3    H215012   4.142   5.120   2.892  0.5671 -1.9383 -0.0904
+ 4522TIP3   OH215013   3.825   5.181   3.065  0.1125 -0.5310  0.0426
+ 4522TIP3    H115014   3.741   5.193   3.110 -2.8137 -1.7084 -4.7587
+ 4522TIP3    H215015   3.839   5.263   3.018  1.0071 -0.8255 -0.2038
+ 4523TIP3   OH215016   0.520   4.943   3.278 -0.6108 -0.2570  0.1141
+ 4523TIP3    H115017   0.459   4.961   3.349  0.0425 -0.3104  0.6992
+ 4523TIP3    H215018   0.519   4.848   3.268 -0.2090 -0.3027  0.4993
+ 4524TIP3   OH215019   5.711   3.274   1.040 -0.3829  1.8305  0.5054
+ 4524TIP3    H115020   5.656   3.251   1.115  0.6364 -1.4679  0.3197
+ 4524TIP3    H215021   5.787   3.317   1.078  1.0511 -1.5281  1.6572
+ 4525TIP3   OH215022   1.627   4.171   4.509  0.8287  0.4513 -0.4227
+ 4525TIP3    H115023   1.680   4.249   4.526 -0.9817  1.1677  2.0417
+ 4525TIP3    H215024   1.671   4.101   4.557  0.1002  0.8322  0.7945
+ 4526TIP3   OH215025   3.886   4.420   1.975  0.2274  0.2731 -0.2690
+ 4526TIP3    H115026   3.821   4.351   1.964  0.9142 -1.1286  3.8869
+ 4526TIP3    H215027   3.965   4.386   1.934  0.3171 -1.0439  0.9835
+ 4527TIP3   OH215028   2.310   4.871   2.000 -0.1063  0.1268 -0.2122
+ 4527TIP3    H115029   2.382   4.933   1.986  0.5159 -0.7717 -1.0745
+ 4527TIP3    H215030   2.338   4.818   2.074  0.1767 -0.2785 -0.6011
+ 4528TIP3   OH215031   1.324   5.459   3.384  0.1476 -0.2627  0.0291
+ 4528TIP3    H115032   1.327   5.374   3.428 -0.7216  0.1681  0.9410
+ 4528TIP3    H215033   1.406   5.501   3.408  0.8645 -1.0847 -0.9335
+ 4529TIP3   OH215034   2.707   3.957   6.819  0.2714  0.1242 -0.3270
+ 4529TIP3    H115035   2.760   4.026   6.859  0.8926 -0.5226 -0.0216
+ 4529TIP3    H215036   2.618   3.976   6.847  0.3844  0.9944 -0.5212
+ 4530TIP3   OH215037   2.698   5.859   3.368  0.5232 -0.4036 -0.2341
+ 4530TIP3    H115038   2.757   5.811   3.427  1.1882 -0.1454 -0.6858
+ 4530TIP3    H215039   2.715   5.951   3.388 -0.5104 -0.3467  0.3957
+ 4531TIP3   OH215040   3.383   4.452   2.119 -0.2122 -0.4987 -0.0831
+ 4531TIP3    H115041   3.413   4.480   2.032  0.3494 -1.2059 -0.1124
+ 4531TIP3    H215042   3.455   4.475   2.178 -1.5723  2.2940  0.6145
+ 4532TIP3   OH215043   1.743   4.842   2.519  0.5179  0.0224 -0.3994
+ 4532TIP3    H115044   1.813   4.857   2.454  1.0292 -0.5960  0.0041
+ 4532TIP3    H215045   1.715   4.752   2.504  1.5676 -0.5780  1.1137
+ 4533TIP3   OH215046   3.143   5.169   3.024  0.4420  0.2706  1.1062
+ 4533TIP3    H115047   3.119   5.119   3.102  0.9055 -0.4550  0.7811
+ 4533TIP3    H215048   3.208   5.233   3.056  0.8970 -0.2574  1.2504
+ 4534TIP3   OH215049   4.418   0.218   4.934 -0.2967 -0.6578 -0.9051
+ 4534TIP3    H115050   4.490   0.278   4.920 -1.0024  0.5491  0.5010
+ 4534TIP3    H215051   4.460   0.134   4.956  0.6905  0.2008  0.6042
+ 4535TIP3   OH215052   3.464   5.291   4.993  0.0505  0.2157 -0.0439
+ 4535TIP3    H115053   3.545   5.244   5.016 -0.3647 -0.6797 -0.3833
+ 4535TIP3    H215054   3.417   5.298   5.076  0.2778  0.3549  0.0753
+ 4536TIP3   OH215055   3.451   5.116   3.071 -0.2761  0.4713  0.2292
+ 4536TIP3    H115056   3.396   5.183   3.031  1.8197  0.7306 -2.3614
+ 4536TIP3    H215057   3.518   5.166   3.118 -1.3592  0.1462  2.1991
+ 4537TIP3   OH215058   6.663   4.939   1.836  0.3990  0.2687 -0.2698
+ 4537TIP3    H115059   6.659   4.861   1.892 -1.2615 -0.2072 -1.0220
+ 4537TIP3    H215060   6.652   5.012   1.897 -1.1470 -0.2292  0.0986
+ 4538TIP3   OH215061   3.979   5.746   3.042 -0.0091 -0.3544  0.3852
+ 4538TIP3    H115062   3.958   5.817   2.982 -2.0913 -0.1891  1.2611
+ 4538TIP3    H215063   4.011   5.675   2.985  0.0753  0.5377 -0.6903
+ 4539TIP3   OH215064   3.315   3.488   0.862 -0.1309 -0.3041  0.0540
+ 4539TIP3    H115065   3.299   3.460   0.952  1.0252 -0.5978  0.1754
+ 4539TIP3    H215066   3.228   3.494   0.823 -0.6159 -0.5025  1.0938
+ 4540TIP3   OH215067   2.266   3.310   0.231 -0.3380 -0.1395 -0.1753
+ 4540TIP3    H115068   2.341   3.340   0.180  0.1368  2.3616  1.9141
+ 4540TIP3    H215069   2.300   3.237   0.283  0.9397  1.5143  1.3893
+ 4541TIP3   OH215070   6.441   5.215   3.885 -0.3329 -0.0527  0.7302
+ 4541TIP3    H115071   6.426   5.168   3.803  1.1754  0.1332  0.3456
+ 4541TIP3    H215072   6.504   5.162   3.932  0.0678  0.6992  1.0474
+ 4542TIP3   OH215073   2.674   3.331   1.690  0.3527  0.3313  0.8061
+ 4542TIP3    H115074   2.613   3.258   1.701 -0.3427  0.7695 -0.0856
+ 4542TIP3    H215075   2.668   3.355   1.597  3.2568 -0.8097  0.2495
+ 4543TIP3   OH215076   1.287   4.388   3.316 -0.0859 -0.1298  0.5070
+ 4543TIP3    H115077   1.372   4.383   3.272  0.6764 -1.1625  2.0817
+ 4543TIP3    H215078   1.307   4.390   3.409 -1.7663  0.2751  0.8830
+ 4544TIP3   OH215079   1.806   4.263   2.510  0.2666  0.2498  0.3571
+ 4544TIP3    H115080   1.832   4.237   2.422  0.0103 -0.8793  0.6053
+ 4544TIP3    H215081   1.862   4.210   2.568 -1.8599 -1.4884  0.8817
+ 4545TIP3   OH215082   3.299   3.120   1.673  0.1256 -0.5070  0.4332
+ 4545TIP3    H115083   3.246   3.199   1.683  0.5146 -0.3094  0.9412
+ 4545TIP3    H215084   3.238   3.048   1.692 -0.4213 -0.3784 -0.7647
+ 4546TIP3   OH215085   3.171   5.626   3.510 -0.3900 -0.5993 -0.2269
+ 4546TIP3    H115086   3.219   5.652   3.431 -0.8078  2.4244  0.4281
+ 4546TIP3    H215087   3.233   5.643   3.582 -1.6897  1.5083  0.4575
+ 4547TIP3   OH215088   2.804   5.809   1.896  0.4180  0.0766 -0.6275
+ 4547TIP3    H115089   2.767   5.848   1.974  3.5547 -0.2405  1.1140
+ 4547TIP3    H215090   2.753   5.729   1.883 -0.7147  0.5861  0.5492
+ 4548TIP3   OH215091   2.221   4.506   4.539 -0.1515  0.1351 -0.2197
+ 4548TIP3    H115092   2.227   4.601   4.544 -0.3454  0.2448 -1.7493
+ 4548TIP3    H215093   2.250   4.475   4.625 -0.5563  1.5877  0.4570
+ 4549TIP3   OH215094   4.938   5.898   1.609 -0.3564 -0.0350  0.2460
+ 4549TIP3    H115095   5.019   5.849   1.594  0.2232  0.8504  0.4649
+ 4549TIP3    H215096   4.903   5.914   1.522  0.0772  0.2031  0.1128
+ 4550TIP3   OH215097   1.594   0.041   4.981  0.2402  0.1931 -0.0799
+ 4550TIP3    H115098   1.525   0.073   5.038 -1.5810 -0.6803 -1.7147
+ 4550TIP3    H215099   1.576   0.082   4.896  0.6301 -1.4757 -0.9955
+ 4551TIP3   OH215100   3.199   5.054   4.425  0.1952  0.2440 -0.0169
+ 4551TIP3    H115101   3.244   5.106   4.359 -0.8789 -1.9338 -2.5552
+ 4551TIP3    H215102   3.122   5.105   4.448  0.1341  0.6300 -1.0850
+ 4552TIP3   OH215103   1.098   4.612   3.324 -0.3688  0.4700 -0.1475
+ 4552TIP3    H115104   1.171   4.550   3.324 -0.2470  0.5971  2.0722
+ 4552TIP3    H215105   1.137   4.695   3.352 -1.5248  0.3303  1.9276
+ 4553TIP3   OH215106   3.985   5.033   4.013 -0.0860  0.4791  0.2578
+ 4553TIP3    H115107   4.063   5.011   4.065  0.7058 -0.2275 -1.1875
+ 4553TIP3    H215108   3.936   5.095   4.067 -0.2420 -1.6539  2.6665
+ 4554TIP3   OH215109   2.586   4.977   2.632  0.5734  0.3786  0.2764
+ 4554TIP3    H115110   2.641   4.899   2.640  1.7700  1.1187 -0.4579
+ 4554TIP3    H215111   2.637   5.036   2.576 -1.1266  0.9682 -0.6833
+ 4555TIP3   OH215112   1.431   6.245   4.706 -0.3526  0.2508  0.5026
+ 4555TIP3    H115113   1.385   6.212   4.784 -0.1933  0.3496  0.6388
+ 4555TIP3    H215114   1.382   6.210   4.632 -0.5589  0.2314  0.6497
+ 4556TIP3   OH215115   1.466   6.067   4.138 -0.5914  0.1566 -0.2716
+ 4556TIP3    H115116   1.397   6.082   4.073 -1.1284 -0.1132  0.2359
+ 4556TIP3    H215117   1.482   5.973   4.135  0.5517  0.3705 -1.1896
+ 4557TIP3   OH215118   2.905   4.705   1.869  0.2143 -0.3596  0.2127
+ 4557TIP3    H115119   2.916   4.686   1.962 -0.0452 -1.1808  0.0781
+ 4557TIP3    H215120   2.920   4.800   1.862  0.9815 -0.4192  0.9683
+ 4558TIP3   OH215121   6.449   6.073   3.453  0.1080  0.0383 -0.0660
+ 4558TIP3    H115122   6.507   5.998   3.466  0.8525  0.6949  0.5008
+ 4558TIP3    H215123   6.363   6.035   3.435  0.7999 -0.9675 -1.3449
+ 4559TIP3   OH215124   2.374   4.901   0.678  0.1632  0.2879 -1.0927
+ 4559TIP3    H115125   2.408   4.817   0.708  0.0766 -0.2618 -2.4888
+ 4559TIP3    H215126   2.288   4.909   0.720  0.9750  0.5602  0.5320
+ 4560TIP3   OH215127   1.278   3.431   1.794 -0.2403 -0.2580  0.3178
+ 4560TIP3    H115128   1.301   3.503   1.736 -2.7780  1.6179  1.5260
+ 4560TIP3    H215129   1.266   3.356   1.736  0.2983  0.8212 -1.2145
+ 4561TIP3   OH215130   3.624   6.208   2.745 -0.3107 -0.2358  0.5507
+ 4561TIP3    H115131   3.686   6.136   2.755 -1.2480 -1.7658 -3.4281
+ 4561TIP3    H215132   3.573   6.208   2.826  1.3157 -2.4667  1.6185
+ 4562TIP3   OH215133   3.716   3.481   1.447  0.2072 -0.4590 -0.2235
+ 4562TIP3    H115134   3.792   3.482   1.390  0.3892 -0.1746  0.0236
+ 4562TIP3    H215135   3.723   3.397   1.494  1.1922  0.2210  0.8912
+ 4563TIP3   OH215136   4.617   5.265   3.795 -0.3319 -0.5286  0.0268
+ 4563TIP3    H115137   4.701   5.225   3.814 -0.7030 -0.2882  2.3233
+ 4563TIP3    H215138   4.582   5.214   3.722  1.9720 -0.3508 -1.2560
+ 4564TIP3   OH215139   4.735   5.877   3.452  0.0801 -0.2383  0.9315
+ 4564TIP3    H115140   4.794   5.853   3.380  1.3441 -0.0950  1.9007
+ 4564TIP3    H215141   4.741   5.973   3.456 -0.8809 -0.1566  0.4825
+ 4565TIP3   OH215142   6.082   2.907   1.643  0.0668 -0.2444 -0.1067
+ 4565TIP3    H115143   6.110   2.870   1.559  2.8619  2.7418 -0.6045
+ 4565TIP3    H215144   6.060   2.998   1.623 -0.8462  0.0651  2.1260
+ 4566TIP3   OH215145   5.330   5.124   3.855 -0.2269 -0.0183 -0.7846
+ 4566TIP3    H115146   5.237   5.141   3.841 -0.1947  1.2530  0.5162
+ 4566TIP3    H215147   5.359   5.083   3.773 -1.9991 -0.7719 -1.0640
+ 4567TIP3   OH215148   3.111   5.523   1.874 -0.6408  0.4005 -0.1239
+ 4567TIP3    H115149   3.176   5.543   1.807 -0.1994  0.5758  0.3535
+ 4567TIP3    H215150   3.094   5.607   1.917  0.2557  0.0122  1.0257
+ 4568TIP3   OH215151   3.623   6.536   4.370 -0.1451 -0.0793  0.3611
+ 4568TIP3    H115152   3.624   6.452   4.323  0.8584  0.6402 -0.9489
+ 4568TIP3    H215153   3.531   6.561   4.373 -0.1683  0.2746 -2.0662
+ 4569TIP3   OH215154   4.799   4.531   1.623  0.3349  0.2173 -0.5169
+ 4569TIP3    H115155   4.714   4.532   1.667  1.1827  2.8443  1.2197
+ 4569TIP3    H215156   4.849   4.463   1.669  0.6024  1.7029  1.4608
+ 4570TIP3   OH215157   3.345   5.423   2.163  0.0129  0.6298 -0.3779
+ 4570TIP3    H115158   3.357   5.509   2.121 -2.2355  1.0826 -0.1667
+ 4570TIP3    H215159   3.336   5.444   2.256 -1.3295  0.2533 -0.4171
+ 4571TIP3   OH215160   0.587   3.088   4.426 -0.0630 -0.4091  0.1012
+ 4571TIP3    H115161   0.570   3.182   4.428  0.7769 -0.1842 -2.0455
+ 4571TIP3    H215162   0.528   3.054   4.359  1.5934 -0.9519 -1.1362
+ 4572TIP3   OH215163   4.620   4.940   1.755 -0.2450  0.1855 -0.6145
+ 4572TIP3    H115164   4.669   4.986   1.823 -1.4102  1.9432 -0.9519
+ 4572TIP3    H215165   4.655   4.974   1.673 -1.5476  0.9288 -0.8609
+ 4573TIP3   OH215166   0.224   5.108   3.804  0.2409 -0.5457  0.1125
+ 4573TIP3    H115167   0.292   5.048   3.835 -1.4538 -2.5514  0.0149
+ 4573TIP3    H215168   0.184   5.142   3.884  0.4878 -0.3422  0.1530
+ 4574TIP3   OH215169   3.387   4.846   1.497  0.2057 -0.2007  0.7465
+ 4574TIP3    H115170   3.363   4.928   1.540  1.0386  0.2374  0.3924
+ 4574TIP3    H215171   3.399   4.783   1.568  1.6373  0.5324  1.1858
+ 4575TIP3   OH215172   0.109   6.393   5.876 -0.0708 -0.2396  0.2608
+ 4575TIP3    H115173   0.071   6.428   5.795 -0.0240  0.9236  0.7384
+ 4575TIP3    H215174   0.033   6.379   5.933  0.1088  1.2727  0.9017
+ 4576TIP3   OH215175   4.795   4.787   3.174  0.7321 -0.8113  0.6215
+ 4576TIP3    H115176   4.871   4.845   3.170  0.1483  0.0489  1.8529
+ 4576TIP3    H215177   4.783   4.769   3.267 -1.1978 -0.1186  0.5301
+ 4577TIP3   OH215178   4.428   6.072   3.395 -0.1013  0.4580  0.3693
+ 4577TIP3    H115179   4.413   6.125   3.316 -0.6746  2.1766  1.5911
+ 4577TIP3    H215180   4.357   6.008   3.395 -0.2832  0.6496 -0.3517
+ 4578TIP3   OH215181   0.679   3.463   0.757  0.7144  0.3426  0.0814
+ 4578TIP3    H115182   0.673   3.393   0.822  0.7290  0.2472 -0.0190
+ 4578TIP3    H215183   0.626   3.534   0.792 -0.5199 -0.2665 -0.5191
+ 4579TIP3   OH215184   5.980   5.562   2.301  0.1435 -0.2587 -0.0200
+ 4579TIP3    H115185   5.961   5.478   2.343 -0.9180  0.4587  0.9578
+ 4579TIP3    H215186   6.066   5.587   2.335  0.8710 -1.3772 -1.0129
+ 4580TIP3   OH215187   4.044   5.143   3.240  0.1206 -0.3218 -0.0789
+ 4580TIP3    H115188   4.042   5.212   3.307  1.6787 -1.3395  1.0546
+ 4580TIP3    H215189   3.961   5.154   3.192 -0.1338  1.6540  0.7531
+ 4581TIP3   OH215190   6.272   2.254   3.079 -0.1150 -0.0558 -0.1928
+ 4581TIP3    H115191   6.365   2.277   3.073  0.1143 -1.1314 -0.9580
+ 4581TIP3    H215192   6.249   2.266   3.171  0.7633  0.2547 -0.0122
+ 4582TIP3   OH215193   5.918   4.945   2.768  0.6924 -1.0133 -0.2916
+ 4582TIP3    H115194   5.841   4.909   2.811 -0.2524  0.7933 -0.4198
+ 4582TIP3    H215195   5.970   4.983   2.839  0.2900 -0.1356 -0.4545
+ 4583TIP3   OH215196   5.419   4.396   3.306 -0.5010  0.0944  0.3500
+ 4583TIP3    H115197   5.422   4.403   3.210  1.6931  0.5242  0.4223
+ 4583TIP3    H215198   5.392   4.483   3.335  1.0674  0.6351  0.2046
+ 4584TIP3   OH215199   4.705   3.378   1.974 -0.2395 -0.0389  0.2002
+ 4584TIP3    H115200   4.743   3.356   2.058 -0.9959 -0.1962  0.5101
+ 4584TIP3    H215201   4.763   3.338   1.909 -0.3722 -1.0368  0.6883
+ 4585TIP3   OH215202   4.908   0.819   1.194  0.1703 -0.3882 -0.0579
+ 4585TIP3    H115203   4.927   0.758   1.123  1.9137 -0.9026  0.8083
+ 4585TIP3    H215204   4.963   0.895   1.176  1.2327 -0.8566  1.1604
+ 4586TIP3   OH215205   6.184   4.764   3.014  0.1784  0.5752  0.4283
+ 4586TIP3    H115206   6.194   4.857   3.033  0.6094  0.5051  0.5334
+ 4586TIP3    H215207   6.109   4.737   3.067 -1.3503  1.3566 -1.2689
+ 4587TIP3   OH215208   5.435   4.386   4.089 -0.2442  0.4114 -0.0111
+ 4587TIP3    H115209   5.345   4.366   4.064  0.2870  0.1497 -1.8000
+ 4587TIP3    H215210   5.487   4.315   4.053  0.5270 -0.3127  2.4295
+ 4588TIP3   OH215211   4.979   5.523   2.655 -0.4904  0.2800 -0.6595
+ 4588TIP3    H115212   5.016   5.475   2.729 -2.3084 -2.3740 -1.3728
+ 4588TIP3    H215213   4.900   5.564   2.690  0.0523  1.2088 -0.5098
+ 4589TIP3   OH215214   0.517   5.932   1.972 -0.2937 -0.5269 -1.1047
+ 4589TIP3    H115215   0.575   5.861   2.000 -1.6168 -0.9937  0.4922
+ 4589TIP3    H215216   0.433   5.889   1.955 -0.9298  0.5648 -0.7456
+ 4590TIP3   OH215217   4.851   0.031   3.646 -0.5266 -0.1627  0.1790
+ 4590TIP3    H115218   4.898  -0.053   3.644 -2.0393 -1.0211 -2.1182
+ 4590TIP3    H215219   4.920   0.097   3.641  0.5843 -1.3182 -0.0517
+ 4591TIP3   OH215220   5.532   1.365   2.470  0.5647 -0.1065  0.1208
+ 4591TIP3    H115221   5.628   1.356   2.468  0.6173  0.5673 -0.5497
+ 4591TIP3    H215222   5.512   1.381   2.562  0.9853 -1.4193  0.4518
+ 4592TIP3   OH215223   4.200   4.109   1.657  0.0806 -0.5319 -0.5889
+ 4592TIP3    H115224   4.152   4.115   1.574  1.2480 -0.8972 -1.3062
+ 4592TIP3    H215225   4.286   4.147   1.638  0.1062  0.0685  0.6619
+ 4593TIP3   OH215226   5.050   4.800   1.684 -0.1963  0.7834 -0.2179
+ 4593TIP3    H115227   5.092   4.716   1.663 -1.4409  0.4257 -1.3422
+ 4593TIP3    H215228   4.980   4.809   1.619 -3.4454  0.2277  3.0900
+ 4594TIP3   OH215229   4.464   5.727   2.216  0.0756 -0.0989 -0.5053
+ 4594TIP3    H115230   4.405   5.653   2.203  2.6869 -2.5488  0.9417
+ 4594TIP3    H215231   4.551   5.689   2.208  1.4842  2.9691 -0.2619
+ 4595TIP3   OH215232   6.400   5.016   4.523  0.6181 -0.7287  0.0689
+ 4595TIP3    H115233   6.455   5.091   4.500 -1.6325  1.5188  1.7412
+ 4595TIP3    H215234   6.404   5.012   4.619 -0.3510 -1.9034  0.0725
+ 4596TIP3   OH215235   4.227   5.780   3.960  0.4758  0.3844 -0.7408
+ 4596TIP3    H115236   4.281   5.787   4.039  1.1348  0.0335 -1.1678
+ 4596TIP3    H215237   4.161   5.849   3.971  1.8091  1.6950 -0.8497
+ 4597TIP3   OH215238   5.410   5.476   2.856  0.4479 -0.2605  0.2903
+ 4597TIP3    H115239   5.446   5.393   2.827 -1.1792 -0.6924 -0.5251
+ 4597TIP3    H215240   5.424   5.535   2.782  1.0989  0.0644  0.6613
+ 4598TIP3   OH215241   5.882   6.275   4.043  0.2716 -0.5078  0.1496
+ 4598TIP3    H115242   5.880   6.190   4.000  1.1211 -0.8916  0.8347
+ 4598TIP3    H215243   5.799   6.316   4.021  0.1829 -1.1968 -0.8296
+ 4599TIP3   OH215244   5.824   6.057   3.875 -0.4466 -0.4220 -0.6774
+ 4599TIP3    H115245   5.759   6.046   3.805 -1.0483 -0.2028 -0.1616
+ 4599TIP3    H215246   5.900   6.008   3.845 -1.0894 -1.2372 -0.9921
+ 4600TIP3   OH215247   3.814   5.859   1.623  0.6265 -0.0020 -0.3793
+ 4600TIP3    H115248   3.749   5.893   1.561  0.0258 -0.4938 -0.0240
+ 4600TIP3    H215249   3.763   5.806   1.684  1.2936  0.0361  0.2140
+ 4601TIP3   OH215250   3.357   5.755   3.727 -0.2654  0.0747  0.2520
+ 4601TIP3    H115251   3.325   5.819   3.791  1.1310 -0.7769  1.8422
+ 4601TIP3    H215252   3.353   5.671   3.772 -0.1292 -0.6780 -1.1010
+ 4602TIP3   OH215253   6.107   6.571   3.165 -0.4733  0.2894 -0.0363
+ 4602TIP3    H115254   6.131   6.517   3.090  0.1281 -0.5189  0.7292
+ 4602TIP3    H215255   6.077   6.509   3.232 -0.5714  0.9617  0.5546
+ 4603TIP3   OH215256   4.804   5.385   2.130  0.0912  0.1181  0.2740
+ 4603TIP3    H115257   4.850   5.368   2.212  1.0238 -0.1772 -0.2999
+ 4603TIP3    H215258   4.864   5.354   2.062 -0.2428  1.2645 -0.5629
+ 4604TIP3   OH215259   3.417   5.288   1.243  0.5153  0.2289  0.4477
+ 4604TIP3    H115260   3.326   5.263   1.258  0.3350  1.2415  1.1046
+ 4604TIP3    H215261   3.468   5.212   1.271 -0.1036 -0.1519  0.5585
+ 4605TIP3   OH215262   5.111   5.225   4.971  0.2042  0.2114 -0.3797
+ 4605TIP3    H115263   5.106   5.282   4.895  0.8126  0.6748 -0.0844
+ 4605TIP3    H215264   5.028   5.237   5.017 -0.5646 -0.7983 -1.4654
+ 4606TIP3   OH215265   4.638   5.137   3.373 -0.1969 -0.0801  0.0783
+ 4606TIP3    H115266   4.638   5.140   3.278  2.3940 -0.6629  0.0311
+ 4606TIP3    H215267   4.706   5.198   3.400 -0.6349 -0.1994  1.5492
+ 4607TIP3   OH215268   4.723   4.576   2.428 -0.4513 -0.0848 -0.2246
+ 4607TIP3    H115269   4.655   4.518   2.461  1.6825 -1.9922  0.9831
+ 4607TIP3    H215270   4.678   4.658   2.408 -3.0171 -1.2008  0.8071
+ 4608TIP3   OH215271   5.948   3.915   2.013 -0.2142  0.2705  0.3519
+ 4608TIP3    H115272   5.865   3.945   1.978  1.7385  4.8654 -0.7368
+ 4608TIP3    H215273   5.943   3.935   2.107 -0.1295  0.9936  0.1994
+ 4609TIP3   OH215274   3.400   4.341   0.928  0.4575  0.0903 -0.2758
+ 4609TIP3    H115275   3.346   4.372   1.000  1.1851  0.0524  0.2864
+ 4609TIP3    H215276   3.347   4.273   0.886 -0.3258  0.7196 -0.3165
+ 4610TIP3   OH215277   0.599   4.196   0.660  0.3247  0.0360 -0.1818
+ 4610TIP3    H115278   0.628   4.272   0.711  1.9358 -0.5999 -0.1194
+ 4610TIP3    H215279   0.576   4.130   0.725  3.2657 -1.1034 -0.2241
+ 4611TIP3   OH215280   4.770   6.764   1.923  0.0556 -0.3932 -0.0780
+ 4611TIP3    H115281   4.764   6.819   1.844  0.1234  1.4158  1.1602
+ 4611TIP3    H215282   4.860   6.775   1.953 -0.4402  0.2654  1.1917
+ 4612TIP3   OH215283   5.224   5.820   1.506  0.1734  0.6348 -0.0986
+ 4612TIP3    H115284   5.172   5.810   1.427  1.6252  0.0003 -0.9930
+ 4612TIP3    H215285   5.255   5.731   1.526  0.1541  0.8539  0.9414
+ 4613TIP3   OH215286   5.422   0.070   3.054 -0.2458  0.2732 -0.2745
+ 4613TIP3    H115287   5.357   0.123   3.008 -2.1234  0.5054  2.4831
+ 4613TIP3    H215288   5.401  -0.020   3.029 -0.2955  0.5041 -1.0565
+ 4614TIP3   OH215289   5.933   3.941   2.356  0.3268  0.7446 -0.3710
+ 4614TIP3    H115290   5.967   3.872   2.412  0.5665  0.3111 -1.0441
+ 4614TIP3    H215291   5.840   3.920   2.346  0.5695  0.0630 -1.2309
+ 4615TIP3   OH215292   2.675   6.507   4.994 -0.2683  0.1389 -1.1434
+ 4615TIP3    H115293   2.608   6.575   4.991 -1.5179 -0.9258  1.1761
+ 4615TIP3    H215294   2.757   6.555   5.003 -1.0535  1.3773 -0.4753
+ 4616TIP3   OH215295   4.474   5.915   2.668 -0.3751 -0.1068 -0.1929
+ 4616TIP3    H115296   4.384   5.887   2.651 -0.8736  1.3831 -0.1169
+ 4616TIP3    H215297   4.529   5.843   2.637 -1.5500 -0.5354 -1.2880
+ 4617TIP3   OH215298   3.753   6.471   3.882 -0.2484 -0.3152 -0.0947
+ 4617TIP3    H115299   3.810   6.541   3.851 -2.1077  0.7782 -1.1605
+ 4617TIP3    H215300   3.751   6.409   3.809 -2.0044  0.6442 -0.8883
+ 4618TIP3   OH215301   6.192   3.487   5.344 -0.5711 -0.2538  0.4648
+ 4618TIP3    H115302   6.252   3.559   5.322 -0.1029 -0.7201  0.1785
+ 4618TIP3    H215303   6.147   3.516   5.423  0.0999  0.0674  0.7322
+ 4619TIP3   OH215304   6.057   5.102   2.996 -0.1592  0.3845  0.5744
+ 4619TIP3    H115305   6.018   5.070   3.078 -1.6936  2.2643  0.6374
+ 4619TIP3    H215306   5.992   5.163   2.962  0.9709  0.4669 -1.4920
+ 4620TIP3   OH215307   0.558   6.434   3.906  0.6640 -0.1772 -0.1085
+ 4620TIP3    H115308   0.562   6.528   3.921 -0.5712 -0.0103 -0.7214
+ 4620TIP3    H215309   0.644   6.411   3.872  1.1581  0.6298  0.5770
+ 4621TIP3   OH215310   3.732   5.572   2.354 -0.7659  0.6688  0.4971
+ 4621TIP3    H115311   3.686   5.653   2.331 -0.6972  0.3705 -0.7243
+ 4621TIP3    H215312   3.816   5.601   2.388 -0.6156  1.1148 -0.2310
+ 4622TIP3   OH215313   4.775   3.357   1.138 -0.1637 -0.0142 -0.1318
+ 4622TIP3    H115314   4.750   3.444   1.107 -1.1216 -0.1114  0.3440
+ 4622TIP3    H215315   4.865   3.345   1.107 -0.2678  0.8647 -0.7828
+ 4623TIP3   OH215316   5.423   5.054   3.624 -0.1652 -0.1673 -0.2589
+ 4623TIP3    H115317   5.411   4.972   3.576 -1.0342 -0.3855  0.3083
+ 4623TIP3    H215318   5.397   5.122   3.562  1.4010 -0.2529 -1.0235
+ 4624TIP3   OH215319   4.154   4.430   0.856  0.3869 -0.5081  0.1978
+ 4624TIP3    H115320   4.099   4.504   0.883  1.4007 -0.1929  1.4237
+ 4624TIP3    H215321   4.232   4.471   0.818  0.1274 -0.9563 -0.8359
+ 4625TIP3   OH215322   4.734   5.890   4.293  0.4480  0.1762  0.1436
+ 4625TIP3    H115323   4.647   5.856   4.313 -0.3529  2.3432  0.3710
+ 4625TIP3    H215324   4.763   5.838   4.218 -1.8884  0.8265 -1.2458
+ 4626TIP3   OH215325   4.188   5.584   1.944  0.1415  0.0291  0.3327
+ 4626TIP3    H115326   4.153   5.511   1.994  0.9508 -0.4952  0.1349
+ 4626TIP3    H215327   4.157   5.662   1.991 -1.0620 -0.4198  0.3163
+ 4627TIP3   OH215328   6.345   1.142   3.936  0.5355  0.4335  0.2393
+ 4627TIP3    H115329   6.349   1.177   3.847  1.3462  0.3688  0.2423
+ 4627TIP3    H215330   6.262   1.172   3.971 -0.0581 -0.0333 -0.7532
+ 4628TIP3   OH215331   4.489   5.028   2.834 -0.2315 -0.1438  0.5423
+ 4628TIP3    H115332   4.449   4.941   2.842  0.7912 -0.5395  1.3991
+ 4628TIP3    H215333   4.442   5.082   2.898 -0.3899 -0.2352  0.5031
+ 4629TIP3   OH215334   4.284   6.170   3.164  0.1691  0.2352 -0.1118
+ 4629TIP3    H115335   4.346   6.127   3.105  0.6798  0.1862  0.4593
+ 4629TIP3    H215336   4.281   6.261   3.133  0.1600  0.1257 -0.4356
+ 4630TIP3   OH215337   3.238   0.415   3.619  0.2599 -0.6528 -0.3317
+ 4630TIP3    H115338   3.208   0.378   3.536 -1.1456 -1.5316  0.5568
+ 4630TIP3    H215339   3.175   0.485   3.639  1.4409  0.5452 -0.7256
+ 4631TIP3   OH215340   4.774   5.450   2.866 -0.4578  0.0363 -0.9033
+ 4631TIP3    H115341   4.765   5.355   2.865  0.7525 -0.0644 -2.2232
+ 4631TIP3    H215342   4.700   5.482   2.814 -0.4757 -0.2139 -1.0282
+ 4632TIP3   OH215343   5.895   3.836   1.284  1.0535  0.0051 -0.4497
+ 4632TIP3    H115344   5.850   3.835   1.368  0.7940 -0.7940 -0.5918
+ 4632TIP3    H215345   5.878   3.749   1.247  2.5464 -0.2336 -0.5970
+ 4633TIP3   OH215346   4.876   5.073   2.555  0.1799 -0.3479  0.3363
+ 4633TIP3    H115347   4.934   5.093   2.627  0.6741  0.5402 -0.2995
+ 4633TIP3    H215348   4.861   4.978   2.562  0.3609 -0.2995  1.4791
+ 4634TIP3   OH215349   6.744   4.518   1.353 -0.5259 -0.7468 -0.1836
+ 4634TIP3    H115350   6.725   4.425   1.353  0.6261 -0.9869 -0.6979
+ 4634TIP3    H215351   6.733   4.545   1.445 -1.7228 -1.1943 -0.1870
+ 4635TIP3   OH215352   2.435   5.983   3.075  0.1097  0.2081  0.4127
+ 4635TIP3    H115353   2.405   5.944   3.157  0.6401  0.1283  0.5695
+ 4635TIP3    H215354   2.355   5.997   3.024 -0.0451 -1.7367  0.0767
+ 4636TIP3   OH215355   5.983   1.119   3.254  0.6189 -0.0095  0.8287
+ 4636TIP3    H115356   5.944   1.033   3.272  0.9150 -0.5271 -0.8222
+ 4636TIP3    H215357   6.077   1.106   3.266  0.7643 -0.2138 -0.4646
+ 4637TIP3   OH215358   4.921   4.287   2.810  0.1731  0.2854 -1.0450
+ 4637TIP3    H115359   4.954   4.376   2.802  0.0799  0.4761  0.6817
+ 4637TIP3    H215360   4.999   4.232   2.805  0.1917  0.4064 -2.5628
+ 4638TIP3   OH215361   5.028   5.734   1.342 -0.2096 -0.1714 -0.7688
+ 4638TIP3    H115362   4.936   5.754   1.360  0.0604 -1.5420  2.5419
+ 4638TIP3    H215363   5.026   5.649   1.298 -0.5301 -0.2351 -0.6331
+ 4639TIP3   OH215364   4.617   4.830   2.480 -0.4471 -0.6219  0.2323
+ 4639TIP3    H115365   4.632   4.917   2.518  0.2353 -1.1552  1.2139
+ 4639TIP3    H215366   4.579   4.779   2.552 -1.4638 -0.9457 -0.5319
+ 4640TIP3   OH215367   4.815   6.119   3.322  0.2297  0.0699  0.1359
+ 4640TIP3    H115368   4.871   6.092   3.249  0.4090  2.0384 -0.4666
+ 4640TIP3    H215369   4.732   6.141   3.282  0.8471  2.8182  0.2695
+ 4641TIP3   OH215370   5.534   6.495   2.220  0.1893  0.3080  0.1906
+ 4641TIP3    H115371   5.472   6.548   2.170  1.3922  0.7600 -0.8543
+ 4641TIP3    H215372   5.543   6.541   2.304  0.0171  0.8906 -0.1101
+ 4642TIP3   OH215373   4.372   5.201   1.933  0.0692  0.0582  0.3244
+ 4642TIP3    H115374   4.414   5.280   1.898  0.2746 -0.1566  0.0859
+ 4642TIP3    H215375   4.279   5.212   1.912 -0.0575  0.6996  1.1610
+ 4643TIP3   OH215376   4.068   5.504   3.218 -0.3948 -0.2955  0.8563
+ 4643TIP3    H115377   4.101   5.482   3.305  3.1997 -0.5675 -0.4471
+ 4643TIP3    H215378   4.044   5.596   3.223 -1.6244 -0.6966  2.4988
+ 4644TIP3   OH215379   4.639   2.043   0.707  0.2058 -0.0727  0.3122
+ 4644TIP3    H115380   4.720   2.068   0.664 -0.5664  0.6809 -0.7327
+ 4644TIP3    H215381   4.666   1.983   0.776  1.6039 -0.1441 -0.2817
+ 4645TIP3   OH215382   3.354   5.692   2.100  0.2929  0.3620 -0.4988
+ 4645TIP3    H115383   3.406   5.715   2.023 -0.0458  0.9670 -0.5483
+ 4645TIP3    H215384   3.268   5.730   2.084  0.0685  0.0615 -0.0461
+ 4646TIP3   OH215385   3.398   0.061   3.643 -0.2787 -0.1579 -0.1481
+ 4646TIP3    H115386   3.305   0.062   3.623 -0.3087 -1.7112 -0.1213
+ 4646TIP3    H215387   3.425   0.153   3.636 -1.8238  0.3185 -0.0380
+ 4647TIP3   OH215388   5.403   4.790   3.527 -0.0747  0.1183  0.4951
+ 4647TIP3    H115389   5.492   4.757   3.537  0.1275  0.3185 -0.5748
+ 4647TIP3    H215390   5.365   4.785   3.615  1.1040  0.3546  1.0240
+ 4648TIP3   OH215391   5.653   4.914   3.036  0.6192  0.2968 -0.2776
+ 4648TIP3    H115392   5.581   4.869   3.079  1.2047  1.1925  1.6920
+ 4648TIP3    H215393   5.664   4.867   2.953 -0.3392 -1.6503  0.6613
+ 4649TIP3   OH215394   1.117   4.522   0.246  1.0013 -0.8276  0.1482
+ 4649TIP3    H115395   1.033   4.566   0.254  1.7502  0.3776  1.9933
+ 4649TIP3    H215396   1.098   4.437   0.208 -0.9034 -0.1294 -0.4629
+ 4650TIP3   OH215397   4.243   6.154   2.258 -0.2902 -0.1636  0.2209
+ 4650TIP3    H115398   4.274   6.242   2.235 -1.7783  0.3299 -0.0165
+ 4650TIP3    H215399   4.233   6.156   2.353  1.6711 -0.7688  0.4524
+ 4651TIP3   OH215400   5.260   6.039   1.641  0.4593  0.5822 -0.2573
+ 4651TIP3    H115401   5.262   5.989   1.723  0.5134  0.8152 -0.1140
+ 4651TIP3    H215402   5.246   5.974   1.573  3.5226 -0.0013 -0.3875
+ 4652TIP3   OH215403   3.731   4.732   6.129 -0.2509 -0.1388 -0.2506
+ 4652TIP3    H115404   3.712   4.717   6.037  0.4323 -0.4876 -0.3399
+ 4652TIP3    H215405   3.674   4.804   6.154  0.1839  0.5375 -1.1772
+ 4653TIP3   OH215406   2.953   5.736   1.477 -0.6891 -0.2747  0.6303
+ 4653TIP3    H115407   2.880   5.798   1.482 -0.8989 -0.4094 -0.6216
+ 4653TIP3    H215408   2.936   5.685   1.397  0.8393 -0.2307  0.2599
+ 4654TIP3   OH215409   5.403   5.486   4.797  0.1986  0.3605  0.4113
+ 4654TIP3    H115410   5.311   5.481   4.821 -0.0088  0.8276 -0.2726
+ 4654TIP3    H215411   5.443   5.410   4.839 -0.3855  0.4860  1.1949
+ 4655TIP3   OH215412   5.137   5.102   3.057  0.5521 -0.4431  0.2377
+ 4655TIP3    H115413   5.225   5.120   3.024  0.2412 -1.0332 -0.9386
+ 4655TIP3    H215414   5.106   5.186   3.092  1.2321 -0.0245 -0.1613
+ 4656TIP3   OH215415   5.984   5.004   4.754  0.3492 -0.4937  0.2565
+ 4656TIP3    H115416   5.988   4.909   4.758  0.6459 -0.4740  0.4224
+ 4656TIP3    H215417   6.040   5.034   4.826 -1.4117 -0.2006  1.5463
+ 4657TIP3   OH215418   0.654   5.334   3.229  0.1118  0.3605 -0.3622
+ 4657TIP3    H115419   0.628   5.312   3.318  0.5036 -0.3735 -0.4185
+ 4657TIP3    H215420   0.737   5.287   3.216 -0.1328  0.1509 -1.2360
+ 4658TIP3   OH215421   4.136   3.605   0.973  0.5595 -0.0155 -0.2074
+ 4658TIP3    H115422   4.126   3.673   1.039 -0.7775 -0.5977  0.2031
+ 4658TIP3    H215423   4.218   3.561   0.996  0.3516  0.1056  0.7659
+ 4659TIP3   OH215424   5.143   6.331   3.866 -0.0123  0.7339  0.8494
+ 4659TIP3    H115425   5.237   6.316   3.871 -0.2084 -0.7281  0.3345
+ 4659TIP3    H215426   5.104   6.247   3.892 -1.1577  0.7042 -0.8721
+ 4660TIP3   OH215427   0.514   3.996   0.816 -0.3668 -0.2651  0.3621
+ 4660TIP3    H115428   0.574   3.968   0.884  1.4417  0.6457 -0.8403
+ 4660TIP3    H215429   0.429   4.002   0.860  0.3174 -1.9209  1.9816
+ 4661TIP3   OH215430   4.870   5.172   3.848  0.7040 -0.4977  0.0953
+ 4661TIP3    H115431   4.940   5.232   3.822 -0.3086  0.9627  0.6601
+ 4661TIP3    H215432   4.861   5.185   3.942  0.4619 -1.5311  0.2202
+ 4662TIP3   OH215433   4.686   0.329   1.547 -0.0040  0.3950  0.7574
+ 4662TIP3    H115434   4.675   0.240   1.513 -0.2038  0.8461 -0.3726
+ 4662TIP3    H215435   4.599   0.352   1.580  0.0118  0.2315  0.9166
+ 4663TIP3   OH215436   5.232   1.061   5.589  0.5978 -0.1230 -0.0627
+ 4663TIP3    H115437   5.281   1.002   5.646 -0.1475 -0.5630  0.1279
+ 4663TIP3    H215438   5.300   1.108   5.539  1.2842  0.8053  1.6972
+ 4664TIP3   OH215439   4.668   6.719   1.469 -0.0899 -0.1524  0.3912
+ 4664TIP3    H115440   4.705   6.665   1.538 -0.2661 -1.7155 -0.7164
+ 4664TIP3    H215441   4.727   6.708   1.395 -1.5867 -0.9701 -0.7013
+ 4665TIP3   OH215442   3.853   5.386   2.904  0.1832 -0.0624  0.5258
+ 4665TIP3    H115443   3.907   5.464   2.891  0.1196 -0.0203  0.5136
+ 4665TIP3    H215444   3.773   5.404   2.855  0.8216 -0.8042 -0.8105
+ 4666TIP3   OH215445   4.131   5.795   2.358  0.4278 -0.2178 -0.0829
+ 4666TIP3    H115446   4.140   5.888   2.378  2.5177 -0.1301 -1.3324
+ 4666TIP3    H215447   4.210   5.755   2.394 -0.0712 -1.3923 -0.2641
+ 4667TIP3   OH215448   0.086   5.853   2.642  0.3127 -0.4131 -0.7693
+ 4667TIP3    H115449   0.107   5.825   2.553  1.9967 -2.5695  0.2530
+ 4667TIP3    H215450   0.128   5.788   2.698  1.4566  2.3374  1.6817
+ 4668TIP3   OH215451   4.183   4.522   4.521 -0.3078  0.3655  0.1839
+ 4668TIP3    H115452   4.205   4.606   4.480  0.4123  0.3819  0.5897
+ 4668TIP3    H215453   4.131   4.476   4.455 -0.2275  0.9048 -0.2599
+ 4669TIP3   OH215454   5.770   4.478   3.258  0.3138  0.3661  0.4415
+ 4669TIP3    H115455   5.836   4.410   3.247  0.6502  0.6586  0.6365
+ 4669TIP3    H215456   5.687   4.431   3.256  0.4975  0.0699 -0.4613
+ 4670TIP3   OH215457   5.933   3.426   4.036  0.0591  0.3311  0.3326
+ 4670TIP3    H115458   5.876   3.483   4.088  0.8247  2.2146 -0.8384
+ 4670TIP3    H215459   5.874   3.377   3.979 -0.5942  0.0914  1.2004
+ 4671TIP3   OH215460   6.368   3.567   1.684  0.0695  0.3074  1.7044
+ 4671TIP3    H115461   6.368   3.647   1.737  0.2593  0.6489  1.1962
+ 4671TIP3    H215462   6.414   3.502   1.737  2.0331  1.2024  1.1293
+ 4672TIP3   OH215463   5.611   3.959   2.670  0.0458  0.3801  0.7959
+ 4672TIP3    H115464   5.540   4.017   2.696 -1.6262 -1.0410 -0.5199
+ 4672TIP3    H215465   5.569   3.889   2.620  2.2345 -1.0371  0.8500
+ 4673TIP3   OH215466   6.560   6.581   2.831 -0.9729 -0.2766 -0.1122
+ 4673TIP3    H115467   6.472   6.543   2.832 -0.2718 -1.9199  0.2283
+ 4673TIP3    H215468   6.605   6.539   2.904 -0.0986  1.0372  0.1101
+ 4674TIP3   OH215469   5.997   3.019   6.859  0.3999 -0.5635 -0.5948
+ 4674TIP3    H115470   6.066   2.961   6.892 -0.2828 -1.1356 -0.1427
+ 4674TIP3    H215471   5.994   3.092   6.921 -0.1458 -1.0959  0.0177
+ 4675TIP3   OH215472   0.346   2.554   1.297 -0.2865 -0.6473  0.7782
+ 4675TIP3    H115473   0.254   2.578   1.285  0.4984  2.3477  0.3327
+ 4675TIP3    H215474   0.384   2.561   1.209  0.6602 -0.4387  1.1994
+ 4676TIP3   OH215475   5.586   6.359   4.170  0.4229  0.2044  0.1698
+ 4676TIP3    H115476   5.495   6.334   4.180  1.3007 -3.6771 -0.6799
+ 4676TIP3    H215477   5.625   6.346   4.256  0.4699  0.5278  0.1984
+ 4677TIP3   OH215478   1.307   4.007   6.868  0.2969 -0.3919 -0.2551
+ 4677TIP3    H115479   1.242   4.077   6.869  0.3208 -0.3715  0.7897
+ 4677TIP3    H215480   1.287   3.956   6.790 -0.6577 -0.0899 -0.2101
+ 4678TIP3   OH215481   6.603   4.361   3.477 -0.2834  0.6560 -0.1615
+ 4678TIP3    H115482   6.690   4.389   3.447 -0.2726 -0.0927 -0.8270
+ 4678TIP3    H215483   6.573   4.301   3.409 -2.4286  2.8952 -1.2932
+ 4679TIP3   OH215484   4.895   3.904   4.890  0.3977  0.7691  0.3789
+ 4679TIP3    H115485   4.981   3.941   4.912  0.8460  0.9678 -1.5976
+ 4679TIP3    H215486   4.835   3.978   4.900  0.8997  1.3903 -0.9968
+ 4680TIP3   OH215487   4.942   4.153   4.069 -0.0709  0.3662  0.3255
+ 4680TIP3    H115488   5.030   4.114   4.071 -0.6478 -0.9516  0.7440
+ 4680TIP3    H215489   4.951   4.230   4.013  1.0433 -0.5063 -0.7280
+ 4681TIP3   OH215490   6.384   3.227   2.756  0.2103 -0.2192  0.3488
+ 4681TIP3    H115491   6.304   3.278   2.745  0.1069 -0.1766  1.2754
+ 4681TIP3    H215492   6.417   3.215   2.667  1.2920  3.1910  0.1987
+ 4682TIP3   OH215493   5.673   1.357   1.413  0.1288 -0.2888 -0.4731
+ 4682TIP3    H115494   5.636   1.445   1.423 -0.6877 -0.6582 -0.1271
+ 4682TIP3    H215495   5.752   1.369   1.360  0.3767  0.7390  0.1146
+ 4683TIP3   OH215496   5.454   4.022   0.704  0.3478 -0.4028 -0.2299
+ 4683TIP3    H115497   5.370   3.980   0.685  1.0119 -0.2988 -3.6086
+ 4683TIP3    H215498   5.509   3.952   0.737 -0.6144 -0.7540  0.6758
+ 4684TIP3   OH215499   4.834   5.491   3.235 -0.0122 -0.1328 -0.1357
+ 4684TIP3    H115500   4.830   5.453   3.322 -0.4243  2.8012  1.1972
+ 4684TIP3    H215501   4.743   5.510   3.212  0.0488 -1.4038 -1.4428
+ 4685TIP3   OH215502   6.728   4.852   2.929 -0.3384  0.3987  0.0714
+ 4685TIP3    H115503   6.633   4.860   2.918 -0.4911 -2.3562 -1.0168
+ 4685TIP3    H215504   6.761   4.836   2.841  1.0320  0.2621  0.5976
+ 4686TIP3   OH215505   4.314   4.802   2.944  0.1218  0.3515 -0.0416
+ 4686TIP3    H115506   4.238   4.752   2.913 -0.0480 -0.3853  1.5335
+ 4686TIP3    H215507   4.351   4.748   3.013  2.8487  0.0883 -1.6259
+ 4687TIP3   OH215508   4.391   5.100   1.428 -0.1630 -0.1619 -0.1393
+ 4687TIP3    H115509   4.482   5.093   1.458 -0.4008  1.6450  1.0639
+ 4687TIP3    H215510   4.350   5.161   1.489 -1.8619  0.0083 -1.4154
+ 4688TIP3   OH215511   3.157   5.070   4.858  0.1842  0.0541  0.3427
+ 4688TIP3    H115512   3.184   5.066   4.950  0.6499  0.6902  0.2379
+ 4688TIP3    H215513   3.064   5.091   4.862  0.4847  1.3972  0.6627
+ 4689TIP3   OH215514   3.630   5.953   2.718  0.1994 -0.1629  0.4512
+ 4689TIP3    H115515   3.588   5.874   2.751  0.6343 -0.0205  1.3404
+ 4689TIP3    H215516   3.560   6.001   2.674 -0.0276 -1.1327 -0.2788
+ 4690TIP3   OH215517   3.346   5.965   1.725  0.2307  0.2274 -0.1202
+ 4690TIP3    H115518   3.318   6.056   1.732 -0.9813 -0.1015 -0.5959
+ 4690TIP3    H215519   3.406   5.964   1.651  0.6150  0.7233  0.1811
+ 4691TIP3   OH215520   3.368   6.257   4.146 -0.1886 -0.4733  0.2026
+ 4691TIP3    H115521   3.452   6.239   4.104  0.6268  0.8288  1.2356
+ 4691TIP3    H215522   3.385   6.248   4.240 -1.0906  0.2363  0.4478
+ 4692TIP3   OH215523   6.600   3.232   4.143  0.3069 -0.2927  0.2045
+ 4692TIP3    H115524   6.556   3.240   4.058  1.3591  1.0069 -0.2322
+ 4692TIP3    H215525   6.628   3.140   4.146 -1.7191 -0.9379  0.1560
+ 4693TIP3   OH215526   4.742   5.019   2.051 -0.1280  0.0243 -0.0529
+ 4693TIP3    H115527   4.778   5.053   2.132 -0.0519 -2.0609  0.8262
+ 4693TIP3    H215528   4.658   5.064   2.041  1.1487  2.4160 -0.3661
+ 4694TIP3   OH215529   4.442   6.291   3.597 -0.0345 -0.3618  0.6777
+ 4694TIP3    H115530   4.486   6.344   3.531  1.5279 -2.2339  0.1689
+ 4694TIP3    H215531   4.431   6.205   3.556 -1.4441 -0.7980  1.9038
+ 4695TIP3   OH215532   4.304   6.586   2.493  0.0906  0.0373  0.4446
+ 4695TIP3    H115533   4.219   6.566   2.452  0.0939  1.4802 -0.3105
+ 4695TIP3    H215534   4.286   6.659   2.552  0.8483  0.5146  0.0958
+ 4696TIP3   OH215535   4.088   3.008   1.165 -0.1200 -0.3919  0.4717
+ 4696TIP3    H115536   4.163   3.068   1.156 -2.0078  2.2379  1.6620
+ 4696TIP3    H215537   4.128   2.921   1.173  2.8494  1.0254  1.9311
+ 4697TIP3   OH215538   6.846   3.290   0.530 -0.0547  0.7069  0.2834
+ 4697TIP3    H115539   6.879   3.233   0.461 -0.4185  0.0138  0.6811
+ 4697TIP3    H215540   6.920   3.300   0.590 -0.6982 -1.2226  1.4162
+ 4698TIP3   OH215541   4.316   3.787   2.004 -0.0342  0.5147 -0.7067
+ 4698TIP3    H115542   4.389   3.726   1.995 -0.3097 -0.0733  0.9023
+ 4698TIP3    H215543   4.281   3.796   1.915 -0.0790 -1.7817 -0.9384
+ 4699TIP3   OH215544   3.216   4.600   2.388  0.0201 -0.1948  0.7860
+ 4699TIP3    H115545   3.158   4.673   2.365  2.2949  0.7892 -2.1268
+ 4699TIP3    H215546   3.302   4.640   2.396  1.0907 -2.3666  0.4414
+ 4700TIP3   OH215547   2.098   3.441   0.026  0.4959  0.1352 -0.8687
+ 4700TIP3    H115548   2.160   3.418   0.095  0.0543 -0.4108 -0.6590
+ 4700TIP3    H215549   2.084   3.360  -0.023  0.1245  0.3090 -1.0561
+ 4701TIP3   OH215550   4.326   4.327   2.524  0.0308 -0.6874  0.3807
+ 4701TIP3    H115551   4.280   4.345   2.606 -0.7225 -3.0530  0.5280
+ 4701TIP3    H215552   4.260   4.285   2.469  0.7410  0.1960 -1.1556
+ 4702TIP3   OH215553   0.718   4.442   1.315  0.4849 -0.6399 -0.1829
+ 4702TIP3    H115554   0.686   4.359   1.279 -1.0470 -0.0401 -0.2357
+ 4702TIP3    H215555   0.650   4.506   1.293 -0.2524 -0.1430  3.3388
+ 4703TIP3   OH215556   3.553   0.204   3.032 -0.4160  0.3684  0.2747
+ 4703TIP3    H115557   3.477   0.247   2.994  0.8049  1.7529 -0.6504
+ 4703TIP3    H215558   3.601   0.168   2.957  0.4159  0.4667  0.7446
+ 4704TIP3   OH215559   3.991   6.346   2.594 -0.2359  0.0314  0.1205
+ 4704TIP3    H115560   4.043   6.378   2.520 -0.6983  1.4993  0.3971
+ 4704TIP3    H215561   3.913   6.308   2.553  0.2847 -0.6946 -0.2155
+ 4705TIP3   OH215562   4.274   6.540   3.399  0.0638  0.1470 -0.0128
+ 4705TIP3    H115563   4.245   6.583   3.319  1.2604  1.8465  0.4413
+ 4705TIP3    H215564   4.361   6.505   3.378  1.1087  2.0541  1.0101
+ 4706TIP3   OH215565   6.253   4.583   3.363 -0.2130 -0.4195 -0.5710
+ 4706TIP3    H115566   6.302   4.565   3.283 -0.9422 -0.6677 -0.9668
+ 4706TIP3    H215567   6.188   4.649   3.337  1.3990  1.6448  0.4814
+ 4707TIP3   OH215568   4.777   4.715   3.629  0.6504 -0.3929 -0.5385
+ 4707TIP3    H115569   4.778   4.755   3.542 -3.1462 -1.1030 -0.9970
+ 4707TIP3    H215570   4.741   4.783   3.686  2.0305 -0.3359  0.2925
+ 4708TIP3   OH215571   1.158   4.945   3.969 -0.6639 -0.2864 -0.1790
+ 4708TIP3    H115572   1.083   4.986   3.927 -0.1853  1.1397  0.3419
+ 4708TIP3    H215573   1.160   4.982   4.057  0.7563 -0.1927 -0.2465
+ 4709TIP3   OH215574   6.048   0.931   4.727  0.2575 -0.1325  0.0305
+ 4709TIP3    H115575   6.118   0.868   4.709 -0.6370 -1.6855  1.7902
+ 4709TIP3    H215576   5.968   0.879   4.721 -0.4666  0.7386  1.9487
+ 4710TIP3   OH215577   6.457   6.702   4.442 -0.1511 -0.4261 -0.1822
+ 4710TIP3    H115578   6.402   6.781   4.449  0.8917  0.3899 -0.9681
+ 4710TIP3    H215579   6.537   6.724   4.490 -0.3212 -1.4358  0.5650
+ 4711TIP3   OH215580   5.717   4.960   2.060  0.5650  0.0093  0.0850
+ 4711TIP3    H115581   5.627   4.951   2.030 -0.2087  0.4514  2.2206
+ 4711TIP3    H215582   5.739   4.874   2.096  0.5289  0.2994  0.8076
+ 4712TIP3   OH215583   0.665   4.500   3.428 -0.4993 -0.2395  0.1298
+ 4712TIP3    H115584   0.724   4.511   3.354 -0.7172 -0.8414 -0.1378
+ 4712TIP3    H215585   0.612   4.424   3.405 -3.3947  2.0240 -0.9962
+ 4713TIP3   OH215586   5.727   5.675   2.698 -0.1121 -0.1438  0.5962
+ 4713TIP3    H115587   5.758   5.680   2.608  1.9744 -0.6696  1.2368
+ 4713TIP3    H215588   5.722   5.767   2.727 -2.4979  0.1111 -0.5822
+ 4714TIP3   OH215589   5.400   4.388   5.919  0.3689 -0.1205  0.0925
+ 4714TIP3    H115590   5.457   4.399   5.996  1.5310 -1.0659 -0.6220
+ 4714TIP3    H215591   5.358   4.303   5.932 -2.5662  1.4710  1.6748
+ 4715TIP3   OH215592   3.678   5.849   1.900  0.4689  0.2679  0.1765
+ 4715TIP3    H115593   3.598   5.796   1.895  0.1065  0.7818  0.5102
+ 4715TIP3    H215594   3.647   5.937   1.920  1.0606  0.6418 -0.5205
+ 4716TIP3   OH215595   1.062   4.412   1.660 -0.2177  0.4278  0.0995
+ 4716TIP3    H115596   0.977   4.409   1.616  0.4125  0.7224 -1.1650
+ 4716TIP3    H215597   1.045   4.376   1.747 -0.7088 -3.8883 -1.6781
+ 4717TIP3   OH215598   5.587   4.997   4.033  0.9887 -0.4762 -0.6093
+ 4717TIP3    H115599   5.492   4.998   4.022  1.1678 -1.1290 -2.2876
+ 4717TIP3    H215600   5.608   5.085   4.065 -0.1628 -0.3040 -0.2948
+ 4718TIP3   OH215601   0.147   3.844   3.862 -0.2713 -0.0311 -0.3098
+ 4718TIP3    H115602   0.136   3.753   3.834  2.8614 -0.7042  0.4561
+ 4718TIP3    H215603   0.150   3.839   3.957  1.0869  0.7297 -0.3093
+ 4719TIP3   OH215604   6.886   5.838   0.870  0.1257  0.1282 -0.0860
+ 4719TIP3    H115605   6.963   5.892   0.883  0.5695  0.0249 -2.1027
+ 4719TIP3    H215606   6.830   5.890   0.812 -0.1445 -0.8853 -0.7494
+ 4720TIP3   OH215607   6.143   4.856   5.169  0.0188  0.2974 -0.7360
+ 4720TIP3    H115608   6.117   4.795   5.100  2.1580  0.1750 -1.4865
+ 4720TIP3    H215609   6.237   4.866   5.157  0.2504  1.1022  1.5258
+ 4721TIP3   OH215610   6.163   4.076   3.711 -0.2451 -0.2037  0.1521
+ 4721TIP3    H115611   6.209   4.138   3.768 -2.3579 -0.0238  1.7398
+ 4721TIP3    H215612   6.230   4.015   3.683  1.5914  1.8919 -0.1885
+ 4722TIP3   OH215613   0.432   3.720   4.040  0.5985 -0.0976  0.2058
+ 4722TIP3    H115614   0.461   3.810   4.050  0.0151  0.1031  0.1248
+ 4722TIP3    H215615   0.347   3.717   4.084  0.4000 -0.4915 -0.1956
+ 4723TIP3   OH215616   4.089   5.195   3.565  0.4815  0.5475  1.0930
+ 4723TIP3    H115617   4.168   5.152   3.531 -0.2148 -0.7215  1.0235
+ 4723TIP3    H215618   4.061   5.138   3.637  0.9971  2.3061  2.7217
+ 4724TIP3   OH215619   6.227   2.322   2.075 -0.2661  0.0274  0.2848
+ 4724TIP3    H115620   6.293   2.270   2.029 -0.3213 -0.7419  1.0620
+ 4724TIP3    H215621   6.185   2.373   2.007 -0.1846 -0.9252 -0.4844
+ 4725TIP3   OH215622   1.560   6.345   2.535 -0.1488  0.1074 -0.1713
+ 4725TIP3    H115623   1.571   6.252   2.512  0.5233  0.2296 -0.3646
+ 4725TIP3    H215624   1.513   6.382   2.460 -2.3171 -0.5061  0.8390
+ 4726TIP3   OH215625   4.086   6.072   2.499 -0.0796 -0.2762  0.2012
+ 4726TIP3    H115626   4.054   6.003   2.557  2.1369 -1.2548  0.2776
+ 4726TIP3    H215627   4.056   6.153   2.541 -1.2241 -1.1040  1.0120
+ 4727TIP3   OH215628   6.298   5.173   2.893  0.4118 -0.5757  0.3490
+ 4727TIP3    H115629   6.256   5.184   2.808 -0.6389  0.1765  0.9721
+ 4727TIP3    H215630   6.226   5.162   2.955  1.1899 -2.3974  0.9758
+ 4728TIP3   OH215631   5.179   1.086   3.553  0.1953 -0.2836  0.3555
+ 4728TIP3    H115632   5.211   1.160   3.501  0.7216 -0.7295  0.0414
+ 4728TIP3    H215633   5.186   1.011   3.494 -1.4786 -0.3890  0.2623
+ 4729TIP3   OH215634   0.321   5.322   4.513  0.0722 -0.8723  0.6117
+ 4729TIP3    H115635   0.316   5.368   4.429  0.3373  0.0261  1.0757
+ 4729TIP3    H215636   0.376   5.246   4.495  0.0913 -0.7073 -0.0460
+ 4730TIP3   OH215637   5.028   6.796   2.015 -0.0017 -0.1157 -0.1731
+ 4730TIP3    H115638   5.086   6.776   1.942  0.3366 -1.0436  0.3485
+ 4730TIP3    H215639   5.057   6.738   2.086 -0.3947  0.6922  0.6633
+ 4731TIP3   OH215640   6.280   4.469   1.907 -0.1234  0.1760  0.6083
+ 4731TIP3    H115641   6.253   4.560   1.893 -0.1614  0.3277  1.6699
+ 4731TIP3    H215642   6.283   4.431   1.819  1.2531  1.5826  0.0329
+ 4732TIP3   OH215643   0.311   2.852   4.693 -0.3713 -0.0579  0.3499
+ 4732TIP3    H115644   0.392   2.904   4.697  0.1876 -0.8950 -0.0375
+ 4732TIP3    H215645   0.297   2.822   4.783  1.1500 -2.0338 -0.0398
+ 4733TIP3   OH215646   1.587   5.842   1.370  0.3635 -0.2790 -0.3817
+ 4733TIP3    H115647   1.666   5.834   1.316  1.1843 -1.3712  0.9445
+ 4733TIP3    H215648   1.533   5.906   1.324  1.2535 -0.8225 -2.2244
+ 4734TIP3   OH215649   6.846   5.670   5.401 -0.2660 -0.2307  0.3228
+ 4734TIP3    H115650   6.773   5.638   5.455 -0.9735  0.8828  0.0452
+ 4734TIP3    H215651   6.891   5.734   5.457 -0.0311 -0.2627  0.1721
+ 4735TIP3   OH215652   6.078   6.490   2.265  0.2721 -0.6194  0.0937
+ 4735TIP3    H115653   6.043   6.559   2.322 -1.2137 -2.1022  1.0287
+ 4735TIP3    H215654   6.004   6.462   2.213  1.5406  0.4403 -2.3454
+ 4736TIP3   OH215655   6.436   4.672   1.707 -0.7449 -0.0337  0.1306
+ 4736TIP3    H115656   6.479   4.633   1.783 -1.2166 -0.5408  0.1410
+ 4736TIP3    H215657   6.396   4.597   1.662  1.2905 -0.0454 -1.7591
+ 4737TIP3   OH215658   4.611   4.743   2.982  0.4386 -0.4399 -0.1987
+ 4737TIP3    H115659   4.522   4.772   3.000 -0.7326 -4.3673  0.9276
+ 4737TIP3    H215660   4.663   4.777   3.055 -0.5996 -0.1235  0.4016
+ 4738TIP3   OH215661   5.406   6.856   5.129 -0.5527 -0.8324 -0.2151
+ 4738TIP3    H115662   5.485   6.807   5.153 -1.1830 -1.4476  0.5956
+ 4738TIP3    H215663   5.382   6.822   5.043  0.4657 -0.1516 -0.7760
+ 4739TIP3   OH215664   6.320   3.836   3.626 -0.5430 -0.2973 -0.2946
+ 4739TIP3    H115665   6.353   3.877   3.546 -1.5977 -0.6402 -0.9147
+ 4739TIP3    H215666   6.368   3.754   3.633 -3.0433 -2.0327 -2.5945
+ 4740TIP3   OH215667   3.678   5.474   3.373  0.3829 -0.1215 -0.2307
+ 4740TIP3    H115668   3.700   5.411   3.442  0.4309  0.8265  0.6365
+ 4740TIP3    H215669   3.720   5.555   3.401  0.2341  0.3207 -1.2884
+ 4741TIP3   OH215670   5.271   4.803   2.846  0.0965  0.3447  0.1108
+ 4741TIP3    H115671   5.211   4.794   2.772 -0.4357 -3.6209  0.9351
+ 4741TIP3    H215672   5.214   4.805   2.923  0.8806 -0.7315  0.7263
+ 4742TIP3   OH215673   5.564   4.213   5.550 -0.1732  0.2320 -0.3931
+ 4742TIP3    H115674   5.507   4.272   5.501 -1.2657 -0.4878  0.0073
+ 4742TIP3    H215675   5.583   4.141   5.490 -2.4164 -1.2141  0.5785
+ 4743TIP3   OH215676   0.846   6.735   6.376 -0.2585 -0.2137 -0.4733
+ 4743TIP3    H115677   0.835   6.710   6.284 -1.9014 -1.1431 -0.0534
+ 4743TIP3    H215678   0.836   6.830   6.377 -0.0409 -0.1810 -1.2856
+ 4744TIP3   OH215679   4.996   4.296   0.754 -0.2818  0.3950 -0.4748
+ 4744TIP3    H115680   4.983   4.207   0.787  0.3697 -0.0260 -1.3196
+ 4744TIP3    H215681   4.997   4.286   0.659 -1.0357  1.4299 -0.6064
+ 4745TIP3   OH215682   5.305   6.608   2.724 -0.8875  0.4692  0.2987
+ 4745TIP3    H115683   5.353   6.681   2.686 -1.9609  1.5507  1.0042
+ 4745TIP3    H215684   5.346   6.530   2.686 -1.2459  1.4776 -2.2925
+ 4746TIP3   OH215685   6.387   3.348   2.272 -0.1742 -0.0879 -0.3751
+ 4746TIP3    H115686   6.366   3.395   2.191 -1.5954  0.0049  0.0191
+ 4746TIP3    H215687   6.322   3.278   2.276 -1.7554  1.4211  1.9157
+ 4747TIP3   OH215688   0.084   3.221   2.189 -0.2596 -0.3485 -0.0816
+ 4747TIP3    H115689   0.067   3.314   2.204 -0.5242 -0.2829 -0.7785
+ 4747TIP3    H215690   0.057   3.206   2.098  0.8808 -0.8404 -0.3552
+ 4748TIP3   OH215691   5.644   4.699   3.399 -0.1072  0.8060 -0.1939
+ 4748TIP3    H115692   5.685   4.626   3.352 -1.5710 -0.9348  1.1581
+ 4748TIP3    H215693   5.580   4.734   3.336  0.4247  0.7877 -0.7570
+ 4749TIP3   OH215694   0.815   5.752   3.863 -0.2849 -0.0707  0.4344
+ 4749TIP3    H115695   0.756   5.791   3.799 -1.7880 -2.2735  0.4377
+ 4749TIP3    H215696   0.900   5.751   3.819 -0.6961  1.0735 -0.4101
+ 4750TIP3   OH215697   6.814   6.271   4.252 -0.0874  0.5179  0.6619
+ 4750TIP3    H115698   6.781   6.184   4.231 -1.4743  1.1904 -0.0312
+ 4750TIP3    H215699   6.780   6.327   4.183  1.0501  1.5622  0.9313
+ 4751TIP3   OH215700   6.078   3.959   1.062 -0.6004  0.5574  0.1727
+ 4751TIP3    H115701   6.091   4.005   1.145 -0.8442  1.0669 -0.0694
+ 4751TIP3    H215702   5.983   3.953   1.053 -0.6677  3.5474 -1.7280
+ 4752TIP3   OH215703   3.718   5.115   0.201 -0.3505 -0.0825 -0.4264
+ 4752TIP3    H115704   3.666   5.117   0.281  2.3285 -2.2868  1.4923
+ 4752TIP3    H215705   3.808   5.127   0.231  0.7124 -0.8304 -3.1360
+ 4753TIP3   OH215706   5.044   5.153   2.774 -0.1983 -0.3986 -0.3598
+ 4753TIP3    H115707   5.066   5.121   2.862  2.9539 -1.2518 -1.3841
+ 4753TIP3    H215708   5.075   5.244   2.774 -3.0452  0.6275  0.3658
+ 4754TIP3   OH215709   5.711   2.319   4.230 -0.9781  0.5078  0.2242
+ 4754TIP3    H115710   5.627   2.363   4.243 -0.3294  1.8159  0.1365
+ 4754TIP3    H215711   5.709   2.292   4.138 -1.3689  0.4004  0.2615
+ 4755TIP3   OH215712   6.269   5.996   2.053  0.2261 -0.0398  0.0689
+ 4755TIP3    H115713   6.196   6.049   2.087 -1.0072 -1.6824  0.0625
+ 4755TIP3    H215714   6.259   6.000   1.958  0.8989  0.7413  0.0235
+ 4756TIP3   OH215715   5.619   3.384   2.019 -0.0068  0.1381  0.1006
+ 4756TIP3    H115716   5.686   3.318   2.038 -0.7440 -0.9351 -0.9689
+ 4756TIP3    H215717   5.637   3.454   2.082  1.7835 -0.3632  0.1888
+ 4757TIP3   OH215718   0.639   2.519   1.173 -0.1113 -0.3746  0.3992
+ 4757TIP3    H115719   0.593   2.516   1.089 -0.5385  2.7758  0.4516
+ 4757TIP3    H215720   0.724   2.480   1.155 -0.9914 -1.7314 -0.9403
+ 4758TIP3   OH215721   6.259   3.624   2.685 -0.1433  0.2461  0.2105
+ 4758TIP3    H115722   6.342   3.577   2.684 -0.0441  0.3665  1.8333
+ 4758TIP3    H215723   6.284   3.717   2.678 -0.0629  0.3566  1.7882
+ 4759TIP3   OH215724   5.093   6.508   3.142  0.2573 -0.1447  0.0303
+ 4759TIP3    H115725   5.153   6.433   3.142  0.3089 -0.1051  0.8196
+ 4759TIP3    H215726   5.091   6.537   3.233 -0.0622  0.5781 -0.2069
+ 4760TIP3   OH215727   6.675   3.105   2.815  0.4178  0.0141  0.2621
+ 4760TIP3    H115728   6.653   3.011   2.812 -0.7216  0.1699  2.6050
+ 4760TIP3    H215729   6.600   3.148   2.775 -0.1332  0.0647  1.3384
+ 4761TIP3   OH215730   5.902   2.990   2.718 -0.1195  0.8005 -0.3440
+ 4761TIP3    H115731   5.927   2.921   2.780 -1.0447 -0.0995 -0.9612
+ 4761TIP3    H215732   5.982   3.008   2.668  0.4135  0.9532  0.5571
+ 4762TIP3   OH215733   4.674   3.915   0.112 -0.0866 -0.0598  0.2167
+ 4762TIP3    H115734   4.665   3.858   0.036  0.4322  2.0072 -1.4149
+ 4762TIP3    H215735   4.586   3.917   0.150 -0.3645 -1.0439 -0.3488
+ 4763TIP3   OH215736   0.099   5.398   0.273 -0.3526  0.1379 -0.0187
+ 4763TIP3    H115737   0.103   5.302   0.278 -0.3295  0.0367 -1.8067
+ 4763TIP3    H215738   0.006   5.417   0.260 -0.3350  0.3570  0.1758
+ 4764TIP3   OH215739   5.120   6.519   4.449 -0.7079  0.4118 -0.1605
+ 4764TIP3    H115740   5.134   6.464   4.525 -0.4181 -0.8675 -1.1329
+ 4764TIP3    H215741   5.192   6.582   4.451  0.5268 -0.9678 -0.5660
+ 4765TIP3   OH215742   5.216   0.160   2.615  0.1105 -0.4418 -0.2822
+ 4765TIP3    H115743   5.166   0.158   2.533  0.0903 -2.2043 -0.2548
+ 4765TIP3    H215744   5.294   0.107   2.596  1.3937  1.2929  0.0442
+ 4766TIP3   OH215745   0.566   2.822   1.039  0.1578  0.1680 -0.6651
+ 4766TIP3    H115746   0.520   2.746   1.002 -0.0744  0.3489 -0.7490
+ 4766TIP3    H215747   0.651   2.787   1.065 -0.4783 -0.4507  0.6432
+ 4767TIP3   OH215748   4.253   0.039   5.316 -0.1251 -0.2242  0.1560
+ 4767TIP3    H115749   4.178   0.084   5.356  1.3445  0.3920  2.2786
+ 4767TIP3    H215750   4.324   0.102   5.320  0.6352 -0.9518 -1.4864
+ 4768TIP3   OH215751   5.839   6.491   4.755  0.3464  0.9429 -0.3157
+ 4768TIP3    H115752   5.873   6.575   4.787 -0.2995  1.5822 -1.2986
+ 4768TIP3    H215753   5.784   6.459   4.827 -0.4329  1.9816 -0.4303
+ 4769TIP3   OH215754   0.811   5.642   1.863 -0.5687  0.2586  0.3810
+ 4769TIP3    H115755   0.823   5.736   1.854 -1.8067  0.2546 -1.8055
+ 4769TIP3    H215756   0.898   5.605   1.847 -0.0642  1.0065  1.3150
+ 4770TIP3   OH215757   5.856   3.565   3.683  0.1209 -0.2966  0.1750
+ 4770TIP3    H115758   5.940   3.604   3.705  0.4157  0.4745 -2.2265
+ 4770TIP3    H215759   5.793   3.612   3.738  0.9997  0.6255  0.4127
+ 4771TIP3   OH215760   4.435   5.449   2.475  0.7211 -0.2124 -0.0687
+ 4771TIP3    H115761   4.342   5.424   2.474  0.5441  0.4341  0.0016
+ 4771TIP3    H215762   4.467   5.425   2.389  0.8075 -1.6274  0.3453
+ 4772TIP3   OH215763   0.713   2.960   2.329  0.0212  0.2940  0.2816
+ 4772TIP3    H115764   0.645   3.009   2.375  0.4053 -0.7723  2.0006
+ 4772TIP3    H215765   0.788   3.019   2.328 -0.4646  0.9218 -0.3789
+ 4773TIP3   OH215766   5.065   4.809   3.371 -0.1792 -0.0135  0.8117
+ 4773TIP3    H115767   5.076   4.842   3.460  0.4890  0.7248  0.4640
+ 4773TIP3    H215768   5.078   4.715   3.378  2.7370  0.3714  1.0380
+ 4774TIP3   OH215769   6.781   0.460   4.634 -0.3681 -0.5628  0.0600
+ 4774TIP3    H115770   6.853   0.491   4.579 -2.1766  2.4154 -0.6989
+ 4774TIP3    H215771   6.818   0.460   4.723  1.0367 -0.5884 -0.5064
+ 4775TIP3   OH215772   5.545   6.455   4.505 -0.4644  0.1012 -0.1050
+ 4775TIP3    H115773   5.611   6.513   4.467  0.3255  0.4347  1.7338
+ 4775TIP3    H215774   5.586   6.369   4.506 -1.0595 -0.2113 -1.3972
+ 4776TIP3   OH215775   5.492   5.793   2.052 -0.0880  0.4407 -0.1836
+ 4776TIP3    H115776   5.494   5.730   2.124 -1.8604 -1.0938 -1.4273
+ 4776TIP3    H215777   5.557   5.760   1.990  0.2475  0.8394 -0.0490
+ 4777TIP3   OH215778   6.021  -0.002   2.085 -0.4607 -0.2588 -0.0208
+ 4777TIP3    H115779   6.009   0.088   2.116  0.6520 -0.3840  0.7957
+ 4777TIP3    H215780   6.094   0.004   2.023 -0.4685 -0.5911 -0.0626
+ 4778TIP3   OH215781   6.470   5.325   6.327 -0.5529 -0.0809 -0.6551
+ 4778TIP3    H115782   6.451   5.349   6.417 -0.9482 -0.7533 -0.5527
+ 4778TIP3    H215783   6.565   5.308   6.327 -1.0597 -3.2478  0.4203
+ 4779TIP3   OH215784   1.554   6.452   2.003 -0.2487 -0.4207 -0.1140
+ 4779TIP3    H115785   1.631   6.503   1.976 -0.2190 -0.4451 -0.0748
+ 4779TIP3    H215786   1.567   6.436   2.096 -0.9578  0.6980  0.1820
+ 4780TIP3   OH215787   5.690   3.386   5.777 -0.2572 -0.2873  0.3457
+ 4780TIP3    H115788   5.624   3.318   5.784 -1.0169  0.3341 -0.6510
+ 4780TIP3    H215789   5.726   3.376   5.689 -1.2655  1.3811 -0.2873
+ 4781TIP3   OH215790   6.585   3.471   1.232  0.4607 -0.3894  0.2942
+ 4781TIP3    H115791   6.615   3.389   1.272  0.3794  0.5334  2.3168
+ 4781TIP3    H215792   6.624   3.470   1.145 -1.5657 -3.7477 -0.6950
+ 4782TIP3   OH215793   4.817   0.006   1.695 -0.0063 -0.6869 -0.4253
+ 4782TIP3    H115794   4.884   0.073   1.708 -0.4604 -0.1682 -0.7490
+ 4782TIP3    H215795   4.778   0.027   1.610 -1.5017 -0.1681  0.3687
+ 4783TIP3   OH215796   0.735   3.465   0.297 -0.5458 -0.1957 -0.1644
+ 4783TIP3    H115797   0.650   3.429   0.273 -0.3159 -1.9430  1.5874
+ 4783TIP3    H215798   0.798   3.399   0.272  0.0301 -0.2644  1.3717
+ 4784TIP3   OH215799   5.879   5.978   3.399 -0.1538  0.3048  0.0471
+ 4784TIP3    H115800   5.926   5.979   3.483  0.3910  1.1966 -0.2594
+ 4784TIP3    H215801   5.915   6.052   3.351 -1.0519  0.2916 -0.6586
+ 4785TIP3   OH215802   0.532   1.675   4.531 -0.1871 -0.4203 -0.2388
+ 4785TIP3    H115803   0.473   1.621   4.478 -0.2619 -0.8982  0.3158
+ 4785TIP3    H215804   0.564   1.742   4.472  0.4724 -1.5176 -1.1445
+ 4786TIP3   OH215805   4.392   2.446   2.120 -0.0533  0.3036  0.6908
+ 4786TIP3    H115806   4.460   2.457   2.186 -1.8699  0.9133  2.5119
+ 4786TIP3    H215807   4.329   2.386   2.160 -1.5102  1.2092 -0.1792
+ 4787TIP3   OH215808   5.461   5.825   3.626  0.7241 -0.0024 -0.1995
+ 4787TIP3    H115809   5.367   5.829   3.607  0.3633 -0.6370  1.3733
+ 4787TIP3    H215810   5.472   5.883   3.701  1.4480 -0.5915  0.1502
+ 4788TIP3   OH215811   0.482   3.364   3.537 -0.4026  0.2836  0.6377
+ 4788TIP3    H115812   0.502   3.271   3.533 -0.2971  0.3372 -0.1890
+ 4788TIP3    H215813   0.391   3.370   3.508 -0.2013  0.5047  0.0465
+ 4789TIP3   OH215814   4.888   4.122   2.501 -0.0303 -0.5698 -0.4217
+ 4789TIP3    H115815   4.969   4.129   2.551 -0.1451  0.6343 -0.3779
+ 4789TIP3    H215816   4.882   4.205   2.453 -0.2901 -1.4065 -1.8708
+ 4790TIP3   OH215817   6.494   5.584   3.097  0.2899  0.0478 -0.6308
+ 4790TIP3    H115818   6.557   5.512   3.110  0.6091  0.5179  0.4354
+ 4790TIP3    H215819   6.483   5.589   3.002  0.6677 -1.0699 -0.7414
+ 4791TIP3   OH215820   6.793   6.666   4.017  0.2371  0.1318 -0.3415
+ 4791TIP3    H115821   6.880   6.640   4.049  0.5518 -1.3815 -2.2934
+ 4791TIP3    H215822   6.812   6.727   3.946 -0.3633  1.4113  0.5981
+ 4792TIP3   OH215823   4.840   5.829   4.048 -0.0142  0.2645 -0.9748
+ 4792TIP3    H115824   4.907   5.870   3.993  0.8393 -3.9079 -3.1975
+ 4792TIP3    H215825   4.776   5.794   3.986 -2.8848  1.6803  1.0296
+ 4793TIP3   OH215826   5.296   4.793   5.744 -0.7473 -0.0351 -0.1968
+ 4793TIP3    H115827   5.270   4.700   5.741 -0.0365 -0.2207 -0.6815
+ 4793TIP3    H215828   5.302   4.813   5.837  0.2774 -0.8170 -0.0787
+ 4794TIP3   OH215829   0.574   6.204   0.566 -0.4107  0.3660  0.6352
+ 4794TIP3    H115830   0.559   6.110   0.564 -1.6601  0.5732 -0.1750
+ 4794TIP3    H215831   0.557   6.233   0.476  1.1956  1.1864  0.5652
+ 4795TIP3   OH215832   6.789   4.781   3.430 -0.3911 -0.3891 -0.2951
+ 4795TIP3    H115833   6.755   4.870   3.425 -1.4192 -0.8142 -1.2419
+ 4795TIP3    H215834   6.820   4.762   3.341  1.7219 -0.2613  0.3834
+ 4796TIP3   OH215835   5.434   4.459   1.364 -0.4853 -0.1011  0.5391
+ 4796TIP3    H115836   5.342   4.466   1.339 -0.0185  0.4977 -1.1232
+ 4796TIP3    H215837   5.459   4.369   1.342 -0.4975 -0.0519  0.3194
+ 4797TIP3   OH215838   5.150  -0.013   4.753 -0.4797 -0.0283  0.0760
+ 4797TIP3    H115839   5.157   0.005   4.659  1.0666 -2.6788 -0.3599
+ 4797TIP3    H215840   5.217   0.042   4.793  0.6846 -0.8589 -0.6842
+ 4798TIP3   OH215841   2.105   3.993   0.712 -0.4320 -0.8140  0.3413
+ 4798TIP3    H115842   2.165   3.948   0.653 -0.0986 -1.1141  0.9034
+ 4798TIP3    H215843   2.153   4.071   0.741  0.2710 -1.8215  1.9477
+ 4799TIP3   OH215844   5.698   6.801   3.870 -0.5106  0.6277  0.6762
+ 4799TIP3    H115845   5.751   6.850   3.932  3.1896 -0.3234 -1.6023
+ 4799TIP3    H215846   5.695   6.712   3.906 -0.2728  0.5924  0.6033
+ 4800TIP3   OH215847   6.032   4.019   3.430 -0.0691 -0.4934  0.3420
+ 4800TIP3    H115848   5.956   3.962   3.435 -2.6116  2.8187  1.1641
+ 4800TIP3    H215849   6.067   4.021   3.519 -0.1853 -0.4961  0.3867
+ 4801TIP3   OH215850   5.634   3.397   5.049  0.1438  0.7392 -0.0675
+ 4801TIP3    H115851   5.711   3.428   5.097  0.9254  0.9419 -1.4412
+ 4801TIP3    H215852   5.654   3.305   5.028 -0.4367  0.4854  0.4609
+ 4802TIP3   OH215853   6.522   4.828   1.218  0.1319  0.3402 -0.4273
+ 4802TIP3    H115854   6.458   4.818   1.148  0.8346  2.1839 -1.3576
+ 4802TIP3    H215855   6.504   4.754   1.277 -0.4552 -1.2451 -2.5246
+ 4803TIP3   OH215856   5.542   6.052   4.402 -0.0257  0.5295  0.4173
+ 4803TIP3    H115857   5.628   6.093   4.399  0.5099 -0.5202  1.4021
+ 4803TIP3    H215858   5.482   6.123   4.425  0.9098  0.7564  2.1977
+ 4804TIP3   OH215859   5.232   4.216   2.239 -0.0814 -0.4245  0.5068
+ 4804TIP3    H115860   5.180   4.185   2.165  1.9336 -0.1631 -1.0648
+ 4804TIP3    H215861   5.311   4.161   2.237  0.7276  0.6869  1.4542
+ 4805TIP3   OH215862   5.644   1.974   3.740  0.2324 -0.8335 -0.5880
+ 4805TIP3    H115863   5.594   2.000   3.663 -0.6595  0.5882  0.4407
+ 4805TIP3    H215864   5.644   1.878   3.738 -1.6869 -0.8360 -1.1492
+ 4806TIP3   OH215865   1.047   5.298   2.272 -0.5592  0.4144  0.5402
+ 4806TIP3    H115866   1.090   5.259   2.196 -0.1774  1.1856  0.3479
+ 4806TIP3    H215867   0.973   5.347   2.236 -0.4346  0.7020  0.6715
+ 4807TIP3   OH215868   6.357   5.689   5.411 -0.9111  0.0497 -0.2833
+ 4807TIP3    H115869   6.272   5.677   5.455 -0.5351  0.1988  0.4908
+ 4807TIP3    H215870   6.334   5.716   5.322 -1.6809 -0.1595 -0.1581
+ 4808TIP3   OH215871   6.373   3.981   3.402  0.0243  0.1729 -0.0782
+ 4808TIP3    H115872   6.363   4.072   3.432  2.5764  0.6526 -0.5830
+ 4808TIP3    H215873   6.402   3.989   3.311 -0.0151 -1.1590 -0.2141
+ 4809TIP3   OH215874   0.290   3.402   3.008 -0.1238 -0.2564 -0.8034
+ 4809TIP3    H115875   0.293   3.472   3.074  1.1011 -0.3776 -0.7081
+ 4809TIP3    H215876   0.197   3.391   2.989 -0.3397  1.4658 -0.8909
+ 4810TIP3   OH215877   0.056   4.850   3.932  0.0866  0.4091 -0.4500
+ 4810TIP3    H115878   0.047   4.945   3.945 -2.0857  0.3076 -0.9804
+ 4810TIP3    H215879   0.008   4.811   4.004 -1.0330 -0.2461 -1.5226
+ 4811TIP3   OH215880   6.406   4.363   6.072  0.3131 -0.7342 -0.3600
+ 4811TIP3    H115881   6.456   4.283   6.055  1.1469 -0.1589 -0.6311
+ 4811TIP3    H215882   6.319   4.344   6.037  0.6709 -1.3155 -0.9569
+ 4812TIP3   OH215883   0.210   5.478   0.550  0.5778  0.2112  0.0933
+ 4812TIP3    H115884   0.182   5.563   0.514  1.0379  0.6013  0.6394
+ 4812TIP3    H215885   0.278   5.448   0.489 -0.7050 -0.5305 -0.9911
+ 4813TIP3   OH215886   5.205   5.773   2.884 -0.6070 -0.1118  0.5975
+ 4813TIP3    H115887   5.191   5.822   2.803  0.7892 -2.4155 -1.1077
+ 4813TIP3    H215888   5.145   5.699   2.878  0.1543 -0.7972  1.2416
+ 4814TIP3   OH215889   6.071   0.919   5.004 -0.3173 -0.3545 -0.3000
+ 4814TIP3    H115890   6.071   0.932   4.910  0.9342  0.6673 -0.1819
+ 4814TIP3    H215891   6.016   0.989   5.039  0.6387  0.3416 -0.1614
+ 4815TIP3   OH215892   6.426   0.395   4.699  0.1635 -0.1960 -0.1845
+ 4815TIP3    H115893   6.511   0.439   4.694 -0.2269  0.3926 -2.2665
+ 4815TIP3    H215894   6.380   0.440   4.770  1.4234 -0.2508  0.6923
+ 4816TIP3   OH215895   5.061   4.273   3.547 -0.5980  0.4081 -0.0109
+ 4816TIP3    H115896   5.137   4.257   3.602  0.3663  0.5079 -1.3170
+ 4816TIP3    H215897   5.006   4.196   3.559  0.7551 -0.6928 -0.8289
+ 4817TIP3   OH215898   6.833   5.535   2.515 -0.1774  0.2231 -0.2572
+ 4817TIP3    H115899   6.753   5.561   2.561 -0.6783  0.3394 -1.1678
+ 4817TIP3    H215900   6.901   5.533   2.583 -1.4474 -2.2980  0.9895
+ 4818TIP3   OH215901   5.311   4.001   4.696 -0.7821 -0.2318 -0.2832
+ 4818TIP3    H115902   5.383   3.964   4.646  0.2650  0.0621  0.9923
+ 4818TIP3    H215903   5.233   3.982   4.643  0.1828 -0.8008 -1.5232
+ 4819TIP3   OH215904   6.468   2.574   3.240  0.7025 -0.0235 -0.7640
+ 4819TIP3    H115905   6.426   2.661   3.239 -1.2882 -0.9062  1.0243
+ 4819TIP3    H215906   6.473   2.551   3.333  1.4082 -1.7411 -1.2037
+ 4820TIP3   OH215907   6.100   5.803   3.201  0.1502 -0.4924 -0.2883
+ 4820TIP3    H115908   6.157   5.836   3.131 -0.1589 -1.9777 -1.2443
+ 4820TIP3    H215909   6.019   5.853   3.192  0.3143 -0.2843 -0.6118
+ 4821TIP3   OH215910   5.251   6.002   5.646  0.5787  0.0590  0.1022
+ 4821TIP3    H115911   5.186   5.943   5.607  2.7395 -1.8890 -0.6180
+ 4821TIP3    H215912   5.238   5.992   5.740  0.8657 -1.5354 -0.0094
+ 4822TIP3   OH215913   0.205   6.134   2.494 -0.3991  0.6926  0.5349
+ 4822TIP3    H115914   0.210   6.218   2.447 -1.2910  0.8694  0.7481
+ 4822TIP3    H215915   0.178   6.071   2.427 -1.0203  0.8212  0.6627
+ 4823TIP3   OH215916   6.453   5.874   2.692 -0.0104  0.8217  0.4793
+ 4823TIP3    H115917   6.478   5.938   2.760  0.1902  0.6629  0.5556
+ 4823TIP3    H215918   6.374   5.911   2.653  0.1347  1.1478  0.4865
+ 4824TIP3   OH215919   5.429   4.091   2.820  0.0239 -0.0052  0.7182
+ 4824TIP3    H115920   5.434   4.068   2.912  1.1663 -1.8114  0.2245
+ 4824TIP3    H215921   5.336   4.088   2.799 -0.3935  1.9374  2.1647
+ 4825TIP3   OH215922   5.836   6.725   2.033 -0.2398 -0.2077  0.0967
+ 4825TIP3    H115923   5.912   6.782   2.038 -0.3786 -0.1169  1.3531
+ 4825TIP3    H215924   5.787   6.757   1.958  1.0345 -0.3649 -0.8117
+ 4826TIP3   OH215925   6.293   6.751   2.699  0.1339  0.2138  0.4194
+ 4826TIP3    H115926   6.305   6.786   2.787 -0.7286 -0.1492  0.6815
+ 4826TIP3    H215927   6.382   6.738   2.667  0.4614 -0.5608  1.6010
+ 4827TIP3   OH215928   0.819   4.500   2.124  0.1904  0.5717 -0.1061
+ 4827TIP3    H115929   0.869   4.579   2.144 -0.0514  0.6513  0.1777
+ 4827TIP3    H215930   0.857   4.432   2.181 -1.0552  0.9927  1.2413
+ 4828TIP3   OH215931   0.417   3.198   2.722  0.0199 -0.2348  0.2581
+ 4828TIP3    H115932   0.397   3.279   2.675  0.4472  0.6193  1.5259
+ 4828TIP3    H215933   0.337   3.147   2.716  0.1975 -0.3229 -1.7461
+ 4829TIP3   OH215934   4.610   4.272   1.656 -0.0007  0.1558  0.5354
+ 4829TIP3    H115935   4.628   4.193   1.604  0.8018  2.0360 -2.1777
+ 4829TIP3    H215936   4.676   4.271   1.725  0.2875 -1.3119  0.2576
+ 4830TIP3   OH215937   6.492   3.628   2.095 -0.4848 -0.0857 -0.6422
+ 4830TIP3    H115938   6.424   3.682   2.056 -2.1122 -1.1958  0.5845
+ 4830TIP3    H215939   6.498   3.658   2.186 -0.5817 -1.1665 -0.2710
+ 4831TIP3   OH215940   0.516   4.461   2.198  0.0608  0.2757 -0.6365
+ 4831TIP3    H115941   0.579   4.518   2.154 -0.3544  0.4902 -0.9615
+ 4831TIP3    H215942   0.548   4.453   2.288  0.7252  0.1197 -0.8870
+ 4832TIP3   OH215943   3.406   5.771   2.780  0.0672  0.2723 -0.6924
+ 4832TIP3    H115944   3.471   5.700   2.780  1.3559  1.4306 -1.5329
+ 4832TIP3    H215945   3.363   5.764   2.865 -0.4897 -2.0996 -1.1318
+ 4833TIP3   OH215946   6.006   1.814   0.637 -0.5389  0.0378  0.2573
+ 4833TIP3    H115947   6.060   1.815   0.716  1.8716 -1.2416 -1.2761
+ 4833TIP3    H215948   6.024   1.898   0.595 -2.7144  1.2049  1.6063
+ 4834TIP3   OH215949   5.846   4.617   6.178  0.2870 -0.0197 -0.0048
+ 4834TIP3    H115950   5.888   4.543   6.221 -3.7531 -1.5871  1.5071
+ 4834TIP3    H215951   5.869   4.607   6.085  1.1856 -2.1998  0.4268
+ 4835TIP3   OH215952   5.882   5.628   4.215 -0.4876  0.3897  0.4381
+ 4835TIP3    H115953   5.903   5.554   4.272 -1.0637 -0.9469 -1.0448
+ 4835TIP3    H215954   5.798   5.605   4.176 -1.0733  2.2154  0.5510
+ 4836TIP3   OH215955   6.056   4.584   4.111  0.3569  0.3401  0.1397
+ 4836TIP3    H115956   6.148   4.599   4.133  0.6908 -2.1764  0.6443
+ 4836TIP3    H215957   6.007   4.616   4.187  0.9283  0.0496  0.6294
+ 4837TIP3   OH215958   6.134   3.902   5.903  0.4233 -0.3062 -0.2081
+ 4837TIP3    H115959   6.215   3.852   5.908  0.6889  0.0808 -0.6704
+ 4837TIP3    H215960   6.157   3.982   5.858  0.0236  0.3053  0.6631
+ 4838TIP3   OH215961   0.451   6.755   1.887 -0.0948 -0.5020  0.3575
+ 4838TIP3    H115962   0.426   6.701   1.812  0.3096  0.3213 -0.3768
+ 4838TIP3    H215963   0.541   6.782   1.868  0.2117 -0.7518  1.4094
+ 4839TIP3   OH215964   3.173   3.780   0.831  0.1199 -0.2410 -0.0168
+ 4839TIP3    H115965   3.181   3.875   0.817  0.8490 -0.4168 -0.7958
+ 4839TIP3    H215966   3.221   3.741   0.759 -1.7091 -1.2395 -0.7358
+ 4840TIP3   OH215967   6.894   0.811   5.407 -0.2662 -0.4663 -0.1449
+ 4840TIP3    H115968   6.931   0.726   5.383 -0.9931 -1.1125  1.0101
+ 4840TIP3    H215969   6.856   0.797   5.494  1.0215  1.4676  0.7428
+ 4841TIP3   OH215970   0.667   6.055   4.708 -0.3511 -0.3347 -0.5110
+ 4841TIP3    H115971   0.721   5.994   4.658 -1.4565 -0.2334 -1.8467
+ 4841TIP3    H215972   0.716   6.069   4.789  1.6738 -0.1626 -1.7263
+ 4842TIP3   OH215973   2.538   5.877   2.357 -0.1943 -0.0433  0.2290
+ 4842TIP3    H115974   2.518   5.970   2.366  0.3447  0.0961 -0.0456
+ 4842TIP3    H215975   2.461   5.840   2.315 -0.2889  0.3256  0.0810
+ 4843TIP3   OH215976   0.025   0.028   2.244 -0.0887 -0.0006  0.1319
+ 4843TIP3    H115977   0.107  -0.007   2.280  0.1620  0.4228 -0.0212
+ 4843TIP3    H215978   0.034   0.123   2.252 -1.3792 -0.0069  1.8678
+ 4844TIP3   OH215979   4.585   5.139   2.581 -0.6421  0.3185 -0.1821
+ 4844TIP3    H115980   4.554   5.082   2.651  0.1797 -1.4139 -1.1722
+ 4844TIP3    H215981   4.660   5.186   2.619 -0.0976 -0.7305  0.0711
+ 4845TIP3   OH215982   0.480   6.327   2.755 -0.3626  0.3049 -0.2587
+ 4845TIP3    H115983   0.544   6.395   2.778 -0.4656  0.8823 -1.6280
+ 4845TIP3    H215984   0.400   6.376   2.734 -0.8169 -0.3254 -0.0196
+ 4846TIP3   OH215985   1.967   5.379   2.871 -0.5385  0.5263  0.5648
+ 4846TIP3    H115986   1.947   5.287   2.885 -1.3307  0.2573 -2.0905
+ 4846TIP3    H215987   2.060   5.380   2.847 -0.5615  0.3975  0.4716
+ 4847TIP3   OH215988   6.099   6.445   4.055  0.2681 -0.4192 -0.2472
+ 4847TIP3    H115989   6.063   6.497   4.128  1.0616 -0.1435 -0.0514
+ 4847TIP3    H215990   6.027   6.388   4.030 -0.7087  0.9285 -0.6181
+ 4848TIP3   OH215991   1.502   1.948   2.510  0.4870 -0.0827  0.3462
+ 4848TIP3    H115992   1.556   1.918   2.584 -0.0273  0.5990  1.0089
+ 4848TIP3    H215993   1.557   1.933   2.433  0.9287 -1.0681  0.8310
+ 4849TIP3   OH215994   2.419   0.836   1.199 -0.0827  0.2840  0.3805
+ 4849TIP3    H115995   2.329   0.842   1.231 -0.4776  0.1899 -0.7061
+ 4849TIP3    H215996   2.440   0.925   1.171 -0.3626  0.0032 -0.7529
+ 4850TIP3   OH215997   6.404   5.504   2.834 -0.3134  0.1346  0.8208
+ 4850TIP3    H115998   6.428   5.412   2.818 -0.3336  0.3745 -0.6396
+ 4850TIP3    H215999   6.308   5.504   2.833 -0.3156  0.1606  0.9542
+ 4851TIP3   OH216000   0.552   5.950   2.982  0.0332  0.4356 -0.5912
+ 4851TIP3    H116001   0.622   5.974   2.921  1.4860 -3.2507 -0.5143
+ 4851TIP3    H216002   0.497   5.890   2.932 -1.7385  1.4210  0.1332
+ 4852TIP3   OH216003   6.569   0.551   3.458  0.1233  0.3083  0.4389
+ 4852TIP3    H116004   6.569   0.523   3.550 -1.9994  0.3705  0.4887
+ 4852TIP3    H216005   6.661   0.552   3.433  0.7455  0.5204  2.6439
+ 4853TIP3   OH216006   6.740   5.382   3.201 -0.5416  0.0847  0.6932
+ 4853TIP3    H116007   6.782   5.352   3.282 -1.3644 -1.4868  0.5647
+ 4853TIP3    H216008   6.812   5.410   3.145  0.2699 -1.5522  0.8912
+ 4854TIP3   OH216009   1.414   0.573   2.976 -0.3498  0.2246 -0.3345
+ 4854TIP3    H116010   1.464   0.614   3.046 -0.9092 -2.2447  1.5555
+ 4854TIP3    H216011   1.477   0.516   2.931  0.1342  2.1649 -2.2277
+ 4855TIP3   OH216012   0.290   4.721   3.908  0.4757 -0.2719 -0.2259
+ 4855TIP3    H116013   0.275   4.645   3.964  1.0394 -0.4500 -0.3171
+ 4855TIP3    H216014   0.203   4.749   3.882  0.2031 -0.1553  0.7911
+ 4856TIP3   OH216015   6.629   5.572   4.105  0.3901 -0.3855 -0.0892
+ 4856TIP3    H116016   6.540   5.571   4.141  0.6140 -0.2734  0.4737
+ 4856TIP3    H216017   6.670   5.649   4.144  1.8533 -2.3425  2.4504
+ 4857TIP3   OH216018   1.419   4.044   5.653 -0.1783  0.1343  0.3355
+ 4857TIP3    H116019   1.394   4.014   5.741 -0.8330 -1.8095 -0.4878
+ 4857TIP3    H216020   1.403   3.968   5.597  1.7394  0.8491 -1.2213
+ 4858TIP3   OH216021   0.533   5.402   3.984  0.0831  0.0087 -0.0039
+ 4858TIP3    H116022   0.585   5.338   4.032  0.1329  1.4658  1.9529
+ 4858TIP3    H216023   0.573   5.486   4.005  0.0922  0.7112 -2.6273
+ 4859TIP3   OH216024   2.283   2.814   2.067 -0.0283 -0.1360 -0.1029
+ 4859TIP3    H116025   2.354   2.750   2.075  0.0649  0.1490  1.4513
+ 4859TIP3    H216026   2.247   2.798   1.980  0.3100 -1.9776  0.0661
+ 4860TIP3   OH216027   1.364   0.301   2.535 -0.1535  0.4623 -0.8501
+ 4860TIP3    H116028   1.296   0.290   2.467 -2.5705 -1.4216  1.7200
+ 4860TIP3    H216029   1.396   0.212   2.550 -0.1339  0.7562  0.9225
+ 4861TIP3   OH216030   5.671   0.309   3.695  0.5487 -0.6907 -0.5319
+ 4861TIP3    H116031   5.668   0.337   3.603  2.8103  0.5860 -0.2711
+ 4861TIP3    H216032   5.612   0.369   3.740  0.5300 -0.3909 -0.9443
+ 4862TIP3   OH216033   0.864   1.052   1.725 -0.2824 -0.0814 -0.0367
+ 4862TIP3    H116034   0.843   1.110   1.651 -3.6744 -1.2114 -0.0509
+ 4862TIP3    H216035   0.872   1.111   1.800  0.9189  0.8341 -0.8541
+ 4863TIP3   OH216036   2.205   1.639   2.137 -0.6848 -0.4241 -0.6841
+ 4863TIP3    H116037   2.272   1.656   2.071  0.5216 -0.5921  0.4912
+ 4863TIP3    H216038   2.122   1.661   2.093  0.1862  0.5350 -1.8756
+ 4864TIP3   OH216039   1.177   6.150   5.741 -0.0667 -0.0945  0.0353
+ 4864TIP3    H116040   1.196   6.081   5.805 -2.1121  0.5468  1.4152
+ 4864TIP3    H216041   1.125   6.106   5.673 -3.1949  0.4202  1.9727
+ 4865TIP3   OH216042   0.930   1.060   5.174 -0.1944  0.0630 -0.0125
+ 4865TIP3    H116043   0.930   0.973   5.133 -1.1962  0.2368 -0.4090
+ 4865TIP3    H216044   1.009   1.061   5.228  0.5662 -0.5825 -1.0839
+ 4866TIP3   OH216045   0.710   6.209   3.582  0.4139  0.2076  0.1551
+ 4866TIP3    H116046   0.745   6.279   3.638  1.1168  0.2557 -0.3491
+ 4866TIP3    H216047   0.739   6.232   3.494  0.6848 -0.7491 -0.0076
+ 4867TIP3   OH216048   6.360   3.872   2.657 -0.6463 -0.6313  0.1925
+ 4867TIP3    H116049   6.412   3.908   2.729  0.3425 -0.3134 -0.6626
+ 4867TIP3    H216050   6.414   3.888   2.579 -1.3046 -1.7642 -0.4988
+ 4868TIP3   OH216051   0.181   4.438   3.732  0.0221  0.3559 -0.1940
+ 4868TIP3    H116052   0.125   4.379   3.781  1.0244  0.5266  1.1828
+ 4868TIP3    H216053   0.123   4.478   3.666 -0.6507 -2.1352 -1.1441
+ 4869TIP3   OH216054   6.045   4.406   3.503 -0.4504  0.4912 -0.1409
+ 4869TIP3    H116055   6.068   4.496   3.478 -1.4687  0.5808 -0.7565
+ 4869TIP3    H216056   6.058   4.354   3.424  0.0492  0.1113  0.1905
+ 4870TIP3   OH216057   5.783   5.339   5.667  0.1752  0.2885  0.4970
+ 4870TIP3    H116058   5.755   5.305   5.752 -1.5483 -1.7036 -0.7978
+ 4870TIP3    H216059   5.731   5.418   5.654 -1.8908 -1.1321 -0.0629
+ 4871TIP3   OH216060   1.783   6.091   2.361  0.6423 -0.5032  0.1000
+ 4871TIP3    H116061   1.753   6.127   2.277  1.7834 -0.8953 -0.4862
+ 4871TIP3    H216062   1.851   6.152   2.390 -0.0573 -0.1204  0.9735
+ 4872TIP3   OH216063   6.010   6.385   3.591  0.2211 -0.3530  0.2920
+ 4872TIP3    H116064   5.996   6.476   3.617 -1.4328 -0.5419  0.1088
+ 4872TIP3    H216065   6.010   6.387   3.495 -0.3020 -0.6171  0.2865
+ 4873TIP3   OH216066   6.333   4.268   3.885 -0.5663 -0.0286 -0.2617
+ 4873TIP3    H116067   6.316   4.363   3.886 -1.5225 -0.1799 -1.2399
+ 4873TIP3    H216068   6.410   4.257   3.941 -0.2378  1.3719 -0.4169
+ 4874TIP3   OH216069   1.391   6.414   3.432  0.1959 -0.3391 -0.0042
+ 4874TIP3    H116070   1.417   6.412   3.524 -0.4125 -2.8904  0.1535
+ 4874TIP3    H216071   1.310   6.363   3.429 -0.8915  1.4429 -1.6421
+ 4875TIP3   OH216072   2.258   6.146   3.832 -0.0534  0.0266  0.0848
+ 4875TIP3    H116073   2.265   6.084   3.904  0.0139  1.5984  1.4767
+ 4875TIP3    H216074   2.348   6.159   3.803  0.3666  2.2932  2.2882
+ 4876TIP3   OH216075   5.760   4.808   4.138  0.7419  0.5744  0.0144
+ 4876TIP3    H116076   5.732   4.890   4.096 -1.4099  0.3141  0.9043
+ 4876TIP3    H216077   5.820   4.768   4.075 -0.7211  1.2704 -1.8447
+ 4877TIP3   OH216078   6.566   6.731   5.529 -0.0432  0.6470 -0.1555
+ 4877TIP3    H116079   6.501   6.668   5.561 -2.2763  2.7915 -0.2600
+ 4877TIP3    H216080   6.631   6.735   5.599  0.8850 -2.7393 -0.7444
+ 4878TIP3   OH216081   6.737   6.024   4.649  0.1540 -0.0694  0.1574
+ 4878TIP3    H116082   6.727   6.117   4.626 -2.2654 -0.0111  1.2479
+ 4878TIP3    H216083   6.727   6.021   4.744  3.2625 -1.1229  0.4865
+ 4879TIP3   OH216084   0.184   1.849   1.715 -0.4064  0.7876 -0.4909
+ 4879TIP3    H116085   0.133   1.800   1.650  1.7701 -0.8856 -0.9820
+ 4879TIP3    H216086   0.267   1.868   1.672  0.5897  0.7684  1.3527
+ 4880TIP3   OH216087   1.479   6.438   3.691  0.0692  0.0861  0.0646
+ 4880TIP3    H116088   1.530   6.517   3.706 -0.1307  0.1888  0.1975
+ 4880TIP3    H216089   1.520   6.372   3.747  0.8074 -0.1426 -0.7294
+ 4881TIP3   OH216090   0.368   1.320   3.154  0.4723  0.2566  0.2408
+ 4881TIP3    H116091   0.339   1.258   3.087 -3.9490  0.3985  1.8052
+ 4881TIP3    H216092   0.334   1.404   3.124  0.9414  0.8057  1.2422
+ 4882TIP3   OH216093   1.999   5.663   4.228  0.4410 -0.0880  0.1353
+ 4882TIP3    H116094   2.048   5.691   4.151  2.3281  1.1728  1.7423
+ 4882TIP3    H216095   1.941   5.737   4.248 -0.1500 -0.4712 -0.1486
+ 4883TIP3   OH216096   6.380  -0.038   2.936 -0.0301 -0.3638  0.0554
+ 4883TIP3    H116097   6.316   0.009   2.990 -0.2577  0.5231 -0.9727
+ 4883TIP3    H216098   6.428   0.030   2.889 -0.9961 -1.1475 -2.1795
+ 4884TIP3   OH216099   5.698   5.806   1.441  0.4845 -0.4318 -0.6323
+ 4884TIP3    H116100   5.656   5.808   1.527 -1.5021  1.8535 -1.6098
+ 4884TIP3    H216101   5.755   5.883   1.441  2.9379 -2.1998 -0.2076
+ 4885TIP3   OH216102   5.207   1.019   2.209  0.1666  0.0581 -0.0362
+ 4885TIP3    H116103   5.246   1.073   2.140  1.8177 -0.0094  0.8096
+ 4885TIP3    H216104   5.258   1.041   2.287  0.8287 -2.6860  0.3453
+ 4886TIP3   OH216105   0.426   1.017   2.622 -0.6550  0.0239 -0.0677
+ 4886TIP3    H116106   0.469   1.098   2.596  0.5223 -0.1862  1.2014
+ 4886TIP3    H216107   0.487   0.948   2.595 -1.8575 -0.4854 -1.5582
+ 4887TIP3   OH216108   6.633   4.816   3.730 -0.2529  0.2469 -0.0989
+ 4887TIP3    H116109   6.727   4.823   3.715 -0.1385 -2.3419 -0.7850
+ 4887TIP3    H216110   6.602   4.755   3.663 -2.2736  0.3674  0.6781
+ 4888TIP3   OH216111   0.377   3.235   3.888 -0.4097 -0.6141 -0.0058
+ 4888TIP3    H116112   0.462   3.207   3.922 -0.3350 -0.8790 -0.4037
+ 4888TIP3    H216113   0.390   3.327   3.865 -0.0466 -0.8241 -0.6538
+ 4889TIP3   OH216114   6.355   4.770   1.012 -0.1176 -0.3113  0.4704
+ 4889TIP3    H116115   6.367   4.683   0.974 -1.7802 -0.9192  1.3168
+ 4889TIP3    H216116   6.311   4.820   0.943 -1.4794 -0.8840  0.9204
+ 4890TIP3   OH216117   2.418   4.979   3.989 -0.2378  0.3642  0.3017
+ 4890TIP3    H116118   2.343   5.027   3.951 -0.8354 -0.7941 -0.0091
+ 4890TIP3    H216119   2.383   4.940   4.069  0.3279  0.6723  0.7017
+ 4891TIP3   OH216120   0.050   5.919   6.645 -0.1532  0.2370  0.4248
+ 4891TIP3    H116121   0.075   5.961   6.727 -0.0378 -0.8104  0.9316
+ 4891TIP3    H216122   0.123   5.861   6.624 -0.2253  0.4307 -0.3689
+ 4892TIP3   OH216123   6.493   0.340   3.804  0.1362 -0.2450  0.4235
+ 4892TIP3    H116124   6.415   0.392   3.788 -0.1086 -0.1810  1.7878
+ 4892TIP3    H216125   6.493   0.275   3.733  0.4389  1.5735 -1.2616
+ 4893TIP3   OH216126   6.556   5.209   4.355  0.5965  0.2801  0.2330
+ 4893TIP3    H116127   6.608   5.140   4.313  0.6291  1.3765 -1.5947
+ 4893TIP3    H216128   6.509   5.250   4.283  0.0684  1.7356  1.3884
+ 4894TIP3   OH216129   6.085   4.712   1.628  0.4675 -0.2450  0.3163
+ 4894TIP3    H116130   6.059   4.772   1.698 -0.3604  0.8181 -0.8871
+ 4894TIP3    H216131   6.085   4.626   1.670  1.8624  0.6026  2.1153
+ 4895TIP3   OH216132   1.376   6.671   3.370  0.1210 -0.9464  0.4138
+ 4895TIP3    H116133   1.381   6.576   3.377 -0.8262 -1.0342 -0.0477
+ 4895TIP3    H216134   1.288   6.693   3.400  0.7231 -0.1075  1.5805
+ 4896TIP3   OH216135   5.392   4.776   2.264  0.1985 -0.1872 -0.1563
+ 4896TIP3    H116136   5.378   4.687   2.296 -2.5049  0.0401 -0.5608
+ 4896TIP3    H216137   5.306   4.817   2.271  0.6184  1.3279 -3.1512
+ 4897TIP3   OH216138   2.033   1.681   3.229  0.4718  0.7240 -0.1284
+ 4897TIP3    H116139   2.043   1.776   3.231 -0.3499  0.8734 -2.1747
+ 4897TIP3    H216140   2.121   1.649   3.208  0.3205  1.1632 -1.5042
+ 4898TIP3   OH216141   0.115   6.278   4.014 -0.1444 -0.6325 -0.5876
+ 4898TIP3    H116142   0.063   6.285   4.094  1.8989 -0.7519  0.7966
+ 4898TIP3    H216143   0.081   6.200   3.970  0.2191 -1.9247  1.3386
+ 4899TIP3   OH216144   0.704   0.124   4.892  0.4032  0.2903  0.4509
+ 4899TIP3    H116145   0.652   0.186   4.840 -0.0939  0.7154  1.4351
+ 4899TIP3    H216146   0.646   0.048   4.902  1.1453 -0.4765 -1.0497
+ 4900TIP3   OH216147   0.265   4.712   0.863 -0.3151  0.1484 -0.3605
+ 4900TIP3    H116148   0.209   4.790   0.855  1.0548  1.1219 -0.5377
+ 4900TIP3    H216149   0.210   4.649   0.909 -1.7924  0.8685 -1.0962
+ 4901TIP3   OH216150   1.114   0.571   3.174  0.0010  0.0847 -0.1367
+ 4901TIP3    H116151   1.177   0.637   3.202 -0.5986  0.2832  0.7860
+ 4901TIP3    H216152   1.118   0.572   3.078  1.0678  0.4050 -0.0859
+ 4902TIP3   OH216153   4.972   1.900   3.564 -0.3628  0.4971  0.1291
+ 4902TIP3    H116154   4.930   1.814   3.567 -0.4499  0.5422  0.1966
+ 4902TIP3    H216155   5.001   1.917   3.653  0.4446  0.1481 -0.0648
+ 4903TIP3   OH216156   1.546   6.415   4.512  0.2682 -0.0075 -0.2518
+ 4903TIP3    H116157   1.506   6.400   4.597 -0.6843  1.1129 -0.4731
+ 4903TIP3    H216158   1.569   6.328   4.480 -1.7856 -0.6886  0.0140
+ 4904TIP3   OH216159   1.790   5.153  -0.006  0.4774 -0.3851 -0.0590
+ 4904TIP3    H116160   1.763   5.243   0.009  1.8780 -0.0140  0.3091
+ 4904TIP3    H216161   1.866   5.140   0.051  2.2493 -0.7960 -2.4226
+ 4905TIP3   OH216162   2.107   0.865   3.777 -0.2122  0.0776 -0.2700
+ 4905TIP3    H116163   2.112   0.942   3.719  0.5360  0.6038  0.4749
+ 4905TIP3    H216164   2.128   0.900   3.863 -1.5659 -0.6590  0.3625
+ 4906TIP3   OH216165   1.035   1.332   3.208  0.1137  0.1835  0.5920
+ 4906TIP3    H116166   0.961   1.362   3.260 -0.2937 -0.7508  0.5538
+ 4906TIP3    H216167   1.108   1.327   3.270  0.6021  2.7384  0.2972
+ 4907TIP3   OH216168   5.998   6.165   3.238 -0.3287  0.1325 -0.0425
+ 4907TIP3    H116169   5.988   6.150   3.143  0.3305  1.6915 -0.3677
+ 4907TIP3    H216170   6.088   6.196   3.248 -0.8073  1.2205  0.9337
+ 4908TIP3   OH216171   6.684   5.962   1.898  0.3181 -0.6379 -0.0227
+ 4908TIP3    H116172   6.626   5.891   1.872 -2.7163  1.0593  1.7669
+ 4908TIP3    H216173   6.739   5.925   1.967 -0.4669 -1.5504  0.1188
+ 4909TIP3   OH216174   6.035   0.511   6.298  0.2923  0.4447  1.0097
+ 4909TIP3    H116175   6.117   0.546   6.333  0.0380 -0.1639  2.2502
+ 4909TIP3    H216176   5.975   0.512   6.372  0.1508 -2.1754  0.9924
+ 4910TIP3   OH216177   0.168   0.229   4.548  0.1120 -0.1595  0.4491
+ 4910TIP3    H116178   0.188   0.315   4.511 -1.2038  0.3404  0.8854
+ 4910TIP3    H216179   0.077   0.213   4.524  0.3759 -1.4941  0.2732
+ 4911TIP3   OH216180   0.576   6.133   4.074 -0.2741 -0.6921  0.4746
+ 4911TIP3    H116181   0.490   6.098   4.097 -0.3465 -1.0029 -0.2647
+ 4911TIP3    H216182   0.592   6.101   3.986 -0.8979  2.1411 -0.7322
+ 4912TIP3   OH216183   1.914   1.152   3.340 -0.1009  0.2573 -0.4554
+ 4912TIP3    H116184   1.838   1.204   3.315  0.0736  1.3451  1.2205
+ 4912TIP3    H216185   1.987   1.188   3.290 -0.1693  0.9942 -0.0220
+ 4913TIP3   OH216186   1.983   2.263   1.266 -0.4083 -0.2451  0.3659
+ 4913TIP3    H116187   1.932   2.198   1.217  1.8539 -1.8441  0.0946
+ 4913TIP3    H216188   2.045   2.212   1.318  0.1763  1.6244  1.5760
+ 4914TIP3   OH216189   6.635   6.237   3.597  0.5016  0.0485  0.2982
+ 4914TIP3    H116190   6.568   6.176   3.567  0.7286 -0.1531  0.2016
+ 4914TIP3    H216191   6.668   6.199   3.679  0.2837  0.3046  0.5055
+ 4915TIP3   OH216192   1.937   4.916   3.125 -0.4278  0.2871  0.3573
+ 4915TIP3    H116193   2.007   4.853   3.113 -0.4441  0.3642 -0.1449
+ 4915TIP3    H216194   1.962   4.966   3.203 -1.0258 -1.1560  1.4959
+ 4916TIP3   OH216195   0.924   6.483   3.964 -0.2102  0.2237  0.2010
+ 4916TIP3    H116196   1.017   6.468   3.979 -0.0905  0.2041 -0.5405
+ 4916TIP3    H216197   0.914   6.578   3.962  0.4970  0.3099 -3.7759
+ 4917TIP3   OH216198   6.110   1.103   3.016  0.5400 -0.0367  0.7662
+ 4917TIP3    H116199   6.055   1.126   3.091 -0.0024  0.9448  0.0745
+ 4917TIP3    H216200   6.142   1.015   3.036 -0.7068 -0.3262  1.5103
+ 4918TIP3   OH216201   1.093   6.196   2.106 -0.0126 -0.4500 -0.4720
+ 4918TIP3    H116202   1.156   6.261   2.075  1.1574  0.6672  3.8629
+ 4918TIP3    H216203   1.008   6.231   2.081  0.7983  0.9055 -1.3915
+ 4919TIP3   OH216204   1.637   1.355   3.120 -0.3746 -0.1143  0.4342
+ 4919TIP3    H116205   1.601   1.362   3.208 -0.9233  1.9059  0.0797
+ 4919TIP3    H216206   1.645   1.260   3.104  1.6164 -0.5004  3.3629
+ 4920TIP3   OH216207   1.203   6.436   3.735 -0.1705  0.4174 -0.3609
+ 4920TIP3    H116208   1.197   6.445   3.830 -0.2679 -1.0919 -0.2082
+ 4920TIP3    H216209   1.297   6.429   3.717 -0.2680 -1.9021 -0.0930
+ 4921TIP3   OH216210   5.651   6.368   3.893 -0.2579 -0.1222 -0.4746
+ 4921TIP3    H116211   5.572   6.316   3.909  0.1172 -0.8622 -0.9730
+ 4921TIP3    H216212   5.618   6.456   3.875 -0.9324 -0.2841 -0.0676
+ 4922TIP3   OH216213   6.338   0.665   4.878 -0.0068 -0.2936 -0.0490
+ 4922TIP3    H116214   6.408   0.609   4.911  0.5912  0.4675 -0.0338
+ 4922TIP3    H216215   6.349   0.748   4.924 -0.0058  0.3254 -1.1537
+ 4923TIP3   OH216216   5.649   5.937   4.128 -0.5053 -0.3010 -0.4548
+ 4923TIP3    H116217   5.743   5.939   4.109 -0.5673 -2.0920 -1.0555
+ 4923TIP3    H216218   5.641   5.976   4.215  0.5635  1.7628 -1.2498
+ 4924TIP3   OH216219   0.043   1.372   1.900  0.2913 -0.0357  0.3781
+ 4924TIP3    H116220  -0.006   1.303   1.855 -1.3455  0.7502  0.9246
+ 4924TIP3    H216221   0.021   1.452   1.854 -1.0373  0.7049  2.2405
+ 4925TIP3   OH216222   0.408   0.411   3.084  0.1262  0.2801  0.2781
+ 4925TIP3    H116223   0.349   0.484   3.066 -0.5480 -0.0523  1.0937
+ 4925TIP3    H216224   0.492   0.452   3.103  0.2199  0.7475 -1.0895
+ 4926TIP3   OH216225   1.043   2.389   0.780  0.2173  0.1592  0.0586
+ 4926TIP3    H116226   1.068   2.397   0.688 -0.1847 -0.8395 -0.1472
+ 4926TIP3    H216227   1.123   2.410   0.828  0.5349  0.2984 -0.5279
+ 4927TIP3   OH216228   0.193   6.630   4.793  0.2534  0.0061  0.2307
+ 4927TIP3    H116229   0.222   6.707   4.744 -0.3782 -0.4979 -0.9594
+ 4927TIP3    H216230   0.131   6.665   4.858  1.5184  0.7437  1.0691
+ 4928TIP3   OH216231   4.970   0.923   2.980 -0.3853  0.7686  0.3187
+ 4928TIP3    H116232   4.909   0.994   2.997  0.0266  1.6508 -1.6985
+ 4928TIP3    H216233   5.038   0.963   2.925  2.3173 -0.0296  2.9342
+ 4929TIP3   OH216234   6.307   6.663   5.181 -0.1703 -0.7098  0.1575
+ 4929TIP3    H116235   6.302   6.569   5.164 -0.9198 -0.8593  1.1834
+ 4929TIP3    H216236   6.346   6.699   5.101 -2.1567 -1.5872 -1.2852
+ 4930TIP3   OH216237   1.148   1.547   2.525 -0.2135  0.6810 -0.0809
+ 4930TIP3    H116238   1.164   1.455   2.544 -0.1934  0.7846  0.4133
+ 4930TIP3    H216239   1.094   1.547   2.447  2.6541  0.3162 -2.1481
+ 4931TIP3   OH216240   5.893   4.768   3.897  0.3081 -0.0522  0.2743
+ 4931TIP3    H116241   5.957   4.697   3.897 -0.2556 -0.5813 -1.2901
+ 4931TIP3    H216242   5.863   4.773   3.806 -0.5825  1.3487  0.6347
+ 4932TIP3   OH216243   6.729   6.041   4.122  0.9005  0.2111  0.2878
+ 4932TIP3    H116244   6.800   5.978   4.132  0.2298 -0.4583  0.8455
+ 4932TIP3    H216245   6.651   5.994   4.149  0.0373  0.5369 -1.5593
+ 4933TIP3   OH216246   6.527   5.611   2.351  0.0137 -0.1993  0.0878
+ 4933TIP3    H116247   6.519   5.699   2.313 -2.8392 -0.2094  0.5043
+ 4933TIP3    H216248   6.542   5.627   2.444  0.4378 -0.1543  0.0115
+ 4934TIP3   OH216249   5.036   6.452   3.649  0.0252  0.0421 -0.3076
+ 4934TIP3    H116250   5.055   6.399   3.727 -0.2438  0.6151  0.1496
+ 4934TIP3    H216251   4.998   6.391   3.587 -0.6640 -0.2178  0.3695
+ 4935TIP3   OH216252   6.396   6.225   3.789 -0.5975  0.4476  0.5479
+ 4935TIP3    H116253   6.437   6.146   3.756 -1.1444  0.4696 -0.1820
+ 4935TIP3    H216254   6.302   6.213   3.772 -0.7198  1.1098  0.7280
+ 4936TIP3   OH216255   2.123   1.983   0.637 -0.6977 -0.3270 -0.0985
+ 4936TIP3    H116256   2.049   1.927   0.660  0.0576 -2.0594 -1.8334
+ 4936TIP3    H216257   2.200   1.935   0.665 -0.1835  1.5121  1.7781
+ 4937TIP3   OH216258   0.039   5.103   4.020  0.2303 -0.2522  0.1214
+ 4937TIP3    H116259  -0.002   5.188   4.041  0.1175 -0.3453  0.2813
+ 4937TIP3    H216260   0.087   5.080   4.100  1.4494  0.3586 -0.4244
+ 4938TIP3   OH216261   0.224   6.330   2.301  0.6045 -0.0184 -0.3508
+ 4938TIP3    H116262   0.257   6.277   2.229 -1.1403  0.3501 -1.4237
+ 4938TIP3    H216263   0.282   6.407   2.302  0.2731  0.2590 -1.7364
+ 4939TIP3   OH216264   0.908   0.749   2.475  0.6983  0.6144 -0.9331
+ 4939TIP3    H116265   0.858   0.711   2.403  0.7065 -0.8016 -0.2034
+ 4939TIP3    H216266   0.977   0.686   2.493  0.4586  0.7659  0.5793
+ 4940TIP3   OH216267   4.100   6.095   4.984 -0.3704  0.0802  0.1799
+ 4940TIP3    H116268   4.019   6.068   4.942 -0.3731  1.3163 -0.6489
+ 4940TIP3    H216269   4.151   6.135   4.914  0.5257  0.2408  0.9111
+ 4941TIP3   OH216270   0.323   4.624   4.751 -0.1863  0.5532  0.0063
+ 4941TIP3    H116271   0.385   4.686   4.789  0.2648 -1.5527  2.8050
+ 4941TIP3    H216272   0.378   4.556   4.711 -0.6706 -0.4438  1.0168
+ 4942TIP3   OH216273   1.242   6.522   5.457  0.0233  0.0978  0.4979
+ 4942TIP3    H116274   1.312   6.501   5.396 -0.3222  0.1040  0.1000
+ 4942TIP3    H216275   1.285   6.566   5.530  0.3356  0.6908 -0.0508
+ 4943TIP3   OH216276   6.452   5.601   6.256  0.1696  0.2566 -0.9649
+ 4943TIP3    H116277   6.399   5.604   6.176 -1.4975  0.1099  0.1091
+ 4943TIP3    H216278   6.460   5.508   6.276 -0.8796  0.3523 -0.0328
+ 4944TIP3   OH216279   0.805   6.292   2.702 -0.0871 -0.2548  0.3856
+ 4944TIP3    H116280   0.873   6.351   2.669 -0.6579 -0.6992 -1.6217
+ 4944TIP3    H216281   0.750   6.273   2.626  0.4636 -3.9207  0.8086
+ 4945TIP3   OH216282   6.856   5.689   4.665 -0.1874 -0.1277 -0.2440
+ 4945TIP3    H116283   6.839   5.621   4.600 -2.3202  0.1437  0.0038
+ 4945TIP3    H216284   6.771   5.704   4.707  0.8720  0.6568  1.6746
+ 4946TIP3   OH216285   1.777   4.697   2.779 -0.2918  0.3973 -0.0812
+ 4946TIP3    H116286   1.872   4.690   2.787 -0.3094  1.4341  1.1817
+ 4946TIP3    H216287   1.764   4.735   2.692  0.5546  1.9646  0.4444
+ 4947TIP3   OH216288   5.612   4.522   5.799 -0.3412 -0.3467 -0.2849
+ 4947TIP3    H116289   5.604   4.562   5.886  1.5678 -1.2290  0.3144
+ 4947TIP3    H216290   5.570   4.437   5.808 -0.0803 -0.4676 -0.2016
+ 4948TIP3   OH216291   6.325   1.137   2.370 -0.5292  0.2903 -0.5761
+ 4948TIP3    H116292   6.392   1.197   2.337 -0.7782  0.6100 -0.4986
+ 4948TIP3    H216293   6.311   1.164   2.461 -1.2113  0.6168 -0.7797
+ 4949TIP3   OH216294   3.141   5.219   1.216 -0.7904 -0.5579 -0.0594
+ 4949TIP3    H116295   3.094   5.236   1.297 -1.2753 -0.5320 -0.3458
+ 4949TIP3    H216296   3.105   5.282   1.153  0.6661  0.4779  0.1105
+ 4950TIP3   OH216297   6.675   5.825   3.367  0.3684  0.2668  0.3072
+ 4950TIP3    H116298   6.595   5.774   3.356  0.2851  0.5436 -0.3485
+ 4950TIP3    H216299   6.745   5.763   3.346  0.2151  0.7579 -1.6841
+ 4951TIP3   OH216300   0.850   0.512   2.816  0.4012  0.1878 -0.2031
+ 4951TIP3    H116301   0.812   0.444   2.873 -0.0285 -0.1321 -0.8602
+ 4951TIP3    H216302   0.934   0.532   2.856  0.7256 -1.0557 -0.2359
+ 4952TIP3   OH216303   1.245   6.604   2.334 -0.2361  0.1318 -0.3571
+ 4952TIP3    H116304   1.246   6.626   2.428  2.7378  2.6702 -0.8774
+ 4952TIP3    H216305   1.197   6.676   2.293  0.6757  0.3517 -1.0452
+ 4953TIP3   OH216306   0.287   0.490   3.460 -0.2061 -0.3612 -0.4249
+ 4953TIP3    H116307   0.275   0.395   3.466  0.2937 -0.4705 -1.1337
+ 4953TIP3    H216308   0.292   0.519   3.551 -0.9296 -0.9424 -0.1927
+ 4954TIP3   OH216309   4.730   1.021   0.897 -0.1518 -0.0063 -0.0216
+ 4954TIP3    H116310   4.824   1.037   0.897  0.0422 -0.9544  2.7062
+ 4954TIP3    H216311   4.721   0.932   0.863 -0.1238  0.3202 -0.8946
+ 4955TIP3   OH216312   2.856   0.959   2.890  0.3465 -0.6537 -0.4047
+ 4955TIP3    H116313   2.890   0.875   2.859  1.0765 -0.2842 -0.6124
+ 4955TIP3    H216314   2.833   1.006   2.810 -2.4662 -1.6294 -0.2301
+ 4956TIP3   OH216315   1.952   5.193   4.106  0.1333 -0.7422 -0.4170
+ 4956TIP3    H116316   1.912   5.266   4.154  3.1642  0.0339  0.9980
+ 4956TIP3    H216317   2.023   5.163   4.162  0.2890 -3.4318 -1.9574
+ 4957TIP3   OH216318   1.267   1.652   4.183 -0.8480  0.1146  0.2250
+ 4957TIP3    H116319   1.342   1.639   4.241 -1.2052  0.3385  0.7445
+ 4957TIP3    H216320   1.206   1.705   4.235 -1.0041  0.6422 -0.5008
+ 4958TIP3   OH216321   5.958   5.586   1.982 -0.3613 -0.5176 -0.3585
+ 4958TIP3    H116322   5.939   5.532   2.059 -2.1631  0.2997 -0.2023
+ 4958TIP3    H216323   6.047   5.561   1.957 -0.7741 -2.8364  0.3055
+ 4959TIP3   OH216324   6.442   4.753   5.807  0.4332  0.5615 -0.3065
+ 4959TIP3    H116325   6.439   4.660   5.828 -2.0321  0.6678 -0.0753
+ 4959TIP3    H216326   6.471   4.795   5.888  1.7243  0.0170 -0.4617
+ 4960TIP3   OH216327   2.941   4.682   2.165  0.1938 -0.6894 -0.0162
+ 4960TIP3    H116328   2.880   4.611   2.186  0.1733 -0.7973 -0.4361
+ 4960TIP3    H216329   2.948   4.733   2.247 -1.4153  0.0430 -0.3124
+ 4961TIP3   OH216330   1.881   1.953   2.058  0.7068 -0.3610  0.0188
+ 4961TIP3    H116331   1.883   1.858   2.070  0.5146 -0.3086  0.5050
+ 4961TIP3    H216332   1.971   1.977   2.038  0.5947 -0.7550 -0.9655
+ 4962TIP3   OH216333   5.455   2.893   4.734  0.1671 -0.4118  0.4660
+ 4962TIP3    H116334   5.508   2.957   4.686  1.1537 -0.7633  1.0616
+ 4962TIP3    H216335   5.427   2.830   4.667 -0.5819  0.4859 -0.0736
+ 4963TIP3   OH216336   6.627   4.488   3.044 -0.3573 -0.0655 -0.8264
+ 4963TIP3    H116337   6.633   4.485   2.948  1.6412  0.8589 -0.7583
+ 4963TIP3    H216338   6.629   4.582   3.065 -1.8225 -0.2251  0.0823
+ 4964TIP3   OH216339   1.158   4.758   2.541 -0.0108 -0.0519  0.2449
+ 4964TIP3    H116340   1.189   4.837   2.497 -2.1575  1.0328  0.6134
+ 4964TIP3    H216341   1.172   4.776   2.634  2.3392 -1.3899  0.1934
+ 4965TIP3   OH216342   1.082   0.162   6.180  0.5322  0.2388  0.4251
+ 4965TIP3    H116343   1.147   0.091   6.177 -0.7089 -0.8920 -0.3338
+ 4965TIP3    H216344   1.039   0.157   6.094 -0.9248  0.6359  1.1347
+ 4966TIP3   OH216345   6.461   3.955   2.147 -0.0993  0.3509  0.3359
+ 4966TIP3    H116346   6.413   4.026   2.106 -1.2811  0.3630  1.7197
+ 4966TIP3    H216347   6.552   3.985   2.148 -0.4176  1.3375 -0.1160
+ 4967TIP3   OH216348   6.321   5.519   4.827  0.2486  0.7693 -0.5889
+ 4967TIP3    H116349   6.318   5.543   4.920 -1.9669  0.7632 -0.6437
+ 4967TIP3    H216350   6.375   5.440   4.825  0.8206  1.1101  0.6048
+ 4968TIP3   OH216351   0.772   6.151   3.243  0.3901  0.5309 -0.0729
+ 4968TIP3    H116352   0.772   6.068   3.291 -0.3050  0.7361  0.2961
+ 4968TIP3    H216353   0.684   6.158   3.207  0.8007  0.5609 -1.0726
+ 4969TIP3   OH216354   5.010   5.184   4.332  0.1776  0.5399  0.2431
+ 4969TIP3    H116355   4.944   5.151   4.271  0.3805 -1.7850  1.2533
+ 4969TIP3    H216356   5.081   5.214   4.275  0.1026 -1.0302 -0.7101
+ 4970TIP3   OH216357   6.432   4.166   1.919  0.0795 -0.1091 -0.3653
+ 4970TIP3    H116358   6.516   4.132   1.889  0.4827 -0.1542  0.8050
+ 4970TIP3    H216359   6.453   4.242   1.972 -0.4214 -1.5531  1.9966
+ 4971TIP3   OH216360   0.042   5.407   4.342  0.2535 -0.2004  0.3640
+ 4971TIP3    H116361   0.134   5.431   4.338  0.2557 -0.0462  1.3723
+ 4971TIP3    H216362   0.039   5.332   4.401 -0.2632 -0.2311  0.3031
+ 4972TIP3   OH216363   5.958   5.215   2.673 -0.5389  0.0207 -0.0131
+ 4972TIP3    H116364   5.906   5.272   2.730 -0.8950  0.4368 -0.7429
+ 4972TIP3    H216365   5.926   5.127   2.691  0.1185  0.0170  1.2332
+ 4973TIP3   OH216366   6.526   0.419   4.360  0.0704 -0.0225  1.0973
+ 4973TIP3    H116367   6.476   0.421   4.442 -0.5872 -0.4914  0.7074
+ 4973TIP3    H216368   6.585   0.344   4.369 -0.6006 -0.5924  0.7922
+ 4974TIP3   OH216369   0.571   4.684   0.877  0.0768  0.1015  0.1928
+ 4974TIP3    H116370   0.478   4.695   0.898  0.2838 -0.1407  1.2575
+ 4974TIP3    H216371   0.618   4.715   0.955  0.8318 -1.6382  0.4622
+ 4975TIP3   OH216372   0.295   5.261   4.078 -0.3832  0.2569  0.5717
+ 4975TIP3    H116373   0.322   5.196   4.143 -1.0621 -0.3794  0.2215
+ 4975TIP3    H216374   0.377   5.292   4.040  0.0391  0.7907  1.8676
+ 4976TIP3   OH216375   6.416   6.331   2.517 -0.7795  0.1577  0.1743
+ 4976TIP3    H116376   6.378   6.321   2.429 -0.8704  0.4713  0.1783
+ 4976TIP3    H216377   6.464   6.413   2.513  1.1353 -0.9577 -0.2729
+ 4977TIP3   OH216378   6.621   4.651   1.914 -0.5729 -0.0541 -0.2278
+ 4977TIP3    H116379   6.619   4.685   2.004 -0.6624  0.3229 -0.3703
+ 4977TIP3    H216380   6.713   4.655   1.888 -0.4215 -0.9530  0.1417
+ 4978TIP3   OH216381   2.087   5.812   4.988 -0.2640  0.5021  0.0426
+ 4978TIP3    H116382   2.053   5.876   4.925 -0.2697 -0.3148 -0.7864
+ 4978TIP3    H216383   2.012   5.791   5.044 -0.1245  1.6367  0.6888
+ 4979TIP3   OH216384   0.590   6.632   5.912  0.0258 -0.4268  0.2562
+ 4979TIP3    H116385   0.612   6.625   5.819  2.0271  1.0202  0.5904
+ 4979TIP3    H216386   0.494   6.637   5.914 -0.2219 -3.2691 -1.5035
+ 4980TIP3   OH216387   6.751   5.038   3.411  0.2732  0.0912  0.6197
+ 4980TIP3    H116388   6.664   5.078   3.407  0.9536  1.4012 -1.9283
+ 4980TIP3    H216389   6.797   5.088   3.478  0.3195  1.9962 -0.8087
+ 4981TIP3   OH216390   3.622   0.862   3.936 -0.3742  0.1041  0.0181
+ 4981TIP3    H116391   3.580   0.838   3.853  1.1158  0.9612 -1.0160
+ 4981TIP3    H216392   3.584   0.947   3.958 -0.9469 -0.2340  0.3499
+ 4982TIP3   OH216393   4.694   4.746   1.947 -0.4030  0.1366  0.3975
+ 4982TIP3    H116394   4.652   4.780   1.868 -0.1179  0.0067  0.1921
+ 4982TIP3    H216395   4.716   4.823   1.998 -3.0011  0.1618  1.5980
+ 4983TIP3   OH216396   1.538   4.607   5.502  0.0516 -0.6682 -0.1829
+ 4983TIP3    H116397   1.508   4.523   5.537 -0.3043 -0.6979 -0.5591
+ 4983TIP3    H216398   1.515   4.671   5.571 -1.1405 -0.6503 -0.5805
+ 4984TIP3   OH216399   5.287   6.398   0.641 -0.3992  0.2493 -0.4549
+ 4984TIP3    H116400   5.314   6.355   0.723 -0.5219  0.4481 -0.3093
+ 4984TIP3    H216401   5.192   6.401   0.646 -0.4783 -0.7974 -1.1457
+ 4985TIP3   OH216402   2.348   6.767   1.250 -0.1980  0.0639  0.0350
+ 4985TIP3    H116403   2.440   6.762   1.222 -0.1908 -2.9888  0.3595
+ 4985TIP3    H216404   2.353   6.783   1.344 -0.0224  0.8097 -0.0993
+ 4986TIP3   OH216405   1.256   5.854   2.730  0.0169  0.2263 -0.7790
+ 4986TIP3    H116406   1.218   5.927   2.680  1.6760  2.2554  0.7972
+ 4986TIP3    H216407   1.319   5.896   2.789  2.4577 -2.6975 -1.1776
+ 4987TIP3   OH216408   2.665   5.620   1.632 -0.2563 -0.3091 -0.0595
+ 4987TIP3    H116409   2.673   5.592   1.723  1.1427  1.1160  0.2617
+ 4987TIP3    H216410   2.725   5.562   1.584  0.0455 -0.1421  0.1177
+ 4988TIP3   OH216411   2.589   5.654   2.516 -0.0510  0.3275  0.3152
+ 4988TIP3    H116412   2.570   5.735   2.469 -2.8981  0.2003  1.1312
+ 4988TIP3    H216413   2.526   5.653   2.589  0.4837 -2.2027  0.7988
+ 4989TIP3   OH216414   3.589   4.969   4.772 -0.1464  0.0366  0.4516
+ 4989TIP3    H116415   3.652   5.041   4.767  0.3801 -0.5477 -1.5010
+ 4989TIP3    H216416   3.506   5.007   4.745 -0.5764  0.6916  2.5786
+ 4990TIP3   OH216417   1.645   4.789   2.202 -0.6619  0.5790  0.8112
+ 4990TIP3    H116418   1.690   4.719   2.250 -0.2850  1.2004  1.3748
+ 4990TIP3    H216419   1.606   4.745   2.126 -2.1520 -0.6163  2.2362
+ 4991TIP3   OH216420   4.736   6.710   4.379 -0.2472  0.0513 -0.0288
+ 4991TIP3    H116421   4.742   6.715   4.284 -4.1098 -0.0069 -0.3708
+ 4991TIP3    H216422   4.758   6.797   4.410  1.7749 -0.1302 -0.9048
+ 4992TIP3   OH216423   0.394   5.313   3.119 -0.4353 -0.1840  0.0877
+ 4992TIP3    H116424   0.458   5.287   3.185 -0.6878 -1.3965 -0.1477
+ 4992TIP3    H216425   0.438   5.381   3.067 -0.6181  1.6084  2.1885
+ 4993TIP3   OH216426   2.529   5.554   3.085  0.1482 -0.2703 -0.0090
+ 4993TIP3    H116427   2.519   5.533   3.178  1.0327 -1.0081 -0.0624
+ 4993TIP3    H216428   2.442   5.579   3.056 -0.5230 -1.8622  0.5862
+ 4994TIP3   OH216429   4.494   6.092   1.803 -0.3463 -0.0781  0.3074
+ 4994TIP3    H116430   4.495   6.176   1.758 -1.9976 -0.0439  0.3278
+ 4994TIP3    H216431   4.405   6.083   1.837 -0.2062 -1.8445  0.2759
+ 4995TIP3   OH216432   2.542   1.872   3.950 -0.5211 -0.4548  0.7485
+ 4995TIP3    H116433   2.559   1.850   3.859 -0.0373  0.0334  0.7221
+ 4995TIP3    H216434   2.501   1.958   3.948  1.7641  0.6860  1.1292
+ 4996TIP3   OH216435   3.863   6.881   1.965  0.0593  0.2970  0.0083
+ 4996TIP3    H116436   3.906   6.945   2.023  0.5884  0.1912 -0.2727
+ 4996TIP3    H216437   3.931   6.853   1.905 -0.3902  0.0879 -0.4032
+ 4997TIP3   OH216438   1.052   4.396   2.570 -0.1554 -0.7756 -0.3468
+ 4997TIP3    H116439   1.023   4.478   2.610  1.5448  0.2597 -1.1602
+ 4997TIP3    H216440   0.985   4.377   2.504 -0.3759  0.1607 -0.4057
+ 4998TIP3   OH216441   4.038   5.888   3.263  0.5477 -0.8919 -0.4016
+ 4998TIP3    H116442   4.020   5.853   3.176  1.4923 -0.7878 -0.6506
+ 4998TIP3    H216443   4.126   5.856   3.283  0.7373 -0.0686  0.0822
+ 4999TIP3   OH216444   3.496   5.036   1.339  0.4989  0.1583 -0.3304
+ 4999TIP3    H116445   3.445   4.957   1.354  1.3876 -0.7020 -1.6719
+ 4999TIP3    H216446   3.580   5.019   1.382  0.6508  0.4332 -0.5119
+ 5000TIP3   OH216447   1.457   5.781   6.819 -0.1806 -0.1341 -1.2025
+ 5000TIP3    H116448   1.530   5.720   6.830 -0.4992 -0.6682 -1.9737
+ 5000TIP3    H216449   1.404   5.742   6.749 -0.3222  1.0937 -1.7948
+ 5001TIP3   OH216450   4.741   5.419   3.468 -0.4347 -0.2810  0.3677
+ 5001TIP3    H116451   4.780   5.440   3.553  0.6528  1.7829 -0.6136
+ 5001TIP3    H216452   4.662   5.472   3.465  0.9609  1.7987 -1.0253
+ 5002TIP3   OH216453   3.430   0.521   3.176  0.7076  0.1036 -0.0299
+ 5002TIP3    H116454   3.512   0.556   3.142  1.5284 -1.3589  0.4073
+ 5002TIP3    H216455   3.412   0.573   3.255  3.3194 -2.1641  2.1401
+ 5003TIP3   OH216456   1.152   5.679   0.847 -0.4773 -0.0544  0.2315
+ 5003TIP3    H116457   1.173   5.728   0.768  0.4879  1.0336  1.1491
+ 5003TIP3    H216458   1.113   5.597   0.815 -0.5200  0.5724 -1.3405
+ 5004TIP3   OH216459   0.620   4.716   5.041 -0.2456  0.1252  0.2200
+ 5004TIP3    H116460   0.670   4.656   4.985  0.3876  1.4363 -0.6547
+ 5004TIP3    H216461   0.536   4.725   4.996  0.3007  1.2634 -0.6408
+ 5005TIP3   OH216462   2.042   5.422   1.975  0.5638  0.5137  0.3317
+ 5005TIP3    H116463   1.973   5.486   1.995  0.5286  0.5514  0.1000
+ 5005TIP3    H216464   2.024   5.348   2.032  0.6813  0.7656  0.6950
+ 5006TIP3   OH216465   3.671   1.733   0.446 -0.0704  0.3485  0.1748
+ 5006TIP3    H116466   3.621   1.671   0.500  0.4575  0.9094  1.3232
+ 5006TIP3    H216467   3.688   1.685   0.365  0.5008 -1.0838  1.1184
+ 5007TIP3   OH216468   4.436   3.174   1.980 -0.4663 -0.6707 -0.9384
+ 5007TIP3    H116469   4.391   3.091   1.966  0.9249 -1.4153 -1.1456
+ 5007TIP3    H216470   4.529   3.150   1.986 -0.1384  0.7544 -0.0242
+ 5008TIP3   OH216471   1.732   0.330   1.734 -0.2825 -0.0657 -0.1366
+ 5008TIP3    H116472   1.762   0.333   1.825 -2.3199  1.8291  0.5263
+ 5008TIP3    H216473   1.806   0.364   1.683  0.0324  1.1140  1.0784
+ 5009TIP3   OH216474   4.524   5.330   2.228  0.6670  0.3029 -0.0618
+ 5009TIP3    H116475   4.530   5.242   2.264 -1.0335 -0.3026 -1.2000
+ 5009TIP3    H216476   4.584   5.330   2.154  0.3237 -0.0379 -0.3398
+ 5010TIP3   OH216477   0.799   1.679   2.798 -0.2855 -0.0090  0.1208
+ 5010TIP3    H116478   0.811   1.662   2.891 -0.0511  0.7056  0.2286
+ 5010TIP3    H216479   0.818   1.596   2.755  0.8725 -0.0067  0.6091
+ 5011TIP3   OH216480   1.191   1.056   5.235  0.0694 -0.0516 -0.0956
+ 5011TIP3    H116481   1.192   1.100   5.151 -1.5788  0.1160 -0.0516
+ 5011TIP3    H216482   1.229   1.119   5.296  0.5221  0.1317 -0.5642
+ 5012TIP3   OH216483   3.615   0.288   5.228 -0.8334 -0.9509 -0.4388
+ 5012TIP3    H116484   3.594   0.347   5.156  0.3215 -0.8023 -0.6655
+ 5012TIP3    H216485   3.661   0.215   5.187 -0.6066 -1.1038  0.0772
+ 5013TIP3   OH216486   3.250   5.953   3.872  0.3250 -0.0983  0.2153
+ 5013TIP3    H116487   3.284   5.924   3.957  1.2321 -1.1253 -0.4843
+ 5013TIP3    H216488   3.215   6.041   3.889  0.5438 -0.2711  1.6340
+ 5014TIP3   OH216489   2.750   4.728   2.619  0.0184 -1.2682  0.2035
+ 5014TIP3    H116490   2.805   4.731   2.697  0.3160 -2.8310  0.0740
+ 5014TIP3    H216491   2.684   4.661   2.638 -0.1015 -1.4426 -0.7578
+ 5015TIP3   OH216492   2.785   6.311   0.822 -0.4727  0.1708  0.0553
+ 5015TIP3    H116493   2.787   6.301   0.727 -1.4933  1.8243 -0.1628
+ 5015TIP3    H216494   2.718   6.377   0.838 -0.0588  0.1813  1.9103
+ 5016TIP3   OH216495   0.887   4.502   3.189 -0.6508 -0.0018 -0.0944
+ 5016TIP3    H116496   0.956   4.545   3.241  1.5270 -1.9426 -1.2522
+ 5016TIP3    H216497   0.877   4.556   3.112  0.5115 -0.3495 -0.5065
+ 5017TIP3   OH216498   1.946   4.948   3.819 -0.2476 -0.2004  0.4384
+ 5017TIP3    H116499   1.961   5.038   3.790 -2.6865 -0.2892 -1.2082
+ 5017TIP3    H216500   1.959   4.895   3.741 -0.6865 -1.1030  0.9697
+ 5018TIP3   OH216501   6.222   4.533   2.493  0.5123  0.2094  0.3614
+ 5018TIP3    H116502   6.223   4.518   2.588  0.6712  1.4836  0.5639
+ 5018TIP3    H216503   6.252   4.623   2.483  3.2276 -0.7878 -1.0824
+ 5019TIP3   OH216504   4.214   0.131   2.356 -0.1801 -0.3663 -0.0718
+ 5019TIP3    H116505   4.280   0.076   2.313 -1.4117 -2.2205  0.3594
+ 5019TIP3    H216506   4.263   0.207   2.388  1.8102 -1.8595  0.5007
+ 5020TIP3   OH216507   3.815   0.852   5.306  0.2292 -0.0521 -0.0829
+ 5020TIP3    H116508   3.843   0.864   5.397 -1.6548 -0.1237  0.5209
+ 5020TIP3    H216509   3.721   0.838   5.311  0.4143 -2.2425 -1.8609
+ 5021TIP3   OH216510   2.504   1.189   2.667 -0.1163 -0.5512  0.9171
+ 5021TIP3    H116511   2.454   1.256   2.712  0.4075  0.0347  0.6373
+ 5021TIP3    H216512   2.461   1.179   2.582 -0.4345 -0.8613  1.1118
+ 5022TIP3   OH216513   0.124   5.934   2.292  0.3393 -0.2739  0.6756
+ 5022TIP3    H116514   0.172   5.889   2.362  0.8204 -0.4200  0.2575
+ 5022TIP3    H216515   0.037   5.894   2.292  0.8423 -1.3722  0.1417
+ 5023TIP3   OH216516   3.619   6.621   3.106  0.0197 -0.1757 -0.5334
+ 5023TIP3    H116517   3.567   6.541   3.113  0.1426 -0.2298 -0.2365
+ 5023TIP3    H216518   3.635   6.631   3.012  2.1780 -1.8880 -0.3914
+ 5024TIP3   OH216519   1.612   5.256   2.951 -0.1831  0.5425 -0.1343
+ 5024TIP3    H116520   1.655   5.341   2.961 -1.7638  1.5209 -1.3765
+ 5024TIP3    H216521   1.538   5.260   3.011 -1.0522  0.6002 -1.1899
+ 5025TIP3   OH216522   0.721   6.388   2.174  0.3087 -0.2071  0.2770
+ 5025TIP3    H116523   0.714   6.295   2.150 -0.7144 -0.2976  0.8706
+ 5025TIP3    H216524   0.642   6.405   2.226  0.7058  0.8888  0.5358
+ 5026TIP3   OH216525   5.768   6.490   3.072  0.5232 -0.0793  0.2215
+ 5026TIP3    H116526   5.732   6.549   3.138 -0.2073  0.5020 -0.6906
+ 5026TIP3    H216527   5.694   6.471   3.014  1.5693  0.7923 -1.4251
+ 5027TIP3   OH216528   2.356   1.358   2.802  0.5733 -0.7387  0.2222
+ 5027TIP3    H116529   2.325   1.443   2.835  1.4227 -0.0705 -0.6638
+ 5027TIP3    H216530   2.276   1.313   2.775  0.2970  0.9164 -1.8971
+ 5028TIP3   OH216531   1.170   0.301   3.186  0.2244 -0.3210  0.1027
+ 5028TIP3    H116532   1.254   0.279   3.146  0.8084  0.3844  0.9142
+ 5028TIP3    H216533   1.165   0.397   3.180  0.5837 -0.1413  2.1690
+ 5029TIP3   OH216534   1.480   1.067   5.635 -0.0825 -0.4386 -0.2503
+ 5029TIP3    H116535   1.475   1.036   5.545  1.5857 -1.1364 -0.1254
+ 5029TIP3    H216536   1.573   1.059   5.658 -0.0056  2.3745  0.6096
+ 5030TIP3   OH216537   4.104   5.538   4.582  0.2477  0.0876 -0.5746
+ 5030TIP3    H116538   4.103   5.471   4.651 -0.5812  0.0190 -0.6524
+ 5030TIP3    H216539   4.057   5.498   4.510 -1.1744  1.1549 -0.2539
+ 5031TIP3   OH216540   1.707   2.472   2.118  0.1449  0.1175  0.2217
+ 5031TIP3    H116541   1.629   2.417   2.123 -1.0157  1.5473 -1.3416
+ 5031TIP3    H216542   1.750   2.461   2.203 -1.3075 -1.3518  0.7890
+ 5032TIP3   OH216543   2.691   5.015   2.902 -0.2441  0.4197  0.1109
+ 5032TIP3    H116544   2.760   4.951   2.885 -2.2090 -1.6164 -0.2856
+ 5032TIP3    H216545   2.634   5.010   2.826 -1.0421  1.8441  0.5985
+ 5033TIP3   OH216546   2.212   0.948   1.369 -0.4522 -0.0509  0.1999
+ 5033TIP3    H116547   2.254   1.034   1.374 -1.0199  0.4136 -2.3373
+ 5033TIP3    H216548   2.119   0.966   1.371 -0.6103 -0.4332 -2.0427
+ 5034TIP3   OH216549   2.290   5.559   2.024 -0.0826  0.3589  0.4707
+ 5034TIP3    H116550   2.266   5.471   1.996  2.2342  0.1003 -0.8746
+ 5034TIP3    H216551   2.269   5.614   1.948  0.2767  0.6537  0.5875
+ 5035TIP3   OH216552   3.318   6.242   2.517 -0.3575  0.1690  0.0822
+ 5035TIP3    H116553   3.265   6.269   2.592 -0.6081 -2.8938  1.0582
+ 5035TIP3    H216554   3.330   6.148   2.528  3.0656  0.3309 -1.5411
+ 5036TIP3   OH216555   1.357   0.314   3.805 -0.3663  0.1103 -0.4765
+ 5036TIP3    H116556   1.344   0.407   3.824 -0.2211 -0.2771  1.6779
+ 5036TIP3    H216557   1.374   0.311   3.711 -1.5631  2.1314 -0.7963
+ 5037TIP3   OH216558   3.367   5.969   2.566 -0.6920  0.1187  0.4488
+ 5037TIP3    H116559   3.345   5.931   2.481  0.8495 -0.6436  0.3714
+ 5037TIP3    H216560   3.373   5.894   2.625 -2.4899  0.7079  1.4278
+ 5038TIP3   OH216561   0.202   6.243   3.038  0.2884 -0.8279 -0.0042
+ 5038TIP3    H116562   0.209   6.151   3.066  1.8680 -0.3460  1.2576
+ 5038TIP3    H216563   0.226   6.241   2.946 -0.4244 -1.7807 -0.1883
+ 5039TIP3   OH216564   4.336   5.710   2.511  0.3737  0.0222  0.8548
+ 5039TIP3    H116565   4.279   5.666   2.575 -2.5839 -0.1385 -1.7700
+ 5039TIP3    H216566   4.397   5.643   2.482 -0.0271 -0.6294  1.5019
+ 5040TIP3   OH216567   5.011   5.908   2.719  0.1674 -0.1679 -0.5075
+ 5040TIP3    H116568   4.991   5.980   2.659 -0.1527 -0.8038 -1.1717
+ 5040TIP3    H216569   4.993   5.943   2.806 -1.8969 -0.0780 -0.9567
+ 5041TIP3   OH216570  -0.023   2.072   2.244 -0.2589 -0.2262  0.0433
+ 5041TIP3    H116571   0.027   2.147   2.211 -0.5031  0.0733  0.3509
+ 5041TIP3    H216572   0.042   2.017   2.287  0.1129 -0.7541 -1.1454
+ 5042TIP3   OH216573   2.786   5.636   4.106  0.3607 -0.7012 -0.0706
+ 5042TIP3    H116574   2.705   5.595   4.136 -0.3792 -0.8080 -2.0999
+ 5042TIP3    H216575   2.757   5.709   4.051  1.6362 -0.9231 -1.0648
+ 5043TIP3   OH216576   4.114   0.948   3.555 -0.2487 -0.2250 -0.4532
+ 5043TIP3    H116577   4.159   0.886   3.498 -1.1579 -1.3852  0.0880
+ 5043TIP3    H216578   4.172   1.025   3.557  1.3480 -1.4040 -0.3694
+ 5044TIP3   OH216579   2.999   4.441   2.367  0.1541  0.0586 -0.7188
+ 5044TIP3    H116580   3.041   4.366   2.324  1.2473  0.4861 -0.4306
+ 5044TIP3    H216581   3.070   4.506   2.375 -0.5766  0.8051 -0.2246
+ 5045TIP3   OH216582   4.468   1.466   3.377 -0.0448  0.1678  0.1222
+ 5045TIP3    H116583   4.434   1.429   3.459  0.1168  0.3441  0.2699
+ 5045TIP3    H216584   4.545   1.515   3.404  0.0065  0.2275 -0.1378
+ 5046TIP3   OH216585   1.977   6.359   5.187  0.4009  0.3217 -0.1717
+ 5046TIP3    H116586   2.001   6.316   5.105 -0.0430  0.9181 -0.6186
+ 5046TIP3    H216587   1.983   6.290   5.253 -0.9366 -0.6085 -0.9859
+ 5047TIP3   OH216588   1.076   5.578   1.134 -0.3244 -0.6531 -0.1349
+ 5047TIP3    H116589   1.091   5.660   1.086  1.3797 -0.6857  0.3129
+ 5047TIP3    H216590   0.986   5.585   1.164 -0.9782  0.0075 -2.1243
+ 5048TIP3   OH216591   1.693   5.824   2.236  0.5374  0.2985 -0.5889
+ 5048TIP3    H116592   1.736   5.794   2.316  0.9500  1.6323 -0.3028
+ 5048TIP3    H216593   1.717   5.916   2.229 -1.6555  0.8868 -0.8199
+ 5049TIP3   OH216594   0.395   2.241   0.970 -0.1647  0.0569 -0.3526
+ 5049TIP3    H116595   0.390   2.336   0.957  0.2937  0.3530  1.4306
+ 5049TIP3    H216596   0.391   2.204   0.882  2.4531  1.8694 -1.2850
+ 5050TIP3   OH216597   4.464   5.543   3.190 -0.1312 -0.0969  0.0619
+ 5050TIP3    H116598   4.397   5.507   3.131  0.1058  1.3602 -1.0975
+ 5050TIP3    H216599   4.528   5.584   3.133  1.4464 -0.8944  1.2084
+ 5051TIP3   OH216600   3.656   0.060   0.065 -0.0586  0.1889 -0.4491
+ 5051TIP3    H116601   3.657  -0.002  -0.008 -1.2917 -0.0734 -0.2613
+ 5051TIP3    H216602   3.681   0.143   0.025 -0.6457  0.0291 -1.1764
+ 5052TIP3   OH216603   1.384   6.246   1.480  0.5912 -0.2245  0.0133
+ 5052TIP3    H116604   1.474   6.239   1.512  0.5474  1.9475  0.6888
+ 5052TIP3    H216605   1.333   6.269   1.558 -0.1830  0.8906 -0.8157
+ 5053TIP3   OH216606   2.361   6.673   3.575 -0.7626  0.2322  0.1716
+ 5053TIP3    H116607   2.284   6.655   3.629 -1.8940  0.3274 -1.3467
+ 5053TIP3    H216608   2.326   6.681   3.486  1.0923 -0.3102 -0.6369
+ 5054TIP3   OH216609   2.842   5.816   3.125 -0.1988  0.3406  0.0585
+ 5054TIP3    H116610   2.780   5.822   3.052 -2.9078 -1.5691  2.1056
+ 5054TIP3    H216611   2.795   5.852   3.200  2.0195  0.9375  1.2049
+ 5055TIP3   OH216612   3.558   5.725   4.011  0.0007  1.0106 -0.2314
+ 5055TIP3    H116613   3.509   5.670   3.950 -1.3470  1.0000  0.8379
+ 5055TIP3    H216614   3.508   5.807   4.015  0.5839  1.3476  0.1533
+ 5056TIP3   OH216615   2.010   5.215   5.151 -0.5142  0.1794  0.0975
+ 5056TIP3    H116616   2.052   5.294   5.185 -1.0369  0.3710  0.2946
+ 5056TIP3    H216617   1.919   5.240   5.136 -0.6835 -0.3879  0.1710
+ 5057TIP3   OH216618   2.882   6.073   3.903 -0.4721  0.1223 -0.1621
+ 5057TIP3    H116619   2.975   6.073   3.922 -0.6799 -2.1510  0.9533
+ 5057TIP3    H216620   2.856   6.165   3.912  1.5865  0.7392 -0.2654
+ 5058TIP3   OH216621   1.606   0.760   3.053 -0.0881 -0.3755 -0.0692
+ 5058TIP3    H116622   1.606   0.818   2.977  2.2912  1.2386  1.1228
+ 5058TIP3    H216623   1.698   0.739   3.067 -0.7731 -3.1821  0.4966
+ 5059TIP3   OH216624   4.505   1.067   2.178  0.1950 -0.0019 -0.1782
+ 5059TIP3    H116625   4.423   1.109   2.152  0.4597 -0.0735 -1.1391
+ 5059TIP3    H216626   4.509   0.987   2.126  1.9238  1.0823 -1.7761
+ 5060TIP3   OH216627   1.124   5.287   1.555  0.4499  0.8083 -0.5263
+ 5060TIP3    H116628   1.173   5.280   1.473 -1.4495  0.9082 -1.6933
+ 5060TIP3    H216629   1.087   5.375   1.553  0.1244  0.6890  0.2687
+ 5061TIP3   OH216630   3.938   5.150   1.163 -0.1870  0.2168 -0.2990
+ 5061TIP3    H116631   4.029   5.148   1.192 -0.9009  0.3780  2.0542
+ 5061TIP3    H216632   3.893   5.200   1.231 -1.9870  0.3438 -1.5724
+ 5062TIP3   OH216633   2.315   6.683   3.274 -0.1456 -0.0791 -0.4434
+ 5062TIP3    H116634   2.411   6.683   3.270 -0.1919  0.8976 -2.3243
+ 5062TIP3    H216635   2.292   6.776   3.276 -1.1042 -0.2816 -1.9327
+ 5063TIP3   OH216636   0.046   0.349   5.139  0.1681 -0.6140  0.0180
+ 5063TIP3    H116637  -0.048   0.358   5.156  0.2853 -0.7978  0.7867
+ 5063TIP3    H216638   0.086   0.353   5.225  0.8747 -0.4959 -0.3143
+ 5064TIP3   OH216639   2.234   0.581   2.361  0.5679 -0.1170 -0.6682
+ 5064TIP3    H116640   2.202   0.670   2.372  0.8163  0.3004 -2.9701
+ 5064TIP3    H216641   2.161   0.525   2.387  0.4217  0.7448  0.8196
+ 5065TIP3   OH216642   1.323   6.307   4.188  0.1335  0.4482  0.1609
+ 5065TIP3    H116643   1.235   6.269   4.189  0.4033 -0.2913 -2.0238
+ 5065TIP3    H216644   1.382   6.233   4.202  0.5686  0.2623 -2.3216
+ 5066TIP3   OH216645   3.114   6.605   3.990 -0.2238 -0.0441  0.4662
+ 5066TIP3    H116646   3.118   6.580   3.898 -1.3797  0.1826  0.3475
+ 5066TIP3    H216647   3.102   6.700   3.988 -1.4467 -0.1875  0.8325
+ 5067TIP3   OH216648   2.003   6.106   3.453  0.5355 -0.0427  0.3970
+ 5067TIP3    H116649   2.089   6.117   3.412 -0.1945  0.1936 -1.1237
+ 5067TIP3    H216650   1.959   6.190   3.439  0.5147  0.2969  2.3154
+ 5068TIP3   OH216651   1.793   6.799   2.481 -0.2208 -0.5492  0.3872
+ 5068TIP3    H116652   1.720   6.745   2.450  0.1622  0.4692 -2.4873
+ 5068TIP3    H216653   1.871   6.756   2.445  0.3526  0.0363  0.9140
+ 5069TIP3   OH216654   1.145   0.564   2.489 -0.0219 -0.2780  0.0727
+ 5069TIP3    H116655   1.219   0.563   2.551  0.0196 -1.2819  0.0153
+ 5069TIP3    H216656   1.185   0.546   2.404 -0.0703  1.1632 -0.2728
+ 5070TIP3   OH216657   1.777   2.511   1.658 -0.2935  0.2057 -0.1261
+ 5070TIP3    H116658   1.767   2.452   1.584 -0.1355 -1.0534  0.8359
+ 5070TIP3    H216659   1.847   2.571   1.631  1.3207 -1.6257 -0.1385
+ 5071TIP3   OH216660   4.249   0.404   3.664 -0.4163  0.0257 -0.3054
+ 5071TIP3    H116661   4.257   0.330   3.723  0.0066 -1.3081 -1.9955
+ 5071TIP3    H216662   4.227   0.478   3.720  1.2550 -0.9338  1.6775
+ 5072TIP3   OH216663   3.343   6.708   0.573 -0.0235  0.0859 -0.1688
+ 5072TIP3    H116664   3.393   6.771   0.626  2.2342 -2.3374  0.6777
+ 5072TIP3    H216665   3.281   6.669   0.634 -0.5605  0.5574 -0.4051
+ 5073TIP3   OH216666   3.288   5.988   4.366 -0.1591 -0.5588  0.0131
+ 5073TIP3    H116667   3.290   5.915   4.428 -0.7366  0.5769  1.3935
+ 5073TIP3    H216668   3.281   6.066   4.420 -1.0591  0.4477 -1.4973
+ 5074TIP3   OH216669   3.798   6.403   1.390  0.0977  0.8747  0.0341
+ 5074TIP3    H116670   3.716   6.368   1.425  0.7990 -1.6331 -0.7302
+ 5074TIP3    H216671   3.864   6.377   1.454  0.9180 -0.9450 -1.5131
+ 5075TIP3   OH216672   3.176   4.642   1.734  0.3024 -0.2690 -0.2559
+ 5075TIP3    H116673   3.185   4.698   1.811  0.7281 -0.1161 -0.4173
+ 5075TIP3    H216674   3.084   4.650   1.709  0.2359 -0.0738  0.0504
+ 5076TIP3   OH216675   4.862   6.573   3.829  0.1227  0.1632  0.5947
+ 5076TIP3    H116676   4.839   6.488   3.867  2.4755 -0.8830 -0.1845
+ 5076TIP3    H216677   4.917   6.552   3.754  0.6715  2.3813  0.3249
+ 5077TIP3   OH216678   2.843   5.921   3.663  0.3110  0.0206 -0.0156
+ 5077TIP3    H116679   2.819   6.003   3.621  1.7860 -0.1535 -1.2606
+ 5077TIP3    H216680   2.856   5.944   3.755 -1.4762  0.7080  0.0714
+ 5078TIP3   OH216681   0.188   6.761   5.455 -0.2348  0.1687 -0.0989
+ 5078TIP3    H116682   0.151   6.759   5.544  0.7151 -0.6527  0.2886
+ 5078TIP3    H216683   0.277   6.794   5.467 -0.4288  1.0030 -0.8828
+ 5079TIP3   OH216684   6.443   6.737   3.175 -0.0301  0.1413  0.0088
+ 5079TIP3    H116685   6.465   6.751   3.083 -0.0063  1.4608  0.2126
+ 5079TIP3    H216686   6.354   6.702   3.174  0.7466 -1.8850 -0.6255
+ 5080TIP3   OH216687   2.044   4.076   5.860  0.0763  0.1367  0.1671
+ 5080TIP3    H116688   2.046   4.141   5.930  1.1475  1.3418 -0.9572
+ 5080TIP3    H216689   2.132   4.037   5.861  0.0566  0.0756 -0.4174
+ 5081TIP3   OH216690   3.283   5.778   2.383 -0.2001  0.0377 -0.0300
+ 5081TIP3    H116691   3.253   5.717   2.451 -0.5530 -0.3407 -0.5196
+ 5081TIP3    H216692   3.317   5.721   2.314 -4.1050  0.2142 -2.2007
+ 5082TIP3   OH216693   4.157   4.990   3.785  0.1080 -0.0778 -0.1299
+ 5082TIP3    H116694   4.097   4.943   3.843  0.2192 -1.5011 -1.1395
+ 5082TIP3    H216695   4.230   5.016   3.842 -0.7668  0.3845  0.7946
+ 5083TIP3   OH216696   2.775   6.222   2.511 -0.6163  0.0013  0.5106
+ 5083TIP3    H116697   2.747   6.148   2.564  0.6899 -0.8526  0.0247
+ 5083TIP3    H216698   2.694   6.273   2.497 -1.4964 -1.2495  0.9515
+ 5084TIP3   OH216699   2.850   4.973   3.474 -0.4557 -0.0653 -0.0497
+ 5084TIP3    H116700   2.897   5.033   3.532 -1.2382 -0.6409  1.1916
+ 5084TIP3    H216701   2.789   4.926   3.531 -1.5145 -0.3703 -1.3935
+ 5085TIP3   OH216702   3.367   5.066   4.156 -0.2973 -0.5604  0.4683
+ 5085TIP3    H116703   3.305   5.015   4.104 -1.8870 -0.1826  1.9816
+ 5085TIP3    H216704   3.452   5.026   4.137 -1.0805 -1.5373 -1.0569
+ 5086TIP3   OH216705   2.394   5.532   3.756 -0.1154  0.0609  0.2317
+ 5086TIP3    H116706   2.383   5.627   3.748 -0.3619 -0.0220 -0.4348
+ 5086TIP3    H216707   2.317   5.503   3.804 -0.3142  0.1257 -0.0494
+ 5087TIP3   OH216708   3.563   6.488   0.718  0.0793  0.4717 -0.1622
+ 5087TIP3    H116709   3.501   6.480   0.646 -0.4095  0.3470  0.2598
+ 5087TIP3    H216710   3.589   6.398   0.737  0.6286  0.5500 -0.5398
+ 5088TIP3   OH216711   5.032   6.586   1.558 -0.0723  0.3597 -0.0484
+ 5088TIP3    H116712   5.093   6.567   1.628  0.9233 -0.2218 -1.0523
+ 5088TIP3    H216713   4.952   6.613   1.602  0.6550  0.3441  1.2905
+ 5089TIP3   OH216714   5.215   0.080   2.190 -0.0814  0.2947  0.3064
+ 5089TIP3    H116715   5.145   0.039   2.139  0.2382 -0.3306  0.3670
+ 5089TIP3    H216716   5.227   0.166   2.150  0.6740 -0.4669 -1.1602
+ 5090TIP3   OH216717   3.834   5.504   2.642 -0.0285  0.4495 -0.0627
+ 5090TIP3    H116718   3.818   5.585   2.594  2.1825  0.0707 -1.5499
+ 5090TIP3    H216719   3.913   5.521   2.693  0.0255 -0.5122  0.1904
+ 5091TIP3   OH216720   3.504   6.294   6.405 -0.1772 -0.1274  0.0712
+ 5091TIP3    H116721   3.433   6.307   6.467 -1.0516  2.1801 -1.3402
+ 5091TIP3    H216722   3.482   6.350   6.330  2.3328 -0.5400 -1.0543
+ 5092TIP3   OH216723   2.103   0.055   3.119  0.5710  0.3989 -0.1801
+ 5092TIP3    H116724   2.043  -0.020   3.111  0.5000  0.3157  1.0309
+ 5092TIP3    H216725   2.077   0.097   3.201 -0.2561  2.5242 -1.5028
+ 5093TIP3   OH216726   2.992   0.527   3.608 -0.2367  0.0909 -0.2429
+ 5093TIP3    H116727   2.988   0.525   3.513  0.9249  2.0887 -0.3786
+ 5093TIP3    H216728   2.940   0.604   3.633  0.5303  0.3400  0.6342
+ 5094TIP3   OH216729   6.504   6.150   3.171 -0.2067 -0.3578  0.3151
+ 5094TIP3    H116730   6.498   6.132   3.265  1.9752  0.6708  0.6864
+ 5094TIP3    H216731   6.471   6.239   3.162  1.0872  0.1366  0.3556
+ 5095TIP3   OH216732   3.138   6.884   0.413 -0.0038  0.0175  0.1108
+ 5095TIP3    H116733   3.077   6.915   0.480  1.5339 -1.4322  2.2472
+ 5095TIP3    H216734   3.217   6.859   0.462  2.7685  2.8491 -2.6581
+ 5096TIP3   OH216735   2.088   6.607   2.442 -0.1442 -0.1477 -0.0608
+ 5096TIP3    H116736   2.029   6.600   2.366 -0.2464  0.2118 -0.0148
+ 5096TIP3    H216737   2.072   6.527   2.492 -0.8628  0.1250  0.1476
+ 5097TIP3   OH216738   4.608   6.089   2.501  0.2173 -0.2645 -0.1908
+ 5097TIP3    H116739   4.541   6.074   2.567  0.3150 -0.4792 -0.1399
+ 5097TIP3    H216740   4.626   6.183   2.505  0.0626 -0.2411 -0.0665
+ 5098TIP3   OH216741   1.908   6.817   2.738  0.5117 -0.1567 -0.2078
+ 5098TIP3    H116742   1.865   6.745   2.783 -0.0431  1.3817  1.8223
+ 5098TIP3    H216743   1.865   6.822   2.653 -2.0988  0.1964  1.0856
+ 5099TIP3   OH216744   2.787   5.246   2.692 -0.5195  0.5573  0.3903
+ 5099TIP3    H116745   2.871   5.262   2.735 -1.6961 -0.1939  3.0873
+ 5099TIP3    H216746   2.810   5.204   2.609  1.8483  2.5408 -0.0151
+ 5100TIP3   OH216747   3.171   0.829   1.072 -0.4223 -0.0223  0.1039
+ 5100TIP3    H116748   3.231   0.859   1.141 -1.0499 -0.8589  1.0376
+ 5100TIP3    H216749   3.087   0.818   1.117 -0.9595 -0.0910 -0.9107
+ 5101TIP3   OH216750   3.174   6.872   2.031  0.0507 -0.1848  0.1047
+ 5101TIP3    H116751   3.256   6.888   1.985  0.3503 -1.7409  0.0725
+ 5101TIP3    H216752   3.198   6.815   2.104 -0.4083  2.2939  2.2543
+ 5102TIP3   OH216753   2.282   4.846   3.002  0.1631 -0.6352  0.5040
+ 5102TIP3    H116754   2.213   4.858   2.938 -0.6465 -2.3221  1.0336
+ 5102TIP3    H216755   2.358   4.890   2.964 -0.5620 -0.7773 -1.1573
+ 5103TIP3   OH216756   6.076   0.013   2.598 -0.0033  0.2322 -0.6449
+ 5103TIP3    H116757   6.145  -0.053   2.603  0.2172  0.3664 -1.8414
+ 5103TIP3    H216758   6.114   0.090   2.642 -0.8099 -0.8560  2.0937
+ 5104TIP3   OH216759   4.767   6.136   4.178  0.6367 -0.0969 -0.1963
+ 5104TIP3    H116760   4.672   6.143   4.173  0.5535 -1.0117 -0.0304
+ 5104TIP3    H216761   4.782   6.070   4.246  1.3760 -0.2870 -0.5424
+ 5105TIP3   OH216762   1.424   6.411   2.289 -1.4247 -0.1560 -0.3609
+ 5105TIP3    H116763   1.356   6.477   2.302 -1.9509 -0.5936 -0.8750
+ 5105TIP3    H216764   1.377   6.334   2.257 -0.7647 -0.6583 -0.1313
+ 5106TIP3   OH216765   5.612   5.501   3.049 -0.0197  0.2709  1.0253
+ 5106TIP3    H116766   5.672   5.496   2.974  0.5422  0.6512  1.4454
+ 5106TIP3    H216767   5.525   5.494   3.010  0.2372  1.3175  0.2399
+ 5107TIP3   OH216768   2.908   5.324   3.312  0.2632 -0.3491  0.3515
+ 5107TIP3    H116769   2.869   5.397   3.263  1.1035 -0.0265  0.1462
+ 5107TIP3    H216770   2.877   5.336   3.401 -1.0421 -0.7676 -0.0388
+ 5108TIP3   OH216771   4.540   4.346   2.211  0.0915 -0.1800 -0.5258
+ 5108TIP3    H116772   4.505   4.435   2.207 -0.4824 -0.3865 -0.2247
+ 5108TIP3    H216773   4.625   4.351   2.169  0.1774  0.5712 -0.2594
+ 5109TIP3   OH216774   3.838   4.436   0.826  0.2412  0.9827 -0.2232
+ 5109TIP3    H116775   3.864   4.358   0.876  1.9119  0.7447 -1.4165
+ 5109TIP3    H216776   3.768   4.405   0.768  0.3263  0.5710 -0.1057
+ 5110TIP3   OH216777   1.505   3.383   4.631  0.4278 -0.1658  0.9891
+ 5110TIP3    H116778   1.410   3.391   4.621  0.7066 -0.3261 -2.8642
+ 5110TIP3    H216779   1.521   3.289   4.639  0.3888 -0.4038 -1.2406
+ 5111TIP3   OH216780   1.125   4.472   2.201  0.3897  0.0480  0.5233
+ 5111TIP3    H116781   1.168   4.409   2.259 -0.3313 -1.3609 -0.4363
+ 5111TIP3    H216782   1.080   4.533   2.260  0.3652 -0.8555  1.4490
+ 5112TIP3   OH216783   3.529   5.524   3.151 -0.1414 -0.7048  0.7710
+ 5112TIP3    H116784   3.568   5.493   3.233  1.8033 -2.0464 -0.6070
+ 5112TIP3    H216785   3.602   5.564   3.104 -1.0792 -0.5767 -0.5992
+ 5113TIP3   OH216786   3.873   6.444   3.023 -0.0717  0.3492 -0.1598
+ 5113TIP3    H116787   3.802   6.495   2.982 -0.3350  1.1713  1.2925
+ 5113TIP3    H216788   3.831   6.397   3.095  0.7575  0.4708  0.4132
+ 5114TIP3   OH216789   3.959   6.653   3.794  0.4568 -0.4061  0.4859
+ 5114TIP3    H116790   3.999   6.737   3.769  0.3894 -0.5162 -0.0074
+ 5114TIP3    H216791   3.996   6.590   3.733 -1.5457 -0.2674 -0.9477
+ 5115TIP3   OH216792   6.835   5.828   2.918 -0.1886 -0.5605 -0.7423
+ 5115TIP3    H116793   6.809   5.890   2.987 -0.5716 -2.7750  1.1678
+ 5115TIP3    H216794   6.823   5.877   2.836 -1.7876  1.4293  0.6254
+ 5116TIP3   OH216795   1.809   4.804   4.435 -0.0606  0.3158 -0.1791
+ 5116TIP3    H116796   1.894   4.821   4.476 -0.5881  1.5513  0.4089
+ 5116TIP3    H216797   1.746   4.846   4.492 -1.1216 -0.9180 -0.4228
+ 5117TIP3   OH216798   2.463   6.172   4.246  0.6725  0.1189  0.3142
+ 5117TIP3    H116799   2.454   6.265   4.225  0.8344  0.4205  1.5690
+ 5117TIP3    H216800   2.556   6.160   4.266  0.9368 -0.6248 -1.2780
+ 5118TIP3   OH216801   2.572   5.623   2.091 -0.5649  0.0141 -0.8094
+ 5118TIP3    H116802   2.483   5.607   2.060 -0.0907  0.0613 -2.2437
+ 5118TIP3    H216803   2.586   5.717   2.077 -0.7209  0.2516  0.5812
+ 5119TIP3   OH216804   4.073   6.811   1.541 -0.0422  0.2193  0.1736
+ 5119TIP3    H116805   4.050   6.902   1.521  1.0022  0.4024 -0.1940
+ 5119TIP3    H216806   4.015   6.788   1.613  0.2196  1.4203  0.7855
+ 5120TIP3   OH216807   4.213   1.851   2.697 -0.1266  0.2584 -0.2409
+ 5120TIP3    H116808   4.123   1.851   2.731 -0.3635  0.2475 -0.8710
+ 5120TIP3    H216809   4.240   1.943   2.699  0.6273  0.0271  1.9981
+ 5121TIP3   OH216810   4.177   5.583   1.655 -0.2873 -0.1096  0.2964
+ 5121TIP3    H116811   4.187   5.666   1.608 -3.6358  0.3044  0.1731
+ 5121TIP3    H216812   4.175   5.609   1.747  1.0899 -0.3560  0.4099
+ 5122TIP3   OH216813   2.507   6.624   3.785  0.4546 -0.1536  0.3707
+ 5122TIP3    H116814   2.437   6.640   3.722  0.6587  1.3377  0.4976
+ 5122TIP3    H216815   2.489   6.537   3.819 -0.1271 -0.6351 -1.1405
+ 5123TIP3   OH216816   4.433   4.934   2.034  0.3307  0.4225  0.3279
+ 5123TIP3    H116817   4.423   4.883   1.954 -1.5360  2.2890 -0.6425
+ 5123TIP3    H216818   4.416   5.024   2.009  0.8014  1.2018  2.6148
+ 5124TIP3   OH216819   4.867   5.541   3.860  0.1172  0.3911 -0.3914
+ 5124TIP3    H116820   4.784   5.566   3.820  0.2745  0.3652 -0.7318
+ 5124TIP3    H216821   4.849   5.543   3.954  0.2358  2.1094 -0.3976
+ 5125TIP3   OH216822   3.139   1.331   1.092  0.9752  0.0620  0.2776
+ 5125TIP3    H116823   3.066   1.391   1.077  3.0192  2.3512 -0.8756
+ 5125TIP3    H216824   3.131   1.265   1.023 -0.3071 -0.0174  0.5009
+ 5126TIP3   OH216825   5.219   6.227   3.158  0.0532  0.2450 -0.2496
+ 5126TIP3    H116826   5.132   6.204   3.128 -0.1886  2.2819 -1.1373
+ 5126TIP3    H216827   5.263   6.143   3.171 -2.0194 -0.7878  0.1914
+ 5127TIP3   OH216828   3.894   1.191   1.606 -0.1186 -0.0022 -0.2468
+ 5127TIP3    H116829   3.934   1.276   1.625  1.2590 -0.7871  0.3974
+ 5127TIP3    H216830   3.824   1.182   1.671  0.8480 -0.1174  0.7856
+ 5128TIP3   OH216831   3.949   6.731   3.472  0.1121  0.4461 -0.2451
+ 5128TIP3    H116832   4.010   6.771   3.410 -1.5816  2.5631 -0.6234
+ 5128TIP3    H216833   3.908   6.660   3.423  0.4662  0.6114 -0.7878
+ 5129TIP3   OH216834   3.949   5.001   4.916  0.1646 -0.1062  0.1698
+ 5129TIP3    H116835   4.023   5.054   4.947 -2.3676  1.4344  3.9717
+ 5129TIP3    H216836   3.886   5.065   4.883  0.1121 -1.3493 -2.2666
+ 5130TIP3   OH216837   3.141   0.074   3.518  0.1124  0.0124 -0.0149
+ 5130TIP3    H116838   3.138   0.163   3.484 -0.4724 -0.7761 -2.1071
+ 5130TIP3    H216839   3.069   0.070   3.581 -3.7453 -0.6047 -4.1751
+ 5131TIP3   OH216840   4.574   4.556   3.701 -0.3114  0.0084  1.2548
+ 5131TIP3    H116841   4.568   4.480   3.643  0.6191 -0.1422  1.3458
+ 5131TIP3    H216842   4.644   4.609   3.663  0.4938 -0.2291  2.3961
+ 5132TIP3   OH216843   5.269   1.447   2.399  0.0712 -0.2541  0.0173
+ 5132TIP3    H116844   5.362   1.428   2.411 -0.0584 -0.4191  0.7804
+ 5132TIP3    H216845   5.267   1.535   2.360  0.5372 -0.1587  0.2094
+ 5133TIP3   OH216846   4.660   1.911   1.206 -0.2604 -0.6676 -0.0060
+ 5133TIP3    H116847   4.657   1.838   1.144  0.9112  0.7823 -1.8307
+ 5133TIP3    H216848   4.572   1.950   1.202  0.3104  0.4653 -2.0900
+ 5134TIP3   OH216849   4.811   0.736   2.768 -0.5545  0.5074 -0.1285
+ 5134TIP3    H116850   4.716   0.746   2.761 -0.3070  2.0254 -1.6366
+ 5134TIP3    H216851   4.844   0.825   2.778  0.5634 -0.1763  2.7378
+ 5135TIP3   OH216852   4.294   0.278   1.850 -0.2799  0.5960 -0.1044
+ 5135TIP3    H116853   4.299   0.332   1.771  0.0326  1.7057  0.6677
+ 5135TIP3    H216854   4.200   0.265   1.864 -0.3115 -0.5570 -1.2927
+ 5136TIP3   OH216855   3.784   6.259   3.244 -0.3013  0.4818 -0.5799
+ 5136TIP3    H116856   3.856   6.198   3.262  0.3578  1.8703  1.6589
+ 5136TIP3    H216857   3.720   6.241   3.313 -1.6156  0.0789 -1.8613
+ 5137TIP3   OH216858   3.492   6.735   3.733  0.0343  0.0895 -0.2083
+ 5137TIP3    H116859   3.580   6.757   3.703  0.2929  2.1399  1.9029
+ 5137TIP3    H216860   3.435   6.794   3.684 -0.0561 -0.5038 -0.8105
+ 5138TIP3   OH216861   5.014   6.754   4.007  0.1116  0.3759  0.3782
+ 5138TIP3    H116862   4.928   6.756   4.048  0.0054  0.2539  0.1617
+ 5138TIP3    H216863   5.005   6.690   3.936  0.4341  0.2204  0.4748
+ 5139TIP3   OH216864   1.928   1.942   3.883  0.1191 -0.3096  0.1639
+ 5139TIP3    H116865   1.956   1.998   3.811  1.3862 -0.2201  0.7088
+ 5139TIP3    H216866   1.882   1.869   3.841 -2.0229  1.3993 -0.5113
+ 5140TIP3   OH216867   3.254   0.224   6.315  0.3216  1.0435 -0.4384
+ 5140TIP3    H116868   3.258   0.226   6.220  0.4108 -1.1357 -0.5053
+ 5140TIP3    H216869   3.171   0.182   6.335  0.8439  0.4030  0.4255
+ 5141TIP3   OH216870   4.649   2.419   3.937 -0.4534 -0.6699 -0.0110
+ 5141TIP3    H116871   4.698   2.466   4.004 -0.8042  0.2321 -0.3817
+ 5141TIP3    H216872   4.561   2.408   3.974 -0.6408 -0.1929 -0.3114
+ 5142TIP3   OH216873   2.856   0.560   3.353 -0.5044  0.3086 -0.5809
+ 5142TIP3    H116874   2.853   0.652   3.328  0.1349  1.0416  1.9474
+ 5142TIP3    H216875   2.931   0.525   3.304 -1.1356  0.9469 -2.0437
+ 5143TIP3   OH216876   5.023   0.863   4.921 -0.5196 -0.0425  0.2630
+ 5143TIP3    H116877   5.016   0.773   4.953 -0.2153 -0.1888 -0.0853
+ 5143TIP3    H216878   5.058   0.913   4.996  0.0197 -0.3506  0.2176
+ 5144TIP3   OH216879   5.817   2.112   3.505 -0.2456 -0.1748  0.3210
+ 5144TIP3    H116880   5.804   2.081   3.594  1.8393 -1.5185  0.1868
+ 5144TIP3    H216881   5.777   2.044   3.450  0.0904 -0.2397  0.1614
+ 5145TIP3   OH216882   2.862   5.550   2.664  0.6838 -0.3865 -0.1087
+ 5145TIP3    H116883   2.858   5.491   2.739  0.9445  0.3221  0.4733
+ 5145TIP3    H216884   2.775   5.544   2.624  0.8466 -1.4664 -0.2980
+ 5146TIP3   OH216885   5.334   0.228   1.579  0.0627 -0.2293  0.1437
+ 5146TIP3    H116886   5.255   0.283   1.577 -0.5442 -1.0762  0.4985
+ 5146TIP3    H216887   5.377   0.253   1.661  0.5620  0.7771 -0.4189
+ 5147TIP3   OH216888   4.522   5.038   2.268  0.2876  0.1956 -0.4294
+ 5147TIP3    H116889   4.518   4.992   2.352  1.5070 -1.7851 -1.4059
+ 5147TIP3    H216890   4.472   4.982   2.209 -0.0184  1.2422 -1.1601
+ 5148TIP3   OH216891   2.958   6.866   4.059  0.1380 -0.3561  0.2173
+ 5148TIP3    H116892   2.999   6.831   4.137  2.3574 -0.5752 -1.0128
+ 5148TIP3    H216893   2.894   6.800   4.033  2.1320 -2.1013 -0.3462
+ 5149TIP3   OH216894   5.328   6.779   6.170  0.1030  0.4463  0.4503
+ 5149TIP3    H116895   5.315   6.691   6.205 -0.2586  0.4314  0.2826
+ 5149TIP3    H216896   5.248   6.797   6.121 -0.2107  1.2367  1.2502
+ 5150TIP3   OH216897   5.066   6.760   3.000  0.6994 -0.3003  0.0126
+ 5150TIP3    H116898   5.120   6.825   2.954 -0.6476  0.3132 -0.7245
+ 5150TIP3    H216899   5.130   6.705   3.045  1.9004  1.1247  0.1225
+ 5151TIP3   OH216900   4.737   0.321   2.980 -0.4270 -0.2407  0.1810
+ 5151TIP3    H116901   4.682   0.337   3.056 -0.5433 -2.3023  0.5404
+ 5151TIP3    H216902   4.687   0.259   2.926  0.8592 -0.9220 -0.2388
+ 5152TIP3   OH216903   4.712   5.615   4.498 -0.4587 -0.4947  0.1709
+ 5152TIP3    H116904   4.750   5.665   4.570  0.0888 -0.8014  0.0982
+ 5152TIP3    H216905   4.678   5.681   4.438 -1.3994 -0.2441  0.9628
+ 5153TIP3   OH216906   4.506   6.717   0.793  0.0214 -1.0938 -0.4479
+ 5153TIP3    H116907   4.497   6.639   0.847  0.8649 -0.8479  0.0579
+ 5153TIP3    H216908   4.456   6.784   0.840  0.1402 -1.0733 -0.3494
+ 5154TIP3   OH216909   4.845   4.779   1.521  0.5439 -0.4142  0.0388
+ 5154TIP3    H116910   4.832   4.731   1.602  1.1427 -0.8832 -0.1356
+ 5154TIP3    H216911   4.766   4.762   1.469  0.1489 -0.0832  0.5317
+ 5155TIP3   OH216912   3.112   0.579   4.293 -0.0018 -0.2421  0.4073
+ 5155TIP3    H116913   3.169   0.645   4.255  0.4986 -0.1734  1.2512
+ 5155TIP3    H216914   3.129   0.584   4.387 -0.1851 -1.3591  0.5103
+ 5156TIP3   OH216915   1.073   5.186   3.677  0.0336 -0.0218 -0.4093
+ 5156TIP3    H116916   1.020   5.224   3.607 -0.3550 -0.9877 -0.6454
+ 5156TIP3    H216917   1.012   5.134   3.728  0.3942  0.3622  0.4308
+ 5157TIP3   OH216918   6.242   2.308   5.007 -0.1194 -0.1627  0.6502
+ 5157TIP3    H116919   6.221   2.220   4.974 -0.3523 -0.0212  0.4142
+ 5157TIP3    H216920   6.179   2.323   5.078 -0.7820  0.2332 -0.0104
+ 5158TIP3   OH216921   6.590   0.777   4.086  0.2936 -0.5836  0.0871
+ 5158TIP3    H116922   6.533   0.704   4.063 -0.1399 -0.0978 -0.4091
+ 5158TIP3    H216923   6.530   0.848   4.108  0.5598  1.2179 -4.3730
+ 5159TIP3   OH216924   1.029   0.975   2.574  0.4837  0.3224 -0.4737
+ 5159TIP3    H116925   0.984   0.922   2.508  0.6357  2.8674 -2.6789
+ 5159TIP3    H216926   0.959   1.024   2.617  0.5745 -0.0549  0.1163
+ 5160TIP3   OH216927   3.694   6.430   3.567  0.2614 -0.0425 -0.3993
+ 5160TIP3    H116928   3.783   6.395   3.559 -0.2531 -1.2830 -0.9400
+ 5160TIP3    H216929   3.638   6.362   3.528 -0.9681  0.4801  0.4126
+ 5161TIP3   OH216930   5.789   6.872   1.764 -0.0015  0.2853 -0.0542
+ 5161TIP3    H116931   5.819   6.953   1.805  2.6705 -2.0082  2.7863
+ 5161TIP3    H216932   5.703   6.857   1.802  0.8214  0.2092  1.8372
+ 5162TIP3   OH216933   1.763   5.900   3.189  0.6260 -0.0886  0.3107
+ 5162TIP3    H116934   1.767   5.995   3.191 -2.2730  0.0990 -0.0547
+ 5162TIP3    H216935   1.759   5.879   3.095  6.4271 -0.9553  0.0836
+ 5163TIP3   OH216936   2.980   5.248   1.423 -0.2796 -0.0969 -0.3320
+ 5163TIP3    H116937   3.067   5.250   1.464  0.0946 -0.0769 -1.1234
+ 5163TIP3    H216938   2.926   5.201   1.486  0.4194 -0.5586 -0.0637
+ 5164TIP3   OH216939   4.371   4.817   0.840 -0.8849  0.3962  0.3184
+ 5164TIP3    H116940   4.463   4.845   0.842 -0.9438  0.7873 -1.5397
+ 5164TIP3    H216941   4.323   4.888   0.883 -0.2615 -0.1157  1.8920
+ 5165TIP3   OH216942   3.771   6.762   4.392  0.4255  0.4324  0.1260
+ 5165TIP3    H116943   3.804   6.742   4.304  1.7926  0.8731  0.5309
+ 5165TIP3    H216944   3.696   6.703   4.402  1.0430 -0.5564 -0.8363
+ 5166TIP3   OH216945   5.459   4.981   2.712 -0.6179 -0.3475  0.0794
+ 5166TIP3    H116946   5.390   5.002   2.650  0.4833 -0.1260 -1.0841
+ 5166TIP3    H216947   5.417   4.924   2.777 -2.4443  1.5481  0.6242
+ 5167TIP3   OH216948   5.728   0.750   2.590 -0.3088 -0.2385  0.1181
+ 5167TIP3    H116949   5.779   0.682   2.634  0.3158  2.8549  4.4536
+ 5167TIP3    H216950   5.793   0.805   2.547 -0.5189 -0.0210  0.0758
+ 5168TIP3   OH216951   6.086   6.132   0.822 -0.4534  0.3431 -0.2119
+ 5168TIP3    H116952   6.098   6.040   0.798  4.3169  1.3535 -2.3370
+ 5168TIP3    H216953   5.998   6.154   0.791 -1.4823 -3.3010 -0.1273
+ 5169TIP3   OH216954   3.727   0.468   3.325  0.0369 -0.0387  0.4617
+ 5169TIP3    H116955   3.650   0.478   3.381 -0.4123  0.9992 -0.3173
+ 5169TIP3    H216956   3.716   0.535   3.258  1.7424  0.2531  0.4690
+ 5170TIP3   OH216957   6.232   1.198   1.722 -0.4148 -0.4569 -0.3034
+ 5170TIP3    H116958   6.277   1.143   1.786 -0.0548  0.9187  0.6533
+ 5170TIP3    H216959   6.155   1.147   1.696 -0.6455 -0.9757  1.3424
+ 5171TIP3   OH216960   4.568   6.909   0.603 -0.2997 -0.0229 -0.6420
+ 5171TIP3    H116961   4.550   6.834   0.660 -2.9205  1.1581  0.1782
+ 5171TIP3    H216962   4.526   6.887   0.520  0.0855 -0.0453 -0.8292
+ 5172TIP3   OH216963   4.016   6.020   0.776 -0.3049  0.0564 -0.0318
+ 5172TIP3    H116964   4.036   5.964   0.701  3.7118  2.5887 -0.9846
+ 5172TIP3    H216965   4.061   5.979   0.850 -0.0471  0.2760 -0.0657
+ 5173TIP3   OH216966   3.154   5.216   2.354 -0.3222 -0.7437 -0.0014
+ 5173TIP3    H116967   3.113   5.301   2.373  1.3754 -0.3027  1.8604
+ 5173TIP3    H216968   3.226   5.237   2.293  0.0133 -0.8573  0.3529
+ 5174TIP3   OH216969   4.727   3.882   0.920  0.7742  0.1759 -0.3036
+ 5174TIP3    H116970   4.756   3.815   0.857  0.3400 -0.6308  0.3536
+ 5174TIP3    H216971   4.633   3.867   0.929  0.8032  0.4088  0.4025
+ 5175TIP3   OH216972   5.122   0.085   0.071  0.1027  0.1791 -0.0640
+ 5175TIP3    H116973   5.148   0.139   0.146  0.9107  1.0224 -0.9434
+ 5175TIP3    H216974   5.086   0.005   0.111 -0.3364  0.9995  1.2329
+ 5176TIP3   OH216975   5.126   6.725   2.526 -0.2706 -0.0304  0.7498
+ 5176TIP3    H116976   5.202   6.774   2.557 -0.5686  0.3993  0.8028
+ 5176TIP3    H216977   5.083   6.694   2.606 -1.1906  1.3044  0.7961
+ 5177TIP3   OH216978   4.652   5.100   1.519  0.4113 -0.0137 -0.6439
+ 5177TIP3    H116979   4.697   5.180   1.546  2.1698 -1.2082  0.0670
+ 5177TIP3    H216980   4.689   5.079   1.433 -0.5087  0.2673 -1.1183
+ 5178TIP3   OH216981   3.511   0.418   3.682 -0.4138  0.6967 -0.5629
+ 5178TIP3    H116982   3.501   0.368   3.763 -0.4264  1.2475 -0.2202
+ 5178TIP3    H216983   3.429   0.404   3.634  0.6865 -1.9183 -1.7836
+ 5179TIP3   OH216984   4.398   4.957   5.984 -0.2125  0.5500 -0.6231
+ 5179TIP3    H116985   4.435   4.929   6.068 -2.0850 -2.8151 -0.8268
+ 5179TIP3    H216986   4.469   4.944   5.921  1.4317  3.7506  0.4666
+ 5180TIP3   OH216987   6.359   4.781   0.518  0.3624  0.1513  0.5446
+ 5180TIP3    H116988   6.437   4.760   0.569  1.0612 -0.2702 -0.6759
+ 5180TIP3    H216989   6.301   4.825   0.580  0.9246 -0.9334  1.8604
+ 5181TIP3   OH216990   6.455   6.754   3.451 -0.4189  0.0961  0.0023
+ 5181TIP3    H116991   6.492   6.744   3.363  0.7695 -0.2607  0.5346
+ 5181TIP3    H216992   6.366   6.786   3.436 -0.2883 -0.1382 -1.3379
+ 5182TIP3   OH216993   5.411   2.386   4.121 -0.0268 -0.4462  0.1626
+ 5182TIP3    H116994   5.436   2.333   4.045 -1.5159 -0.3821 -0.3880
+ 5182TIP3    H216995   5.315   2.382   4.122 -0.2371  2.8957 -0.3764
+ 5183TIP3   OH216996   0.416   5.712   0.728 -0.2037  0.0036  0.0091
+ 5183TIP3    H116997   0.397   5.707   0.821 -1.3140 -1.4243 -0.2642
+ 5183TIP3    H216998   0.489   5.651   0.715 -0.2260 -0.0008 -0.0938
+ 5184TIP3   OH216999   0.045   1.904   0.474 -0.3756 -0.4423 -0.1212
+ 5184TIP3    H117000   0.102   1.843   0.521 -0.5796  0.8639  1.8645
+ 5184TIP3    H217001  -0.018   1.933   0.539 -0.4567  1.6848 -1.1220
+ 5185TIP3   OH217002   2.578   0.942   2.130 -0.3603  0.3939  0.3424
+ 5185TIP3    H117003   2.535   1.027   2.136 -0.5645  0.2941  0.3039
+ 5185TIP3    H217004   2.519   0.882   2.176 -0.3441  0.2254  0.1439
+ 5186TIP3   OH217005   4.312   0.790   3.075 -0.5131  0.0792 -0.1782
+ 5186TIP3    H117006   4.221   0.806   3.051 -0.0668 -0.4974 -2.2853
+ 5186TIP3    H217007   4.339   0.716   3.021  0.8818 -0.5016  1.2512
+ 5187TIP3   OH217008   5.950   0.281   0.824  0.5183 -0.2828  0.7968
+ 5187TIP3    H117009   6.045   0.296   0.825  0.6232 -0.5307 -2.0072
+ 5187TIP3    H217010   5.915   0.354   0.774 -0.6279 -0.9152  0.6663
+ 5188TIP3   OH217011   4.073   6.425   3.964  0.1819 -0.5211 -0.0136
+ 5188TIP3    H117012   4.028   6.354   3.917 -0.2863 -0.1891 -0.0764
+ 5188TIP3    H217013   4.021   6.503   3.944  0.2228 -0.3030  0.7231
+ 5189TIP3   OH217014   3.981   3.645   1.411  0.1869 -0.5933  0.2233
+ 5189TIP3    H117015   3.911   3.656   1.476  2.0743 -0.2653  2.2380
+ 5189TIP3    H217016   4.031   3.570   1.443  0.8298 -0.7651 -1.1632
+ 5190TIP3   OH217017   5.903   4.796   2.471 -0.1249 -0.4814 -0.2354
+ 5190TIP3    H117018   5.810   4.776   2.458  0.2715 -1.9929 -0.8004
+ 5190TIP3    H217019   5.905   4.843   2.554 -1.7346  2.1630 -1.6061
+ 5191TIP3   OH217020   4.758   5.172   2.827  0.4583 -0.8208  0.5252
+ 5191TIP3    H117021   4.834   5.124   2.794  1.1593  1.1423 -0.7499
+ 5191TIP3    H217022   4.684   5.112   2.813  0.9619 -0.6817 -3.1565
+ 5192TIP3   OH217023   3.800   4.744   1.635  0.1301 -0.2427  0.2941
+ 5192TIP3    H117024   3.866   4.782   1.692 -0.9974  0.0291  1.4319
+ 5192TIP3    H217025   3.723   4.734   1.690 -0.3643 -1.8720 -0.6361
+ 5193TIP3   OH217026   5.251   1.602   3.376 -0.3731  0.0737 -0.3775
+ 5193TIP3    H117027   5.251   1.606   3.471 -0.5739 -1.5941 -0.3003
+ 5193TIP3    H217028   5.159   1.594   3.352 -0.5091  2.4637 -0.8348
+ 5194TIP3   OH217029   5.642   0.887   2.276 -0.1766 -0.2303 -0.6482
+ 5194TIP3    H117030   5.674   0.913   2.362 -0.7643  2.1262 -1.1179
+ 5194TIP3    H217031   5.560   0.841   2.294  0.3959 -0.9828  0.1193
+ 5195TIP3   OH217032   5.625   6.486   0.133  0.3137  0.1512 -0.0012
+ 5195TIP3    H117033   5.654   6.407   0.178  1.3608  1.3943  1.5753
+ 5195TIP3    H217034   5.562   6.455   0.068  2.1178 -2.1948 -0.7330
+ 5196TIP3   OH217035   4.230   3.830   1.463 -0.4496 -0.6512  0.0838
+ 5196TIP3    H117036   4.156   3.886   1.440 -0.6089 -0.5808  0.7474
+ 5196TIP3    H217037   4.307   3.885   1.448 -0.6397  0.0359  1.4936
+ 5197TIP3   OH217038   6.080   5.856   2.859 -0.0175 -0.2958  0.5640
+ 5197TIP3    H117039   6.074   5.913   2.783  0.5866 -0.3519  0.4769
+ 5197TIP3    H217040   6.155   5.889   2.908 -1.5312  0.9520  2.1334
+ 5198TIP3   OH217041   4.704   0.823   0.371 -0.9683 -0.1583  0.2050
+ 5198TIP3    H117042   4.756   0.864   0.440  0.0034  0.8434 -1.1020
+ 5198TIP3    H217043   4.760   0.751   0.339 -0.6736  0.4735 -0.7173
+ 5199TIP3   OH217044   5.889   1.397   4.619  0.2986  0.0517 -0.1620
+ 5199TIP3    H117045   5.940   1.320   4.643  1.3783  0.5216 -0.9301
+ 5199TIP3    H217046   5.822   1.404   4.687  1.0979 -0.7078  0.7038
+ 5200TIP3   OH217047   4.011   0.681   3.344  0.2471 -0.6512 -0.1755
+ 5200TIP3    H117048   3.963   0.734   3.407  2.1965  0.7848  0.1382
+ 5200TIP3    H217049   3.985   0.591   3.364 -1.7918  0.0319  0.3870
+ 5201TIP3   OH217050   4.954   5.177   2.321 -0.5827 -0.4521 -0.1353
+ 5201TIP3    H117051   4.968   5.268   2.348  0.7874 -0.7981  0.3546
+ 5201TIP3    H217052   4.910   5.137   2.397 -2.1626  0.0470 -0.7621
+ 5202TIP3   OH217053   6.669   1.110   0.521  0.5910 -0.2632  0.2685
+ 5202TIP3    H117054   6.608   1.171   0.561 -0.3410 -0.4504 -0.8509
+ 5202TIP3    H217055   6.692   1.049   0.592 -0.6032 -0.2576  0.6720
+ 5203TIP3   OH217056   5.093   0.564   2.000  0.4385 -0.0232  0.2407
+ 5203TIP3    H117057   5.105   0.626   2.072  1.7485  0.1959 -0.1711
+ 5203TIP3    H217058   5.086   0.618   1.922 -0.9453 -0.2676  0.1712
+ 5204TIP3   OH217059   5.650   0.903   3.224 -0.5430 -0.2024 -0.2636
+ 5204TIP3    H117060   5.709   0.828   3.228  2.1297  1.8425  0.0927
+ 5204TIP3    H217061   5.652   0.941   3.312  0.2743  1.8328 -1.1218
+ 5205TIP3   OH217062   3.518   6.166   3.040 -0.3639 -0.6045  0.4939
+ 5205TIP3    H117063   3.428   6.143   3.066 -1.0015  0.7003 -0.5045
+ 5205TIP3    H217064   3.532   6.253   3.079 -0.7303  0.6376 -2.0658
+ 5206TIP3   OH217065   5.896   0.600   1.790 -0.0687 -0.0109 -0.6737
+ 5206TIP3    H117066   5.820   0.653   1.815  0.6046  0.3057  0.7145
+ 5206TIP3    H217067   5.941   0.581   1.872  1.4460 -0.0728 -1.5009
+ 5207TIP3   OH217068   2.306   6.775   2.368 -0.3134  0.8017  0.6080
+ 5207TIP3    H117069   2.245   6.718   2.415  1.2556 -1.7461 -0.3980
+ 5207TIP3    H217070   2.392   6.738   2.385  1.1465  4.7028  2.5243
+ 5208TIP3   OH217071   4.332   5.078   2.459 -0.0166 -0.2126 -0.8392
+ 5208TIP3    H117072   4.271   5.148   2.435 -0.6088 -0.2201  0.5988
+ 5208TIP3    H217073   4.413   5.124   2.484 -0.1951 -0.0733 -0.5132
+ 5209TIP3   OH217074   4.041   0.843   3.120 -0.0761  0.1727  0.3800
+ 5209TIP3    H117075   4.016   0.795   3.199  0.7238 -0.2242  0.4026
+ 5209TIP3    H217076   3.959   0.875   3.084 -0.6761 -1.4787  0.2065
+ 5210TIP3   OH217077   6.090   6.024   4.449 -0.3818  0.3152 -0.0506
+ 5210TIP3    H117078   6.168   6.024   4.393 -0.6724  1.1978 -0.4626
+ 5210TIP3    H217079   6.062   5.933   4.450  0.3629  0.0742 -0.3045
+ 5211TIP3   OH217080   2.631   0.113   2.255  0.1289  0.6633  0.3395
+ 5211TIP3    H117081   2.687   0.182   2.220 -0.5232  0.2665 -1.5854
+ 5211TIP3    H217082   2.548   0.156   2.273  0.4126  0.8318  1.2798
+ 5212TIP3   OH217083   4.256   0.513   4.801  0.3960 -0.1421  0.2014
+ 5212TIP3    H117084   4.261   0.443   4.866  1.4404 -1.1473 -0.9294
+ 5212TIP3    H217085   4.347   0.526   4.774  0.1411  1.2890  0.0196
+ 5213TIP3   OH217086   4.358   5.180   3.022 -0.0693  0.3876  0.3843
+ 5213TIP3    H117087   4.325   5.237   2.952  0.1192  0.3577  0.2723
+ 5213TIP3    H217088   4.318   5.215   3.102 -2.4898 -1.2254 -0.0446
+ 5214TIP3   OH217089   3.811   0.494   4.633 -0.0371  0.5444  0.1786
+ 5214TIP3    H117090   3.888   0.438   4.623  0.1553  0.7982  0.2293
+ 5214TIP3    H217091   3.847   0.583   4.642 -0.4345  1.0787 -2.9246
+ 5215TIP3   OH217092   5.988   0.232   6.493 -0.0870 -0.0519  0.3065
+ 5215TIP3    H117093   5.928   0.223   6.567  1.7976 -0.6696  1.7800
+ 5215TIP3    H217094   5.993   0.326   6.477  0.8278  0.2305  2.1081
+ 5216TIP3   OH217095   5.946   2.145   4.031 -0.3778  0.2189 -0.5343
+ 5216TIP3    H117096   6.006   2.212   4.000 -0.8851  1.7078  1.5698
+ 5216TIP3    H217097   5.934   2.164   4.124 -1.0032 -2.4388 -0.0054
+ 5217TIP3   OH217098   5.645   5.111   2.500 -0.2176 -0.1569 -0.0179
+ 5217TIP3    H117099   5.612   5.058   2.572 -2.3445  1.1764  0.0105
+ 5217TIP3    H217100   5.583   5.096   2.428 -0.0330  1.1964 -0.4640
+ 5218TIP3   OH217101   4.413   6.129   4.463 -0.0322 -0.7089 -0.2197
+ 5218TIP3    H117102   4.492   6.144   4.514 -0.3102 -1.8506  0.5722
+ 5218TIP3    H217103   4.383   6.042   4.490 -1.3160 -0.4713 -0.8290
+ 5219TIP3   OH217104   5.377   6.225   4.515  0.0405 -0.4743  0.2634
+ 5219TIP3    H117105   5.322   6.191   4.586 -1.3242  1.3517  0.1073
+ 5219TIP3    H217106   5.403   6.312   4.545  0.9088 -0.3815 -0.7314
+ 5220TIP3   OH217107   6.101   0.198   3.321 -0.0692  0.3712 -0.1075
+ 5220TIP3    H117108   6.197   0.200   3.321 -0.0983  2.1193  0.3349
+ 5220TIP3    H217109   6.080   0.104   3.323  1.6153 -0.0667 -1.1920
+ 5221TIP3   OH217110   4.462   0.547   2.437  0.4008  0.5157  0.1056
+ 5221TIP3    H117111   4.412   0.597   2.502  0.7793  0.7408  0.2194
+ 5221TIP3    H217112   4.551   0.579   2.445  0.0806  1.9995 -1.9283
+ 5222TIP3   OH217113   4.720   5.961   2.048  0.3969  0.0700 -0.1797
+ 5222TIP3    H117114   4.658   5.980   1.978  0.5394 -0.8808 -0.5834
+ 5222TIP3    H217115   4.787   6.030   2.040  0.5017 -0.1253 -1.0985
+ 5223TIP3   OH217116   5.060   1.981   2.751 -0.2574  0.1188  0.3694
+ 5223TIP3    H117117   5.133   1.920   2.740 -1.6939 -1.5734  0.1053
+ 5223TIP3    H217118   4.983   1.926   2.757 -1.9946  1.9909 -3.2086
+ 5224TIP3   OH217119   5.760   6.557   4.131 -0.2818  0.0569 -0.2578
+ 5224TIP3    H117120   5.854   6.538   4.138  0.2450  2.2729 -1.1280
+ 5224TIP3    H217121   5.718   6.472   4.146  1.9125 -1.2658 -1.3706
+ 5225TIP3   OH217122   3.719   0.473   2.866 -0.9553 -0.3355  0.0426
+ 5225TIP3    H117123   3.789   0.424   2.823  1.2407  2.8519 -0.2326
+ 5225TIP3    H217124   3.638   0.440   2.826  0.6901 -1.2535 -2.6535
+ 5226TIP3   OH217125   5.289   6.866   0.589  0.5113 -0.4629  0.7860
+ 5226TIP3    H117126   5.364   6.808   0.600  0.2338 -0.6632  1.6671
+ 5226TIP3    H217127   5.318   6.950   0.624  0.5864 -0.3293  0.4050
+ 5227TIP3   OH217128   4.825   1.526   4.493  0.1055 -0.1631  1.4099
+ 5227TIP3    H117129   4.906   1.548   4.448 -0.9640  1.7242  0.3650
+ 5227TIP3    H217130   4.838   1.436   4.522  1.2141 -1.1031 -1.7958
+ 5228TIP3   OH217131   6.118   5.319   4.810 -0.3392 -0.5155 -0.2774
+ 5228TIP3    H117132   6.101   5.251   4.875 -1.1192  0.4682  0.5486
+ 5228TIP3    H217133   6.125   5.400   4.861 -0.1820  0.1436 -1.3350
+ 5229TIP3   OH217134   5.351   6.037   2.274 -0.6185  0.2598 -0.3389
+ 5229TIP3    H117135   5.415   5.967   2.284 -0.5037  0.2110 -1.3176
+ 5229TIP3    H217136   5.267   5.995   2.291 -0.2546  0.8098  3.0992
+ 5230TIP3   OH217137   5.074   1.873   2.440  0.2044  0.4295  0.5271
+ 5230TIP3    H117138   5.002   1.891   2.500 -1.6725 -1.3074 -1.1620
+ 5230TIP3    H217139   5.075   1.948   2.380 -0.5084  0.2302  0.2655
+ 5231TIP3   OH217140   0.019   1.121   1.411  0.1297  0.0628 -1.0951
+ 5231TIP3    H117141   0.104   1.101   1.450 -0.7358 -1.1383  0.2040
+ 5231TIP3    H217142   0.020   1.079   1.326  1.6142  1.7823 -1.9676
+ 5232TIP3   OH217143   3.723   1.783   3.515  0.0363 -0.1481 -0.3118
+ 5232TIP3    H117144   3.738   1.826   3.599  0.9565 -1.1201  0.0348
+ 5232TIP3    H217145   3.668   1.708   3.536  0.8317 -0.7833 -0.4575
+ 5233TIP3   OH217146   5.443   6.391   2.633 -0.7246 -0.0843  0.0941
+ 5233TIP3    H117147   5.414   6.336   2.561 -0.8767  0.4448 -0.2502
+ 5233TIP3    H217148   5.516   6.441   2.597 -0.2304 -0.4587  0.5700
+ 5234TIP3   OH217149   6.802   6.539   1.819 -0.3304 -0.6941  0.4388
+ 5234TIP3    H117150   6.850   6.620   1.832  0.9305 -1.0489 -1.7673
+ 5234TIP3    H217151   6.723   6.549   1.872 -1.2498  2.8948 -1.4602
+ 5235TIP3   OH217152   2.167   5.661   2.649  0.2472 -0.1541  0.0985
+ 5235TIP3    H117153   2.160   5.703   2.563 -1.3518 -2.4087 -0.9502
+ 5235TIP3    H217154   2.086   5.686   2.694  0.8744  0.6523  0.7913
+ 5236TIP3   OH217155   4.955   6.255   4.332 -0.1740  0.2952  0.8143
+ 5236TIP3    H117156   4.902   6.212   4.400  0.3318 -0.5113  0.7038
+ 5236TIP3    H217157   4.900   6.252   4.254  0.3863 -1.3897  0.4579
+ 5237TIP3   OH217158   0.924   4.046   6.752 -0.2176  0.3105 -0.5029
+ 5237TIP3    H117159   0.875   3.983   6.805  2.7012 -0.2361  1.6433
+ 5237TIP3    H217160   0.857   4.093   6.703 -2.8132 -0.9759  1.6826
+ 5238TIP3   OH217161   0.120   0.464   2.090 -0.3196 -0.2328  0.1499
+ 5238TIP3    H117162   0.147   0.551   2.118  0.0988 -0.5778  0.8277
+ 5238TIP3    H217163   0.112   0.414   2.171 -0.8311 -0.7515 -0.2158
+ 5239TIP3   OH217164   4.412   6.468   0.215 -0.3412  0.0638 -0.6422
+ 5239TIP3    H117165   4.409   6.507   0.128  1.3286  0.9666 -0.3171
+ 5239TIP3    H217166   4.505   6.464   0.237 -0.6476 -1.5345  0.4908
+ 5240TIP3   OH217167   2.750  -0.014   3.418 -0.0949 -0.4492  0.3268
+ 5240TIP3    H117168   2.709   0.071   3.403 -1.2573 -0.9892  0.4199
+ 5240TIP3    H217169   2.712  -0.045   3.500  0.9374 -0.7033  0.7220
+ 5241TIP3   OH217170   3.030   1.365   2.011  0.1082 -0.1400 -0.2692
+ 5241TIP3    H117171   3.086   1.436   2.044  1.1285 -0.4814 -1.2664
+ 5241TIP3    H217172   3.089   1.291   2.000 -0.6293 -0.6341 -0.9230
+ 5242TIP3   OH217173   6.127   6.656   1.329 -0.0904  0.2486 -0.0508
+ 5242TIP3    H117174   6.128   6.731   1.389 -0.5995 -0.4965  0.9109
+ 5242TIP3    H217175   6.077   6.589   1.376  0.4943 -0.7417 -0.8314
+ 5243TIP3   OH217176   5.081   5.452   1.767 -0.2429  0.2954  0.2294
+ 5243TIP3    H117177   5.021   5.405   1.826  0.0494 -1.1781 -0.6196
+ 5243TIP3    H217178   5.046   5.541   1.763 -1.6687 -0.2327  0.7051
+ 5244TIP3   OH217179   3.289   0.911   3.941  0.5606  0.5809 -0.0634
+ 5244TIP3    H117180   3.196   0.919   3.920  0.5371  1.0142  0.1877
+ 5244TIP3    H217181   3.329   0.877   3.861  0.5047  2.3593 -0.8773
+ 5245TIP3   OH217182   4.388   6.649   1.500 -0.6776  0.5104 -0.1008
+ 5245TIP3    H117183   4.331   6.719   1.534  0.4295  0.5012  1.8393
+ 5245TIP3    H217184   4.477   6.680   1.519 -0.1860 -1.5304  1.0460
+ 5246TIP3   OH217185   3.953   0.888   1.347  0.3138  0.1997 -0.3526
+ 5246TIP3    H117186   3.916   0.909   1.261 -2.7595 -0.1670  0.8061
+ 5246TIP3    H217187   3.902   0.813   1.377  2.5333 -0.7904  1.0630
+ 5247TIP3   OH217188   3.970   0.214   0.090  0.4292  0.0910 -0.1221
+ 5247TIP3    H117189   3.899   0.275   0.072  0.4602  0.6326  1.4791
+ 5247TIP3    H217190   3.980   0.216   0.186  2.5882  0.0219 -0.3094
+ 5248TIP3   OH217191   3.393   5.612   1.320  0.1986  0.0017  0.5015
+ 5248TIP3    H117192   3.354   5.627   1.234 -1.2419 -2.5230  0.6460
+ 5248TIP3    H217193   3.332   5.651   1.382  0.6550  0.7995  0.4580
+ 5249TIP3   OH217194   4.741   0.092   1.415 -0.4428 -0.6672  0.1675
+ 5249TIP3    H117195   4.690   0.013   1.433 -1.7801  0.1450  0.0209
+ 5249TIP3    H217196   4.700   0.130   1.337 -0.0222  0.3361  0.4303
+ 5250TIP3   OH217197   2.943   0.019   2.169 -0.7862 -0.4730 -0.2308
+ 5250TIP3    H117198   2.923   0.110   2.187 -0.5187 -0.4338 -0.1291
+ 5250TIP3    H217199   3.030   0.020   2.129  0.3538 -0.8705  2.0922
+ 5251TIP3   OH217200   4.969   5.148   5.377 -0.0057 -0.1965  0.0299
+ 5251TIP3    H117201   4.943   5.073   5.323 -0.2600 -0.1669  0.1114
+ 5251TIP3    H217202   5.047   5.183   5.333 -0.3253 -0.0582 -0.4248
+ 5252TIP3   OH217203   5.910   6.435   6.774 -0.1208 -0.3574 -0.3794
+ 5252TIP3    H117204   5.833   6.378   6.766 -1.2211  0.9939  0.4443
+ 5252TIP3    H217205   5.877   6.522   6.753  1.3396  0.1481 -0.6132
+ 5253TIP3   OH217206   4.339   5.070   4.666  0.5033  0.1548 -0.2179
+ 5253TIP3    H117207   4.328   4.975   4.671 -1.0218  0.2629 -1.1291
+ 5253TIP3    H217208   4.387   5.092   4.745 -0.7360 -1.1731  0.9512
+ 5254TIP3   OH217209   0.504   4.480   4.618  0.5639  0.4192  0.0794
+ 5254TIP3    H117210   0.550   4.400   4.593 -1.4544 -0.8228  0.2000
+ 5254TIP3    H217211   0.498   4.531   4.537 -1.0732 -1.0907 -0.7859
+ 5255TIP3   OH217212   5.433   0.821   3.639 -0.0539  0.1829  0.3212
+ 5255TIP3    H117213   5.350   0.812   3.685  0.4645  1.9783  1.6364
+ 5255TIP3    H217214   5.462   0.731   3.625 -2.4407 -0.5069 -0.6264
+ 5256TIP3   OH217215   5.721   5.591   3.290  0.1482  0.4909 -0.2234
+ 5256TIP3    H117216   5.682   5.561   3.208  0.0764  1.2600 -0.4760
+ 5256TIP3    H217217   5.805   5.545   3.294 -0.1866 -0.1406 -0.3432
+ 5257TIP3   OH217218   4.627   0.036   3.487  0.0347 -0.0216 -0.6910
+ 5257TIP3    H117219   4.695   0.008   3.548  0.9516 -0.9240 -2.0950
+ 5257TIP3    H217220   4.672   0.092   3.424 -1.0366  1.4498 -0.1792
+ 5258TIP3   OH217221   5.067   2.240   2.684  0.3773  0.5798  0.1781
+ 5258TIP3    H117222   5.163   2.240   2.683  0.3855 -0.7334 -1.4801
+ 5258TIP3    H217223   5.044   2.165   2.739  0.3122  0.5358  0.0902
+ 5259TIP3   OH217224   1.858   1.188   1.793 -0.4040  0.2537  0.1005
+ 5259TIP3    H117225   1.862   1.094   1.813  0.9285 -0.1073 -1.7313
+ 5259TIP3    H217226   1.869   1.231   1.877  1.0135 -1.2274  0.7096
+ 5260TIP3   OH217227   5.322   2.193   3.702  0.4695  0.0757 -0.4789
+ 5260TIP3    H117228   5.372   2.142   3.638  0.5604 -0.0062 -0.3451
+ 5260TIP3    H217229   5.387   2.249   3.744  0.7616 -1.2010  0.8503
+ 5261TIP3   OH217230   0.208   6.067   3.784  0.1213  0.4293 -0.1581
+ 5261TIP3    H117231   0.275   6.126   3.818  1.3903 -0.7892 -0.4834
+ 5261TIP3    H217232   0.148   6.124   3.736  0.9810  1.5333  0.0523
+ 5262TIP3   OH217233   0.152   0.194   3.384  0.2320  0.4809  0.2563
+ 5262TIP3    H117234   0.136   0.201   3.290 -0.3540  2.6858  0.4914
+ 5262TIP3    H217235   0.085   0.133   3.416 -0.2249  0.5507 -0.5790
+ 5263TIP3   OH217236   6.208   5.604   2.497  0.6292  0.4767 -0.2066
+ 5263TIP3    H117237   6.179   5.595   2.588  0.1145 -1.4699 -0.5235
+ 5263TIP3    H217238   6.228   5.697   2.486 -0.4658  0.9298  1.5448
+ 5264TIP3   OH217239   3.996   6.488   4.308 -0.7191 -0.6375  0.0742
+ 5264TIP3    H117240   3.995   6.572   4.262  0.1712 -1.7775 -2.1465
+ 5264TIP3    H217241   3.956   6.427   4.246  3.3175 -2.8590 -0.5789
+ 5265TIP3   OH217242   5.317   0.490   2.967 -0.1433 -0.1020  0.0263
+ 5265TIP3    H117243   5.350   0.580   2.965 -0.9389  0.2540  1.5005
+ 5265TIP3    H217244   5.223   0.499   2.951 -0.0333 -0.7980 -1.0407
+ 5266TIP3   OH217245   6.079   4.545   5.078 -0.0136 -0.4533  0.1622
+ 5266TIP3    H117246   6.068   4.490   5.000  0.7714 -0.4653  0.0541
+ 5266TIP3    H217247   6.172   4.568   5.078 -0.5235  1.7264 -0.3743
+ 5267TIP3   OH217248   5.032   4.943   3.831 -0.1498  0.2187 -0.9596
+ 5267TIP3    H117249   4.997   5.027   3.800  0.0065  0.5100 -0.3537
+ 5267TIP3    H217250   4.998   4.934   3.920 -0.2709 -0.4235 -1.0729
+ 5268TIP3   OH217251   5.722   0.083   4.875 -0.3709 -0.0095 -0.0239
+ 5268TIP3    H117252   5.748   0.155   4.933 -0.9624 -0.8390  1.2985
+ 5268TIP3    H217253   5.804   0.041   4.851 -0.0850  0.6186 -0.1615
+ 5269TIP3   OH217254   4.056   0.956   1.654 -0.5767  0.1132 -0.8282
+ 5269TIP3    H117255   4.023   1.046   1.648 -0.2680  0.2927  0.0771
+ 5269TIP3    H217256   4.092   0.938   1.568 -0.4069  0.9587 -0.9437
+ 5270TIP3   OH217257   6.210   0.866   3.160 -0.5165  0.3202 -0.2947
+ 5270TIP3    H117258   6.197   0.904   3.247 -0.1237 -0.6093  0.1732
+ 5270TIP3    H217259   6.186   0.774   3.170  2.1065 -0.4261 -0.4850
+ 5271TIP3   OH217260   4.845   2.058   4.231 -0.1460  0.3259 -0.0591
+ 5271TIP3    H117261   4.904   1.986   4.253  1.6495  1.9975  0.7630
+ 5271TIP3    H217262   4.897   2.114   4.173 -1.8644  0.4702 -1.5295
+ 5272TIP3   OH217263   0.777   0.033   2.464  0.4191 -0.4139  0.1160
+ 5272TIP3    H117264   0.701  -0.025   2.461 -0.1139  0.2938 -0.1494
+ 5272TIP3    H217265   0.814   0.030   2.376  1.4618 -1.7460  0.5718
+ 5273TIP3   OH217266   6.877   6.370   0.268 -0.0930  0.6977  0.2333
+ 5273TIP3    H117267   6.849   6.290   0.313  0.3358  0.1602 -0.4525
+ 5273TIP3    H217268   6.878   6.437   0.337 -0.5250  0.1367  0.7950
+ 5274TIP3   OH217269   5.013   1.478   3.691 -0.3361  0.0641 -0.6589
+ 5274TIP3    H117270   4.990   1.462   3.782 -0.8667 -0.3179 -0.8645
+ 5274TIP3    H217271   4.939   1.526   3.655  0.0064  0.4928 -0.8135
+ 5275TIP3   OH217272   6.201   0.962   3.415  0.4410 -0.3455  0.3483
+ 5275TIP3    H117273   6.204   1.024   3.488 -1.0810 -0.8858  0.8911
+ 5275TIP3    H217274   6.261   0.892   3.441  1.4514  0.4330  0.1524
+ 5276TIP3   OH217275   4.763   0.215   5.365 -0.2941 -0.2444 -0.4520
+ 5276TIP3    H117276   4.685   0.262   5.337 -0.4849 -1.2188 -1.6082
+ 5276TIP3    H217277   4.782   0.250   5.452  0.0876  2.5707 -1.6075
+ 5277TIP3   OH217278   6.153   5.384   1.421 -0.1379 -0.3344  0.5076
+ 5277TIP3    H117279   6.209   5.445   1.469 -0.9698  0.7884  0.0733
+ 5277TIP3    H217280   6.105   5.439   1.360 -1.2991 -1.3580  0.4855
+ 5278TIP3   OH217281   6.842   6.326   2.347  0.9220 -0.0261 -0.3275
+ 5278TIP3    H117282   6.935   6.341   2.332  1.7395 -3.6286  0.4990
+ 5278TIP3    H217283   6.800   6.348   2.264  2.6626  0.6399 -1.0512
+ 5279TIP3   OH217284   6.025   6.298   4.439 -0.9474 -0.0647 -0.5236
+ 5279TIP3    H117285   6.040   6.204   4.441 -5.0238 -0.8181  1.2974
+ 5279TIP3    H217286   6.072   6.332   4.515 -0.8389 -0.9182 -0.2045
+ 5280TIP3   OH217287   4.623   6.240   1.308  0.0817  0.0420 -0.0401
+ 5280TIP3    H117288   4.643   6.160   1.259 -1.0815  1.3294 -2.7118
+ 5280TIP3    H217289   4.706   6.289   1.307  0.3021 -0.3199  0.0759
+ 5281TIP3   OH217290   5.287   4.616   3.356 -0.3849  0.0733 -0.0282
+ 5281TIP3    H117291   5.318   4.692   3.406 -0.3248 -0.4242  0.7028
+ 5281TIP3    H217292   5.217   4.580   3.411 -0.4326 -0.3801 -0.3914
+ 5282TIP3   OH217293   5.819   6.495   2.150  0.3853 -0.1704 -0.1949
+ 5282TIP3    H117294   5.833   6.567   2.089  1.1849  1.1032  1.4670
+ 5282TIP3    H217295   5.731   6.508   2.184  1.5533  1.6960  2.2383
+ 5283TIP3   OH217296   6.442   0.073   5.079  0.4784 -0.4024  0.2801
+ 5283TIP3    H117297   6.495   0.147   5.049  0.7481 -1.1058 -1.0206
+ 5283TIP3    H217298   6.500   0.024   5.137  0.7388 -0.2941  0.1134
+ 5284TIP3   OH217299   4.964   6.279   2.378 -0.1699 -0.1708 -0.3643
+ 5284TIP3    H117300   4.958   6.328   2.460 -0.5300 -1.7728  0.5879
+ 5284TIP3    H217301   4.931   6.191   2.399 -1.6878 -0.1852 -2.6025
+ 5285TIP3   OH217302   3.306   5.486   2.412  0.2454 -0.4622  0.6357
+ 5285TIP3    H117303   3.334   5.475   2.503 -1.7143  0.5862  1.4044
+ 5285TIP3    H217304   3.210   5.484   2.416  0.1336 -0.3274 -1.3985
+ 5286TIP3   OH217305   4.572   0.121   2.865  0.3720 -0.0562  0.4685
+ 5286TIP3    H117306   4.482   0.097   2.843  0.6693 -0.5185 -0.2550
+ 5286TIP3    H217307   4.626   0.060   2.815  1.0742 -0.3319  1.5567
+ 5287TIP3   OH217308   5.556   0.545   3.816 -0.3947 -0.2191  0.5313
+ 5287TIP3    H117309   5.471   0.562   3.856 -0.7206  0.1664 -0.3180
+ 5287TIP3    H217310   5.541   0.555   3.722  0.9521  1.5773  0.4701
+ 5288TIP3   OH217311   5.819   6.614   2.793  0.0134 -0.4365  0.7389
+ 5288TIP3    H117312   5.750   6.631   2.856 -0.0307 -0.2765  0.6476
+ 5288TIP3    H217313   5.897   6.656   2.830  0.1492 -0.9396  1.0242
+ 5289TIP3   OH217314   6.483   5.971   3.745  0.1059  0.2038  0.3127
+ 5289TIP3    H117315   6.453   5.905   3.808  0.9524 -0.4329  0.0520
+ 5289TIP3    H217316   6.576   5.981   3.764  0.4927 -0.4165 -1.2369
+ 5290TIP3   OH217317   6.272   0.618   2.981 -0.0774  0.1298  0.1110
+ 5290TIP3    H117318   6.329   0.565   2.924 -0.1678 -2.2994  2.1905
+ 5290TIP3    H217319   6.221   0.672   2.920  1.8377 -0.3047 -1.9600
+ 5291TIP3   OH217320   0.666   5.406   1.731 -0.0407 -0.3942 -0.4260
+ 5291TIP3    H117321   0.615   5.345   1.784  2.2294 -1.1149  0.9994
+ 5291TIP3    H217322   0.735   5.437   1.790 -0.3393  2.5309 -1.5170
+ 5292TIP3   OH217323   4.059   0.694   4.708  0.7920  0.6248  0.8027
+ 5292TIP3    H117324   4.083   0.729   4.622  2.0258 -1.5039  0.2456
+ 5292TIP3    H217325   4.133   0.638   4.733 -0.6768 -0.8148  2.0666
+ 5293TIP3   OH217326  -0.011   6.862   2.945 -0.5046 -0.0679 -0.1064
+ 5293TIP3    H117327   0.025   6.825   2.864  0.3981 -0.4991  0.4832
+ 5293TIP3    H217328   0.001   6.793   3.010  0.0871  0.8082  0.7316
+ 5294TIP3   OH217329   4.430   5.659   3.767  0.2808  0.4164  0.3694
+ 5294TIP3    H117330   4.429   5.568   3.798  1.3604  1.4925  3.7945
+ 5294TIP3    H217331   4.340   5.688   3.775  0.4047  0.4375  1.8920
+ 5295TIP3   OH217332   6.719   0.800   4.850 -0.0770  0.1912  0.2956
+ 5295TIP3    H117333   6.741   0.709   4.871  2.0379  0.7027  0.4621
+ 5295TIP3    H217334   6.744   0.850   4.928  0.3435  1.1018 -0.4007
+ 5296TIP3   OH217335   6.047   0.261   6.126 -0.4191  0.4850  0.2896
+ 5296TIP3    H117336   6.045   0.282   6.219  0.3938  2.9580 -0.2249
+ 5296TIP3    H217337   5.955   0.255   6.100 -0.6435  0.2289  1.1383
+ 5297TIP3   OH217338   6.700   0.377   5.249  0.2412  0.0630  0.6051
+ 5297TIP3    H117339   6.608   0.355   5.237 -0.3466  0.9826  3.0867
+ 5297TIP3    H217340   6.700   0.441   5.320  2.8117 -0.1057  0.8003
+ 5298TIP3   OH217341   6.131   0.776   4.440 -0.1378 -0.1887 -0.7095
+ 5298TIP3    H117342   6.187   0.808   4.511  0.4932  1.0878 -1.7427
+ 5298TIP3    H217343   6.151   0.683   4.433 -2.2812 -0.9721  2.6303
+ 5299TIP3   OH217344   6.555   1.107   4.837 -0.5759  0.1672 -0.5119
+ 5299TIP3    H117345   6.568   1.193   4.797 -0.1421  0.7036  0.7583
+ 5299TIP3    H217346   6.628   1.098   4.898 -1.9604 -0.0478  1.1491
+ 5300TIP3   OH217347   3.791   2.173   5.305  0.2148 -0.0726  0.3597
+ 5300TIP3    H117348   3.766   2.219   5.225  2.2432 -0.1967 -0.3619
+ 5300TIP3    H217349   3.720   2.111   5.320 -0.4009  0.2549 -1.1043
+ 5301TIP3   OH217350   5.434   5.243   1.558  0.0143  0.8597 -0.3332
+ 5301TIP3    H117351   5.502   5.183   1.586  0.6952  1.9180  0.3495
+ 5301TIP3    H217352   5.470   5.288   1.482 -1.1057 -0.6898 -1.8000
+ 5302TIP3   OH217353   6.254   0.538   4.370  0.0393 -0.1381 -0.2534
+ 5302TIP3    H117354   6.289   0.461   4.414 -1.4874 -1.9641 -2.1323
+ 5302TIP3    H217355   6.313   0.553   4.296 -0.7824 -0.7062 -1.0283
+ 5303TIP3   OH217356   6.638   6.072   4.974 -0.0924  0.5021  0.2450
+ 5303TIP3    H117357   6.680   6.103   5.054  2.1836 -1.4524 -0.1209
+ 5303TIP3    H217358   6.568   6.014   5.005 -0.1694  0.8973  0.8201
+ 5304TIP3   OH217359   5.986   0.650   1.551  0.0359  0.2828  0.3821
+ 5304TIP3    H117360   6.040   0.575   1.527 -0.6259 -0.1865  0.3367
+ 5304TIP3    H217361   5.961   0.633   1.642  0.0709  0.5641  0.4461
+ 5305TIP3   OH217362   5.290   5.205   3.401 -0.1179  0.7436 -0.0817
+ 5305TIP3    H117363   5.318   5.119   3.369 -1.2635  0.4751 -0.3825
+ 5305TIP3    H217364   5.351   5.267   3.361 -0.2577  0.2202 -1.1235
+ 5306TIP3   OH217365   6.601   6.369   4.824 -0.1905 -0.4161 -0.4610
+ 5306TIP3    H117366   6.671   6.325   4.775  1.9492  0.5794  1.5821
+ 5306TIP3    H217367   6.605   6.331   4.912  0.6065  2.5597  0.8802
+ 5307TIP3   OH217368   0.657   6.537   2.796  0.0084  0.4480  0.2913
+ 5307TIP3    H117369   0.651   6.559   2.889  1.2092  0.5143  0.3523
+ 5307TIP3    H217370   0.735   6.583   2.765 -0.1411  0.0746 -0.6581
+ 5308TIP3   OH217371   1.080   4.067   3.663 -0.1821 -0.7379  0.5300
+ 5308TIP3    H117372   1.126   4.098   3.741  1.2540  0.6389 -0.8046
+ 5308TIP3    H217373   1.150   4.047   3.601 -1.2616 -2.8114 -0.0627
+ 5309TIP3   OH217374   4.165   0.227   4.280  0.6589  0.3323 -0.0217
+ 5309TIP3    H117375   4.091   0.184   4.323  1.2853 -0.1351  0.5882
+ 5309TIP3    H217376   4.189   0.167   4.209  1.0100  0.0760  0.3182
+ 5310TIP3   OH217377   5.296   0.501   2.661  0.2684  0.2700  0.4232
+ 5310TIP3    H117378   5.273   0.476   2.751 -0.2494 -0.5376  0.0707
+ 5310TIP3    H217379   5.376   0.553   2.671 -0.9853  2.0598  1.5439
+ 5311TIP3   OH217380   6.568   6.577   2.525  0.1501 -0.1157 -0.2073
+ 5311TIP3    H117381   6.611   6.567   2.610  1.9683 -0.6397 -1.1488
+ 5311TIP3    H217382   6.553   6.671   2.516  0.5262  0.0067  0.4127
+ 5312TIP3   OH217383   6.278   5.711   1.381  0.2538  0.0655  0.7867
+ 5312TIP3    H117384   6.346   5.644   1.392 -0.3074 -0.7757 -0.7459
+ 5312TIP3    H217385   6.206   5.681   1.437  1.7206  1.8518  3.7933
+ 5313TIP3   OH217386   5.194   0.460   3.386 -0.2485 -0.7140  0.0127
+ 5313TIP3    H117387   5.194   0.549   3.352  0.0064 -0.6780  0.1048
+ 5313TIP3    H217388   5.163   0.468   3.476 -0.5689 -0.7643 -0.0910
+ 5314TIP3   OH217389   4.392   6.474   4.898  0.5186 -0.6487  0.2127
+ 5314TIP3    H117390   4.357   6.563   4.907  0.1765 -0.7237 -0.3232
+ 5314TIP3    H217391   4.485   6.487   4.881  0.5302 -0.4042  0.4455
+ 5315TIP3   OH217392   5.113   6.784   3.633 -0.0382  0.0219 -0.1516
+ 5315TIP3    H117393   5.185   6.721   3.626  0.1379  0.0809  1.1880
+ 5315TIP3    H217394   5.154   6.869   3.619 -0.2381 -0.1112 -1.7187
+ 5316TIP3   OH217395   0.691   6.515   3.079  0.2016  0.4252 -0.0898
+ 5316TIP3    H117396   0.779   6.511   3.116 -0.3432  0.0383  1.1964
+ 5316TIP3    H217397   0.651   6.431   3.101 -0.0842  0.0898 -1.7586
+ 5317TIP3   OH217398   5.989   5.733   5.204 -0.1504  0.1790 -0.1102
+ 5317TIP3    H117399   6.001   5.777   5.288  1.7139  0.0691 -0.3117
+ 5317TIP3    H217400   5.953   5.800   5.147  0.1623  0.7126  0.3160
+ 5318TIP3   OH217401   3.940   0.306   2.827  0.2445  0.0102 -0.0221
+ 5318TIP3    H117402   3.995   0.374   2.788  1.8887 -1.0274  0.4684
+ 5318TIP3    H217403   3.960   0.227   2.777 -0.4253 -0.4945  0.4947
+ 5319TIP3   OH217404   4.708   5.970   2.905 -0.1165  0.2060 -0.5921
+ 5319TIP3    H117405   4.742   5.907   2.840 -0.0673  0.7569 -1.1052
+ 5319TIP3    H217406   4.779   5.980   2.968 -0.3915 -0.8071 -0.1011
+ 5320TIP3   OH217407   5.776   4.730   1.771 -0.0620  0.0890 -0.0473
+ 5320TIP3    H117408   5.756   4.679   1.849 -0.3111  1.0691  0.5359
+ 5320TIP3    H217409   5.844   4.791   1.798  0.4746 -0.1602 -0.8295
+ 5321TIP3   OH217410   4.879   6.194   1.720  0.6902  0.1710 -0.3817
+ 5321TIP3    H117411   4.951   6.131   1.720 -0.0794 -0.8328  2.6761
+ 5321TIP3    H217412   4.808   6.147   1.676  0.1990 -1.1154  1.6583
+ 5322TIP3   OH217413   6.463   5.190   5.523 -0.8112  0.2960  0.4536
+ 5322TIP3    H117414   6.417   5.151   5.449  0.3330 -0.6358  0.2086
+ 5322TIP3    H217415   6.480   5.117   5.582 -2.6926  1.2220  2.1931
+ 5323TIP3   OH217416   5.581   6.039   1.954  0.4833  0.1360  0.0054
+ 5323TIP3    H117417   5.531   5.962   1.978  1.0283 -0.6866 -1.4408
+ 5323TIP3    H217418   5.609   6.077   2.037 -1.6557  0.0435  0.8072
+ 5324TIP3   OH217419   1.198   6.491   4.408 -0.0496 -0.1962 -0.3469
+ 5324TIP3    H117420   1.283   6.528   4.382 -0.0035 -0.6703 -0.8801
+ 5324TIP3    H217421   1.166   6.550   4.476  0.4982  0.2445 -0.4692
+ 5325TIP3   OH217422   5.106   6.897   3.299 -0.1354  0.1830 -0.2219
+ 5325TIP3    H117423   5.155   6.822   3.267  1.9562  1.9779 -1.3460
+ 5325TIP3    H217424   5.149   6.973   3.260 -2.1446  1.9942  0.9397
+ 5326TIP3   OH217425   4.787   0.700   3.458  0.1213 -0.5391  0.3586
+ 5326TIP3    H117426   4.810   0.752   3.381  0.3729 -0.3869  0.5359
+ 5326TIP3    H217427   4.845   0.624   3.454 -0.2643 -0.8219  0.0855
+ 5327TIP3   OH217428   0.501   3.399   0.179  0.0520  0.3667 -0.5168
+ 5327TIP3    H117429   0.422   3.452   0.181  1.1565  2.0093  0.6108
+ 5327TIP3    H217430   0.469   3.309   0.170 -1.8335  1.1885 -2.4462
+ 5328TIP3   OH217431   1.664   6.668   3.491 -0.4778 -0.1118  0.2529
+ 5328TIP3    H117432   1.574   6.650   3.461 -1.0899  2.5637  0.4094
+ 5328TIP3    H217433   1.654   6.693   3.582  0.3412  0.9949  0.0382
+ 5329TIP3   OH217434   0.464   6.084   4.370  0.1169  0.2792  0.3200
+ 5329TIP3    H117435   0.417   6.046   4.444  0.9936 -0.5969  0.4390
+ 5329TIP3    H217436   0.397   6.099   4.303 -0.3528 -0.8218  0.5360
+ 5330TIP3   OH217437   5.852   6.072   4.283 -0.1392 -0.3195 -0.5786
+ 5330TIP3    H117438   5.888   6.150   4.242  1.3078 -0.5154  0.2725
+ 5330TIP3    H217439   5.929   6.025   4.317 -1.3093  0.3915  3.3161
+ 5331TIP3   OH217440   4.268   0.142   1.271 -0.1214 -0.1534 -0.0190
+ 5331TIP3    H117441   4.196   0.117   1.212 -0.0717 -0.5588  0.0914
+ 5331TIP3    H217442   4.340   0.164   1.212 -0.2051 -0.1470 -0.1207
+ 5332TIP3   OH217443   5.350   6.727   3.282 -0.3615 -0.5482 -0.6816
+ 5332TIP3    H117444   5.413   6.692   3.219 -0.5281 -0.4987 -0.8758
+ 5332TIP3    H217445   5.401   6.738   3.362 -0.8608 -3.6748  0.1543
+ 5333TIP3   OH217446   6.853   6.259   3.415  0.2945 -0.3546 -0.0346
+ 5333TIP3    H117447   6.764   6.276   3.447 -0.3083 -2.1820 -0.6940
+ 5333TIP3    H217448   6.906   6.251   3.494  0.2108  2.3214  0.3493
+ 5334TIP3   OH217449   5.994   4.634   2.012 -0.0378  0.2415  0.7141
+ 5334TIP3    H117450   6.005   4.568   2.080  1.8829  0.2764  0.4688
+ 5334TIP3    H217451   6.076   4.683   2.012  0.7334 -0.9145 -2.8355
+ 5335TIP3   OH217452   0.934   0.301   3.926  0.2805  0.3278 -0.3803
+ 5335TIP3    H117453   0.942   0.330   4.017  1.0619  0.8974 -0.6263
+ 5335TIP3    H217454   0.857   0.347   3.893  0.3847  0.6400 -0.1965
+ 5336TIP3   OH217455   5.690   0.043   3.077  0.8789 -0.2116 -0.2315
+ 5336TIP3    H117456   5.737   0.124   3.059  0.5469  0.4945  1.9508
+ 5336TIP3    H217457   5.598   0.067   3.077  0.6723 -0.9804 -1.4691
+ 5337TIP3   OH217458   5.628   1.707   3.715 -0.2218  0.3909 -0.3804
+ 5337TIP3    H117459   5.570   1.633   3.731 -0.3296  0.4933 -0.2984
+ 5337TIP3    H217460   5.693   1.703   3.785  0.7881 -0.6382 -1.3609
+ 5338TIP3   OH217461   0.110   4.622   3.529 -0.6787  0.4311  0.2182
+ 5338TIP3    H117462   0.184   4.678   3.550 -0.3553  0.2305 -0.3604
+ 5338TIP3    H217463   0.044   4.681   3.493 -0.6836  0.5657  0.4471
+ 5339TIP3   OH217464   4.371   5.298   3.335  1.1508  0.4278  0.0349
+ 5339TIP3    H117465   4.298   5.345   3.374 -1.3204 -0.7098 -3.0091
+ 5339TIP3    H217466   4.419   5.365   3.287  1.5062  0.9816  1.1417
+ 5340TIP3   OH217467   5.239   0.156   4.225 -0.2041 -0.0187 -0.1053
+ 5340TIP3    H117468   5.250   0.250   4.209  0.1891 -0.4357 -2.4911
+ 5340TIP3    H217469   5.316   0.130   4.275  0.1740  0.7467 -0.2885
+ 5341TIP3   OH217470   6.151   4.794   6.816  1.0209  0.4140 -0.4121
+ 5341TIP3    H117471   6.138   4.711   6.770 -0.0829  1.3900 -1.9152
+ 5341TIP3    H217472   6.100   4.786   6.896 -0.5174  0.2660 -1.3744
+ 5342TIP3   OH217473   0.125   6.425   4.612  0.1760  0.1286  0.1511
+ 5342TIP3    H117474   0.130   6.495   4.677  0.1918  0.0372  0.2476
+ 5342TIP3    H217475   0.203   6.373   4.627 -0.0731 -0.1758  0.3793
+ 5343TIP3   OH217476   6.377   1.239   3.688 -0.1108  0.1246  0.0454
+ 5343TIP3    H117477   6.422   1.196   3.616  0.2521 -1.1303  1.0042
+ 5343TIP3    H217478   6.325   1.308   3.647  0.7825 -0.0121 -1.3141
+ 5344TIP3   OH217479   6.741   4.995   5.004  0.1600  0.9131  0.3027
+ 5344TIP3    H117480   6.817   4.993   4.946 -0.1391  1.0187 -0.0996
+ 5344TIP3    H217481   6.666   4.998   4.944 -0.1429  1.2528  0.6955
+ 5345TIP3   OH217482   5.268   0.745   5.474 -0.1081 -0.2269  0.2000
+ 5345TIP3    H117483   5.301   0.792   5.551 -0.1140 -1.7126  1.1286
+ 5345TIP3    H217484   5.197   0.691   5.507 -1.2229  0.3782 -1.1778
+ 5346TIP3   OH217485   1.881   1.186   1.110 -0.2862  0.0009 -0.0559
+ 5346TIP3    H117486   1.847   1.096   1.110  0.4287 -0.2740  0.4322
+ 5346TIP3    H217487   1.892   1.208   1.202 -0.1564  0.4783 -0.1844
+ 5347TIP3   OH217488   0.905   2.071   4.553  0.2444 -0.1958 -0.4945
+ 5347TIP3    H117489   0.924   2.163   4.538  0.5226 -0.3083 -0.8330
+ 5347TIP3    H217490   0.893   2.034   4.465 -1.0941 -0.2184 -0.3150
+ 5348TIP3   OH217491   4.856   0.730   4.145  0.6613 -0.3095  0.8991
+ 5348TIP3    H117492   4.939   0.737   4.097 -0.1165  0.0876 -0.4441
+ 5348TIP3    H217493   4.868   0.785   4.222  0.7260  1.9787 -0.6845
+ 5349TIP3   OH217494   0.906   6.903   4.747  0.3008  0.0498  0.0935
+ 5349TIP3    H117495   0.982   6.876   4.799  0.3807  0.1346  0.0212
+ 5349TIP3    H217496   0.837   6.920   4.812  0.6770  1.0693  0.2389
+ 5350TIP3   OH217497   6.124   0.117   5.336  0.4695  0.0905  0.6641
+ 5350TIP3    H117498   6.104   0.171   5.260 -0.8581 -0.3309  0.7012
+ 5350TIP3    H217499   6.153   0.179   5.403  1.8741  0.4315 -0.2489
+ 5351TIP3   OH217500   5.518   0.376   5.079 -0.1244 -0.0869 -0.1486
+ 5351TIP3    H117501   5.530   0.322   5.158 -0.6100 -0.8709 -0.6044
+ 5351TIP3    H217502   5.436   0.422   5.093 -0.7257 -0.9975 -0.6315
+ 5352TIP3   OH217503   3.170   0.860   5.990  0.1432  0.0989  0.1228
+ 5352TIP3    H117504   3.262   0.831   5.996  0.0003 -0.5889 -0.8672
+ 5352TIP3    H217505   3.124   0.784   5.955 -0.4438  1.1569 -1.4364
+ 5353TIP3   OH217506   0.278   1.237   0.176 -0.0133  0.3120  0.4348
+ 5353TIP3    H117507   0.230   1.154   0.173  0.7211 -0.0944 -0.3648
+ 5353TIP3    H217508   0.262   1.278   0.091  0.0020  0.7826  0.6559
+ 5354TIP3   OH217509   4.432   1.363   4.971 -0.4694 -0.5294 -0.0226
+ 5354TIP3    H117510   4.410   1.389   5.061 -0.6464 -0.0794 -0.1942
+ 5354TIP3    H217511   4.414   1.441   4.919  1.2677 -0.2548 -0.2149
+ 5355TIP3   OH217512   6.509   6.110   5.671  0.5992  0.0240  0.1172
+ 5355TIP3    H117513   6.562   6.173   5.719  1.1448 -0.4685  0.1664
+ 5355TIP3    H217514   6.510   6.140   5.581 -1.0762  1.3963  0.5287
+ 5356TIP3   OH217515   2.665   0.999   0.277 -0.1657 -0.1665  0.0148
+ 5356TIP3    H117516   2.674   1.013   0.372  1.3252  0.6135 -0.2295
+ 5356TIP3    H217517   2.754   0.978   0.248 -0.8656 -1.7586 -1.0047
+ 5357TIP3   OH217518   0.414   0.246   4.416  0.1662 -0.0796 -0.0857
+ 5357TIP3    H117519   0.362   0.217   4.491  0.1447 -2.4707 -0.9764
+ 5357TIP3    H217520   0.355   0.233   4.341  0.6013  1.1532 -0.6407
+ 5358TIP3   OH217521   1.347   0.103   4.277  0.1177 -0.1362  0.1668
+ 5358TIP3    H117522   1.388   0.183   4.310  1.0009 -0.5354  0.0328
+ 5358TIP3    H217523   1.316   0.126   4.190 -0.4527  0.3306  0.4855
+ 5359TIP3   OH217524   0.524   6.742   4.221 -0.5542  0.0742  0.0053
+ 5359TIP3    H117525   0.456   6.704   4.277 -0.5347  2.1584  1.5056
+ 5359TIP3    H217526   0.606   6.714   4.261 -0.5351 -0.8508 -0.6835
+ 5360TIP3   OH217527   1.321   0.984   4.820  0.3736  0.0414 -0.0919
+ 5360TIP3    H117528   1.229   0.967   4.839  0.5339  0.2774  0.9118
+ 5360TIP3    H217529   1.344   1.057   4.877  1.3029 -0.2868 -0.0467
+ 5361TIP3   OH217530   0.936   6.160   4.418 -0.3963 -0.2541 -0.3591
+ 5361TIP3    H117531   0.865   6.105   4.385 -1.4406  0.1627  1.1316
+ 5361TIP3    H217532   0.894   6.244   4.438  0.6942  0.2840 -0.2885
+ 5362TIP3   OH217533   1.867   0.592   1.076 -0.0817 -0.1451  0.3079
+ 5362TIP3    H117534   1.793   0.544   1.113 -1.0183  0.1361 -1.1562
+ 5362TIP3    H217535   1.943   0.538   1.098 -0.9416 -1.4845  0.1017
+ 5363TIP3   OH217536   2.341   2.135   4.556  0.5407 -0.3607  0.6806
+ 5363TIP3    H117537   2.414   2.159   4.499 -1.4327  1.1026 -1.3123
+ 5363TIP3    H217538   2.317   2.047   4.527 -0.3932  0.3398 -0.7503
+ 5364TIP3   OH217539   6.451   5.689   0.447  0.2538  0.0308  0.0353
+ 5364TIP3    H117540   6.385   5.639   0.400  0.5096  1.3675 -1.8114
+ 5364TIP3    H217541   6.431   5.674   0.540 -1.1537 -1.4832 -0.4878
+ 5365TIP3   OH217542   1.767   1.764   4.761  0.4262 -0.4274 -0.6392
+ 5365TIP3    H117543   1.700   1.701   4.734  0.4985 -0.0466 -1.7390
+ 5365TIP3    H217544   1.727   1.811   4.834 -0.2221 -0.7016 -0.8073
+ 5366TIP3   OH217545   1.976   0.724   0.011  0.5702 -0.0842 -0.1473
+ 5366TIP3    H117546   2.033   0.731   0.088  0.2645  1.6886 -0.0522
+ 5366TIP3    H217547   1.888   0.719   0.047  0.5890 -2.1798 -0.3172
+ 5367TIP3   OH217548   0.796   0.790   6.271  0.2280 -0.7293 -0.0340
+ 5367TIP3    H117549   0.811   0.746   6.187  0.3104 -0.2735 -0.2607
+ 5367TIP3    H217550   0.881   0.791   6.313  0.3306 -0.3287 -0.2523
+ 5368TIP3   OH217551   5.103   1.106   6.281  0.2834 -0.1302 -0.1512
+ 5368TIP3    H117552   5.042   1.171   6.315 -0.8937 -1.9027  1.2529
+ 5368TIP3    H217553   5.126   1.138   6.194 -1.4357  1.3982 -0.0780
+ 5369TIP3   OH217554   2.687   1.302   5.854  0.1679  0.4144  0.3699
+ 5369TIP3    H117555   2.726   1.237   5.913 -0.0189  0.0636  0.1035
+ 5369TIP3    H217556   2.760   1.361   5.832  0.3777  0.1927  0.4657
+ 5370TIP3   OH217557   1.066   5.588   0.603 -0.2916 -1.1341  0.6148
+ 5370TIP3    H117558   1.097   5.665   0.556  1.1981 -0.8782  1.9812
+ 5370TIP3    H217559   1.023   5.535   0.536  0.1377  0.0959 -0.6589
+ 5371TIP3   OH217560   1.378   0.806   0.616 -0.0720  0.5088  0.1556
+ 5371TIP3    H117561   1.436   0.878   0.642  1.1445 -0.4062  0.0019
+ 5371TIP3    H217562   1.426   0.761   0.546 -1.5293  0.5011 -0.8678
+ 5372TIP3   OH217563   2.750   0.160   4.351 -0.1293 -0.0211 -0.4298
+ 5372TIP3    H117564   2.828   0.145   4.404 -0.5757 -0.3710  0.1502
+ 5372TIP3    H217565   2.761   0.247   4.315  0.9669 -0.4417 -1.1262
+ 5373TIP3   OH217566   2.566   2.663   4.984 -0.3265 -0.3691  0.1142
+ 5373TIP3    H117567   2.556   2.654   4.889 -0.4774  0.6564  0.0323
+ 5373TIP3    H217568   2.541   2.753   5.003  1.5146 -0.0056  0.8850
+ 5374TIP3   OH217569   0.989   6.693   4.556  0.3429 -0.4039  0.5863
+ 5374TIP3    H117570   0.985   6.749   4.633 -0.4669  3.3427 -2.0734
+ 5374TIP3    H217571   0.927   6.622   4.574  0.3940  0.2514  3.4629
+ 5375TIP3   OH217572   6.930   6.191   6.139  0.0266 -0.3767 -0.0394
+ 5375TIP3    H117573   6.875   6.264   6.166 -0.4647 -0.0830 -1.7437
+ 5375TIP3    H217574   6.880   6.113   6.161  0.3102 -0.1927  1.2831
+ 5376TIP3   OH217575   0.896   5.393   3.883 -0.0140  0.4782  0.1666
+ 5376TIP3    H117576   0.990   5.402   3.868  0.1836 -1.0391  0.4254
+ 5376TIP3    H217577   0.885   5.302   3.909 -1.2617  1.2380  2.4451
+ 5377TIP3   OH217578   3.045   2.041   6.157 -0.4284 -0.1966  0.0669
+ 5377TIP3    H117579   3.087   2.068   6.075 -1.7441 -0.2323 -0.6224
+ 5377TIP3    H217580   3.105   2.072   6.225 -0.4284  1.8794 -0.8165
+ 5378TIP3   OH217581   2.173   0.266   2.760 -0.0839  0.2891 -0.3961
+ 5378TIP3    H117582   2.185   0.334   2.827 -0.8025  0.8706 -0.8568
+ 5378TIP3    H217583   2.208   0.187   2.800  2.4200  1.2929 -0.5074
+ 5379TIP3   OH217584   1.744   1.178   0.461 -0.0044  0.5233 -0.1558
+ 5379TIP3    H117585   1.749   1.082   0.464  0.5568  0.3484 -4.1706
+ 5379TIP3    H217586   1.657   1.198   0.496 -1.5720 -1.7568 -2.5082
+ 5380TIP3   OH217587   5.709   5.485   6.856 -0.0577 -0.0654 -0.3720
+ 5380TIP3    H117588   5.645   5.555   6.870  0.4148  0.2644  0.1604
+ 5380TIP3    H217589   5.681   5.443   6.775 -0.5434  0.5246 -0.5173
+ 5381TIP3   OH217590   4.578   5.594   0.904  0.3373 -0.4660 -0.5219
+ 5381TIP3    H117591   4.536   5.667   0.858 -0.9542 -0.1115  1.1938
+ 5381TIP3    H217592   4.651   5.635   0.951 -0.2646 -0.3046  0.2784
+ 5382TIP3   OH217593   0.010   1.451   5.068 -0.0618 -0.6078  0.7386
+ 5382TIP3    H117594  -0.033   1.529   5.102  0.8347  0.6158 -0.8370
+ 5382TIP3    H217595   0.084   1.485   5.018  0.5293 -2.4949  0.2930
+ 5383TIP3   OH217596   0.474   2.070   6.811 -0.0195 -0.1922  0.0072
+ 5383TIP3    H117597   0.421   2.067   6.732  1.4322 -0.5809 -0.9607
+ 5383TIP3    H217598   0.456   1.987   6.855  0.3047 -0.6087 -0.6527
+ 5384TIP3   OH217599   0.233   0.377   6.036 -0.4784 -0.4674 -0.1713
+ 5384TIP3    H117600   0.247   0.375   6.131  0.6646  0.1014 -0.3249
+ 5384TIP3    H217601   0.310   0.422   6.001 -0.5338 -1.3162 -1.4337
+ 5385TIP3   OH217602   3.719   1.278   4.017 -0.6046  0.1773 -0.1533
+ 5385TIP3    H117603   3.793   1.253   3.962  0.0139  0.3608  0.5977
+ 5385TIP3    H217604   3.642   1.264   3.961  0.1012  1.4288 -1.4381
+ 5386TIP3   OH217605   6.823   0.037   6.170  0.1032 -0.6026  0.2332
+ 5386TIP3    H117606   6.846   0.113   6.116 -1.8417 -0.4040 -0.3585
+ 5386TIP3    H217607   6.741   0.062   6.212 -0.2933 -2.1904  0.4283
+ 5387TIP3   OH217608   6.640   0.732   3.752 -0.5747 -0.0310 -0.1125
+ 5387TIP3    H117609   6.718   0.778   3.720 -0.6155 -2.1558 -3.6063
+ 5387TIP3    H217610   6.668   0.692   3.834  1.8803 -0.2817 -1.0252
+ 5388TIP3   OH217611   1.390   3.023   5.168  0.0091  0.3987 -0.3168
+ 5388TIP3    H117612   1.342   3.016   5.086 -0.8541 -0.8703  0.2815
+ 5388TIP3    H217613   1.465   2.964   5.158  0.6551  1.2767 -0.7001
+ 5389TIP3   OH217614   1.322   6.302   5.217 -0.3742  0.5635  0.3352
+ 5389TIP3    H117615   1.391   6.366   5.205  0.8706 -0.6703  0.7550
+ 5389TIP3    H217616   1.368   6.219   5.229 -1.9579 -1.0409 -3.7040
+ 5390TIP3   OH217617   1.127   0.721   4.775  0.1270 -0.2991  0.0450
+ 5390TIP3    H117618   1.081   0.711   4.692  0.9333 -1.9176 -0.2277
+ 5390TIP3    H217619   1.212   0.679   4.761  0.9057  0.8448  1.1800
+ 5391TIP3   OH217620   0.744   1.335   2.551  0.3245  0.1609 -0.2484
+ 5391TIP3    H117621   0.759   1.247   2.585  2.2667 -0.4284 -2.4964
+ 5391TIP3    H217622   0.669   1.325   2.492 -0.5190  0.3935  0.7526
+ 5392TIP3   OH217623   0.054   1.669   6.147 -0.1948 -0.1485  0.4769
+ 5392TIP3    H117624  -0.019   1.615   6.117 -0.0891 -0.5760  0.9852
+ 5392TIP3    H217625   0.111   1.677   6.071 -1.2463  1.0007 -0.2135
+ 5393TIP3   OH217626   1.038   0.500   4.931  0.0135 -0.0296 -0.5242
+ 5393TIP3    H117627   1.060   0.552   4.853 -0.2294  2.4107  0.9726
+ 5393TIP3    H217628   0.943   0.493   4.930 -0.1073  1.3036  0.3243
+ 5394TIP3   OH217629   6.635   1.060   5.679  0.4063  0.2953 -0.2758
+ 5394TIP3    H117630   6.597   1.077   5.765 -1.5838  0.4259 -1.1732
+ 5394TIP3    H217631   6.560   1.046   5.622  1.7316 -0.1392 -1.9271
+ 5395TIP3   OH217632   1.871   3.429   6.011  0.0781 -0.3457 -0.2229
+ 5395TIP3    H117633   1.795   3.483   6.032  1.5274  1.4873  0.4422
+ 5395TIP3    H217634   1.834   3.345   5.984 -2.1714  0.5002  0.1196
+ 5396TIP3   OH217635   0.081   0.216   3.109 -0.5881  0.1927  0.3112
+ 5396TIP3    H117636   0.045   0.139   3.065 -2.0642 -0.4252  2.4992
+ 5396TIP3    H217637   0.017   0.285   3.094 -1.7972 -0.3799  2.5364
+ 5397TIP3   OH217638   6.407   0.331   2.447  0.3114 -0.0082  0.8845
+ 5397TIP3    H117639   6.483   0.284   2.482  1.4493  1.8802  0.9642
+ 5397TIP3    H217640   6.395   0.405   2.506 -0.9932  0.2778  0.2778
+ 5398TIP3   OH217641   1.053   5.783   4.155  0.2683 -0.0740 -0.2118
+ 5398TIP3    H117642   1.106   5.840   4.099  0.2066  0.8012  0.6223
+ 5398TIP3    H217643   0.965   5.789   4.118  0.2950  0.2302 -0.2304
+ 5399TIP3   OH217644   0.732   5.898   3.392 -0.6357  0.4162 -0.0043
+ 5399TIP3    H117645   0.651   5.907   3.342 -0.6644 -0.8177 -0.2050
+ 5399TIP3    H217646   0.762   5.809   3.372  0.9295  0.9867 -0.1769
+ 5400TIP3   OH217647   2.051   0.850   5.968 -0.0611  0.1111 -0.4674
+ 5400TIP3    H117648   2.090   0.764   5.987 -0.6007 -0.5326 -2.1098
+ 5400TIP3    H217649   2.022   0.842   5.877 -0.0340  2.0797 -0.6592
+ 5401TIP3   OH217650   2.080   2.721   2.712  0.3100  0.2750  0.8863
+ 5401TIP3    H117651   2.174   2.732   2.721  0.1237  3.1202 -0.0617
+ 5401TIP3    H217652   2.042   2.783   2.774 -0.9151  0.1317  0.2985
+ 5402TIP3   OH217653   0.826   0.640   5.496  0.2314 -0.0168  0.6768
+ 5402TIP3    H117654   0.894   0.598   5.443  1.5648 -0.2167  2.5149
+ 5402TIP3    H217655   0.873   0.703   5.550 -1.0502 -0.1703  1.9780
+ 5403TIP3   OH217656   1.847   5.616   1.478 -0.0107  0.5224 -0.4164
+ 5403TIP3    H117657   1.900   5.666   1.417 -0.9671  2.6043  0.4147
+ 5403TIP3    H217658   1.901   5.608   1.557  1.1303 -1.9631 -1.3906
+ 5404TIP3   OH217659   0.517   0.390   5.260  0.4961 -0.6327  0.2504
+ 5404TIP3    H117660   0.506   0.313   5.315  0.1903  0.0949  1.2361
+ 5404TIP3    H217661   0.609   0.388   5.233  0.4585 -1.3956  0.1804
+ 5405TIP3   OH217662   3.638   0.829   4.958 -0.2727 -0.4919 -0.8966
+ 5405TIP3    H117663   3.613   0.890   4.888 -2.4063 -2.5262 -1.9869
+ 5405TIP3    H217664   3.733   0.826   4.954  0.0601  4.0931  0.3692
+ 5406TIP3   OH217665   6.154   0.638   6.536 -0.3004 -0.5067  0.0385
+ 5406TIP3    H117666   6.067   0.669   6.561  0.0162  0.4512  0.0102
+ 5406TIP3    H217667   6.194   0.611   6.619 -0.4412 -0.4442  0.1271
+ 5407TIP3   OH217668   0.765   1.456   6.240 -0.2185 -0.4777  0.1934
+ 5407TIP3    H117669   0.701   1.475   6.171 -0.1275  0.3226  0.3230
+ 5407TIP3    H217670   0.717   1.401   6.302 -0.6860 -0.1585  0.1233
+ 5408TIP3   OH217671   6.830   2.101   3.923 -0.0845  0.6283 -0.0190
+ 5408TIP3    H117672   6.822   2.134   3.834  1.2814  0.2907 -0.2727
+ 5408TIP3    H217673   6.903   2.039   3.920 -0.5041  0.0598  1.1685
+ 5409TIP3   OH217674   0.173   6.754   6.095 -0.1724 -0.2515 -0.4161
+ 5409TIP3    H117675   0.183   6.768   6.189  1.1252  1.9925 -0.8634
+ 5409TIP3    H217676   0.089   6.794   6.074 -1.0307 -1.7999 -0.0421
+ 5410TIP3   OH217677   1.976   1.099   1.524 -0.4341  0.2374  0.2368
+ 5410TIP3    H117678   1.920   1.127   1.596  1.6114 -2.6671  3.1259
+ 5410TIP3    H217679   1.942   1.013   1.499  0.5504  0.0158 -0.3673
+ 5411TIP3   OH217680   1.444   0.770   6.284  0.0928 -0.0098 -0.0729
+ 5411TIP3    H117681   1.360   0.811   6.263  0.0897 -0.0858 -0.2116
+ 5411TIP3    H217682   1.462   0.713   6.209  0.4953  0.3583 -0.2597
+ 5412TIP3   OH217683   6.650   1.340   2.195 -0.3764 -0.0314 -0.1492
+ 5412TIP3    H117684   6.745   1.345   2.208 -0.5031  0.8697  0.4930
+ 5412TIP3    H217685   6.618   1.425   2.226 -1.4720 -0.6197  0.3416
+ 5413TIP3   OH217686   5.649   1.146   5.598 -0.3198 -0.0385  0.3686
+ 5413TIP3    H117687   5.577   1.187   5.646 -0.7057  1.5952 -1.4984
+ 5413TIP3    H217688   5.718   1.212   5.598 -0.1203 -0.2376 -0.7723
+ 5414TIP3   OH217689   5.730   6.290   4.438  0.3991 -0.5688  0.6739
+ 5414TIP3    H117690   5.792   6.349   4.479 -0.3550  0.1610  0.7610
+ 5414TIP3    H217691   5.782   6.212   4.417  1.3046 -0.0294  0.8883
+ 5415TIP3   OH217692   5.057   5.416   0.273 -0.3047 -0.3394  0.2107
+ 5415TIP3    H117693   5.081   5.378   0.188 -0.9279  0.0527 -0.1381
+ 5415TIP3    H217694   5.068   5.344   0.335 -0.9041 -0.9226 -0.3600
+ 5416TIP3   OH217695   3.142   5.373   5.093 -0.8563 -0.5579 -0.0836
+ 5416TIP3    H117696   3.051   5.343   5.095 -0.9201 -0.3433  0.2253
+ 5416TIP3    H217697   3.168   5.365   5.001 -0.7816 -1.8464  0.0294
+ 5417TIP3   OH217698   0.567   1.157   5.123  0.0065 -0.0720  0.1025
+ 5417TIP3    H117699   0.642   1.207   5.090 -0.1763  0.6047  0.6996
+ 5417TIP3    H217700   0.519   1.131   5.045  0.0740  0.7404 -0.2144
+ 5418TIP3   OH217701   1.355   2.302   3.108  0.1620 -0.0689 -0.7146
+ 5418TIP3    H117702   1.278   2.308   3.051  0.4556  1.5356 -0.9594
+ 5418TIP3    H217703   1.422   2.354   3.064  0.5353  0.8199  0.8542
+ 5419TIP3   OH217704   0.677   0.336   3.754 -0.4360  0.1857 -0.3491
+ 5419TIP3    H117705   0.656   0.290   3.673 -1.7488  0.6544 -0.2912
+ 5419TIP3    H217706   0.674   0.428   3.730  1.9670  0.2850 -0.4105
+ 5420TIP3   OH217707   1.427   1.425   1.364  0.1623  0.0705 -0.3444
+ 5420TIP3    H117708   1.357   1.486   1.339  0.0513 -0.8329 -2.2918
+ 5420TIP3    H217709   1.507   1.471   1.340  0.2459  0.7903  1.2051
+ 5421TIP3   OH217710   5.621   0.904   4.646  0.5858  0.1639 -0.0862
+ 5421TIP3    H117711   5.674   0.833   4.609  1.1708  0.3739  0.3338
+ 5421TIP3    H217712   5.630   0.892   4.741  0.8784  0.9360 -0.0119
+ 5422TIP3   OH217713   2.329   2.852   5.906  0.0158  0.0171  0.3732
+ 5422TIP3    H117714   2.241   2.815   5.899 -0.8967  2.1642  0.3520
+ 5422TIP3    H217715   2.387   2.781   5.878 -1.8134 -0.8037 -1.4051
+ 5423TIP3   OH217716   5.561   0.872   5.270 -0.0467  0.1822  0.1771
+ 5423TIP3    H117717   5.577   0.779   5.283  1.8547  0.7677  2.4637
+ 5423TIP3    H217718   5.649   0.910   5.263 -0.7650  1.9113  0.3713
+ 5424TIP3   OH217719   0.158   6.661   6.377 -0.4029  0.3446 -0.2540
+ 5424TIP3    H117720   0.240   6.697   6.412 -1.3349  0.2965  2.0827
+ 5424TIP3    H217721   0.123   6.608   6.448 -1.4866 -1.2482 -1.9380
+ 5425TIP3   OH217722   6.479   0.146   6.560 -0.1878  0.3501  0.1499
+ 5425TIP3    H117723   6.500   0.070   6.506 -0.5381  0.3948 -0.0548
+ 5425TIP3    H217724   6.556   0.159   6.615  0.3744  0.6051 -0.6869
+ 5426TIP3   OH217725   1.371   0.167   3.092 -0.3141 -0.4067  0.2703
+ 5426TIP3    H117726   1.465   0.156   3.078 -0.1974 -0.8108  1.3317
+ 5426TIP3    H217727   1.335   0.080   3.074 -0.4907 -0.2434 -0.1675
+ 5427TIP3   OH217728   6.426   2.407   4.594  1.1150 -0.1494 -0.5771
+ 5427TIP3    H117729   6.511   2.395   4.552  0.5870  2.0442 -2.3532
+ 5427TIP3    H217730   6.445   2.466   4.667  1.0883  0.5257 -1.1112
+ 5428TIP3   OH217731   1.786   1.169   5.878  0.4210 -0.1120  0.0891
+ 5428TIP3    H117732   1.833   1.160   5.796  1.2548  0.2537  0.5207
+ 5428TIP3    H217733   1.852   1.154   5.946 -1.0006 -4.2296  0.7161
+ 5429TIP3   OH217734   0.567   1.292   5.544 -0.7304 -0.6197  0.2714
+ 5429TIP3    H117735   0.489   1.240   5.520 -0.9135 -0.9409  1.5557
+ 5429TIP3    H217736   0.534   1.357   5.605 -0.5733  1.3224 -1.6638
+ 5430TIP3   OH217737   1.116   0.231   4.983 -0.2769  0.2009 -0.3601
+ 5430TIP3    H117738   1.111   0.318   4.943 -1.8259 -0.0830 -0.8201
+ 5430TIP3    H217739   1.026   0.198   4.979 -0.2079 -0.3660  2.1836
+ 5431TIP3   OH217740   0.898   6.676   3.624 -0.5999 -0.7046  0.0685
+ 5431TIP3    H117741   0.839   6.685   3.698 -0.4751 -0.7799  0.1765
+ 5431TIP3    H217742   0.864   6.736   3.558 -0.5847 -0.4814  0.2660
+ 5432TIP3   OH217743   6.861   0.127   3.848  0.2752  0.4982  0.0512
+ 5432TIP3    H117744   6.884   0.082   3.929 -0.2898  0.4636  0.1879
+ 5432TIP3    H217745   6.946   0.148   3.808  0.5478 -1.6154 -0.5297
+ 5433TIP3   OH217746   6.497   5.626   4.543 -0.6554  0.4814 -0.3783
+ 5433TIP3    H117747   6.485   5.712   4.503  1.4073  1.1913  0.4775
+ 5433TIP3    H217748   6.508   5.644   4.636 -0.3837 -0.7297 -0.1676
+ 5434TIP3   OH217749   6.636   6.665   5.129 -0.1399  0.0835  0.5999
+ 5434TIP3    H117750   6.615   6.591   5.186  1.1668 -0.5674  0.2608
+ 5434TIP3    H217751   6.655   6.737   5.189  0.9397 -0.5188  0.9880
+ 5435TIP3   OH217752   2.863   2.945   6.547  0.4512 -0.3436 -0.3486
+ 5435TIP3    H117753   2.832   2.906   6.628 -0.5012  1.2343  0.0847
+ 5435TIP3    H217754   2.861   2.874   6.483 -0.5148 -1.1767  0.5935
+ 5436TIP3   OH217755   3.307   6.504   3.375 -0.3185  0.0303  0.1612
+ 5436TIP3    H117756   3.350   6.589   3.378 -0.4900  0.0689  1.6964
+ 5436TIP3    H217757   3.256   6.506   3.294  1.3008  0.5870 -0.8654
+ 5437TIP3   OH217758   0.881   0.580   6.074 -0.1576 -0.3875  0.1013
+ 5437TIP3    H117759   0.957   0.554   6.128  0.6743  0.8883 -0.4188
+ 5437TIP3    H217760   0.867   0.507   6.015  0.2257 -0.9319  0.6729
+ 5438TIP3   OH217761   6.274   1.506   1.881  0.0438  0.1427 -0.1707
+ 5438TIP3    H117762   6.322   1.571   1.931  0.0880 -2.1211  2.8798
+ 5438TIP3    H217763   6.341   1.454   1.837  0.1907 -0.2343  0.4962
+ 5439TIP3   OH217764   5.571   0.374   6.336  0.0985  0.8607  1.0165
+ 5439TIP3    H117765   5.602   0.438   6.272 -1.2811  1.5830  1.0397
+ 5439TIP3    H217766   5.542   0.300   6.283  0.0057  0.9966  0.8785
+ 5440TIP3   OH217767   1.579   1.274   0.678 -0.0025 -0.0961  0.7578
+ 5440TIP3    H117768   1.517   1.329   0.629 -0.2793 -0.5811  0.5549
+ 5440TIP3    H217769   1.524   1.209   0.722  0.3804 -0.7221  0.3264
+ 5441TIP3   OH217770   1.301   1.697   3.704 -0.3338 -0.1296 -0.1534
+ 5441TIP3    H117771   1.299   1.602   3.715  0.9449 -0.1396  0.0919
+ 5441TIP3    H217772   1.382   1.725   3.747 -1.3718  1.2454  0.9659
+ 5442TIP3   OH217773   0.353   6.445   6.588  0.3668  0.0076  0.1139
+ 5442TIP3    H117774   0.373   6.531   6.551 -0.0014  0.6800  1.4550
+ 5442TIP3    H217775   0.263   6.454   6.621  0.4684 -0.7808  0.6055
+ 5443TIP3   OH217776   5.677   6.581   6.079  0.1979 -0.2672  0.1589
+ 5443TIP3    H117777   5.648   6.490   6.073  0.0620 -0.1848 -0.4422
+ 5443TIP3    H217778   5.755   6.585   6.024 -0.0282  0.0728 -0.1360
+ 5444TIP3   OH217779   1.600   3.867   6.118 -0.1193 -0.0506  0.2925
+ 5444TIP3    H117780   1.672   3.890   6.059 -0.6051 -0.1445 -0.3377
+ 5444TIP3    H217781   1.638   3.802   6.178  0.6798  0.8645  0.7906
+ 5445TIP3   OH217782   5.967  -0.011   3.919 -0.0869 -0.1094  0.4592
+ 5445TIP3    H117783   6.049   0.037   3.904 -0.8884  1.0109 -0.3673
+ 5445TIP3    H217784   5.958  -0.013   4.014  1.0225 -0.4414  0.5640
+ 5446TIP3   OH217785   0.568   1.432   3.558 -0.2070  0.2548  0.4102
+ 5446TIP3    H117786   0.491   1.462   3.605 -1.3137 -0.2121 -1.0785
+ 5446TIP3    H217787   0.603   1.510   3.515  0.8566  0.6997  2.0241
+ 5447TIP3   OH217788   0.049   0.342   4.106 -0.4442 -0.4448  0.3872
+ 5447TIP3    H117789  -0.011   0.403   4.149  0.2545 -1.2742  2.6295
+ 5447TIP3    H217790   0.008   0.256   4.118  1.2079 -1.0424  2.0697
+ 5448TIP3   OH217791   2.345   0.725   2.113 -0.2945  0.5248 -0.6325
+ 5448TIP3    H117792   2.334   0.679   2.030 -1.2933  0.4589 -0.4710
+ 5448TIP3    H217793   2.313   0.663   2.179 -1.3358  1.3086 -0.3840
+ 5449TIP3   OH217794   0.271   6.246   5.044  0.4934  0.5108  0.2228
+ 5449TIP3    H117795   0.312   6.163   5.019 -1.0640 -1.1737  3.1067
+ 5449TIP3    H217796   0.189   6.248   4.994 -0.2640 -0.5170  1.3905
+ 5450TIP3   OH217797   1.755   5.460   3.042 -0.2119  0.0347 -0.2062
+ 5450TIP3    H117798   1.773   5.441   3.134  0.1964 -0.1328 -0.3222
+ 5450TIP3    H217799   1.841   5.476   3.003 -0.5349  2.3721 -0.0632
+ 5451TIP3   OH217800   6.603   2.302   4.373 -0.2935 -0.3689  0.1532
+ 5451TIP3    H117801   6.624   2.269   4.285  0.1907  1.0178 -0.2635
+ 5451TIP3    H217802   6.508   2.290   4.380 -0.4422  0.1066 -0.8326
+ 5452TIP3   OH217803   6.245   0.721   1.248  0.1640  0.4508  0.0241
+ 5452TIP3    H117804   6.189   0.702   1.324  0.1501 -1.6016 -0.4800
+ 5452TIP3    H217805   6.198   0.791   1.202 -1.9182 -1.0506 -0.2510
+ 5453TIP3   OH217806   1.477   2.653   2.631 -0.0793  0.3681 -0.1846
+ 5453TIP3    H117807   1.470   2.641   2.726  2.6633  1.0056  0.1493
+ 5453TIP3    H217808   1.467   2.565   2.595 -2.1726  0.2560  0.5947
+ 5454TIP3   OH217809   0.228   2.174   3.959  0.2576  0.3421  0.4460
+ 5454TIP3    H117810   0.199   2.194   4.048 -0.7156  0.8467  0.0311
+ 5454TIP3    H217811   0.207   2.081   3.947 -0.7434  0.5718  0.3363
+ 5455TIP3   OH217812   0.363   0.646   4.470  0.1947  0.4257 -0.7001
+ 5455TIP3    H117813   0.390   0.597   4.393 -1.0975  0.6882 -1.3296
+ 5455TIP3    H217814   0.417   0.725   4.468  0.8087  0.0047 -0.8316
+ 5456TIP3   OH217815   1.055   1.367   5.003 -0.0906  0.2398 -0.1046
+ 5456TIP3    H117816   1.062   1.407   4.916 -1.9307  0.2425 -0.2631
+ 5456TIP3    H217817   1.137   1.318   5.013 -0.0647 -0.1447 -2.0356
+ 5457TIP3   OH217818   2.364   1.831   1.935  0.5388  0.1160 -0.2998
+ 5457TIP3    H117819   2.356   1.913   1.885  2.3520 -0.3848 -1.4867
+ 5457TIP3    H217820   2.325   1.765   1.878  1.4596 -0.2542 -0.5152
+ 5458TIP3   OH217821   6.046   1.608   5.453  0.2062  0.2434 -0.5150
+ 5458TIP3    H117822   6.044   1.560   5.536 -1.2638  1.0381 -0.0680
+ 5458TIP3    H217823   6.109   1.561   5.399 -0.4426 -1.5739  0.2706
+ 5459TIP3   OH217824   4.042   5.565   4.036  0.2167 -0.1394 -0.0147
+ 5459TIP3    H117825   4.071   5.486   3.989 -0.3820 -0.0461 -0.5437
+ 5459TIP3    H217826   4.101   5.634   4.004  1.2862 -0.5350  1.0742
+ 5460TIP3   OH217827   1.152   6.670   3.532  0.1411  0.7438 -0.1188
+ 5460TIP3    H117828   1.204   6.616   3.591 -0.8443 -0.5707 -0.4482
+ 5460TIP3    H217829   1.064   6.669   3.569 -0.0648  1.4429 -0.5844
+ 5461TIP3   OH217830   0.317   1.560   4.727  0.5276  0.1034  0.3279
+ 5461TIP3    H117831   0.300   1.640   4.777  2.3596  0.5386  0.2967
+ 5461TIP3    H217832   0.313   1.587   4.635 -0.5609 -0.2177  0.2710
+ 5462TIP3   OH217833   0.545   1.036   4.473  0.1458 -0.1380 -0.0802
+ 5462TIP3    H117834   0.515   1.114   4.519 -0.7230 -0.0147 -0.8442
+ 5462TIP3    H217835   0.558   0.971   4.542  0.1298  0.4481  0.4721
+ 5463TIP3   OH217836   2.029   5.941   3.677  0.4317 -0.7648 -0.2820
+ 5463TIP3    H117837   2.092   5.884   3.634  1.1218 -0.7854  0.7222
+ 5463TIP3    H217838   2.036   6.025   3.632  1.2957 -0.7252 -0.0789
+ 5464TIP3   OH217839   1.744   0.357   2.589  0.6467 -0.3063  0.0522
+ 5464TIP3    H117840   1.724   0.289   2.525  0.7275  0.0044 -0.3079
+ 5464TIP3    H217841   1.773   0.310   2.667 -2.0366 -0.8269  0.7979
+ 5465TIP3   OH217842   5.961   6.642   3.742  0.2547  0.1035  0.2524
+ 5465TIP3    H117843   6.054   6.618   3.744  0.3521  0.3619 -1.0116
+ 5465TIP3    H217844   5.954   6.717   3.801  0.9060  0.2675  0.1263
+ 5466TIP3   OH217845   5.720   1.244   4.808  0.3845  0.2481 -0.6029
+ 5466TIP3    H117846   5.764   1.201   4.882  0.6417  0.6482 -0.5264
+ 5466TIP3    H217847   5.642   1.283   4.847  0.4736  0.3820 -0.5581
+ 5467TIP3   OH217848   0.510   6.053   3.807 -0.1111  0.5578 -0.3323
+ 5467TIP3    H117849   0.534   6.137   3.769 -2.7887  0.6947 -1.8071
+ 5467TIP3    H217850   0.530   5.989   3.739 -0.1355  0.2370 -0.0367
+ 5468TIP3   OH217851   0.214   0.654   3.261 -0.0214 -0.7859 -0.0511
+ 5468TIP3    H117852   0.153   0.613   3.200 -0.0848  0.1801 -0.6383
+ 5468TIP3    H217853   0.226   0.588   3.330 -1.1374 -1.2783 -0.3104
+ 5469TIP3   OH217854   6.091   1.626   3.874 -0.1114 -0.4755  0.3073
+ 5469TIP3    H117855   6.163   1.589   3.925  0.1428 -1.5038 -0.7943
+ 5469TIP3    H217856   6.127   1.706   3.835  0.4503 -1.0308 -0.3091
+ 5470TIP3   OH217857   6.388   6.665   5.787 -0.1393 -0.3658 -0.3368
+ 5470TIP3    H117858   6.373   6.759   5.796 -0.3595 -0.5446  1.1695
+ 5470TIP3    H217859   6.302   6.625   5.797 -0.0645 -0.7348 -1.0764
+ 5471TIP3   OH217860   0.515   0.913   4.706  0.2202  0.3074  0.2720
+ 5471TIP3    H117861   0.551   0.966   4.777 -0.2429 -1.4262  1.8414
+ 5471TIP3    H217862   0.424   0.896   4.731  0.5477 -1.7826  0.1617
+ 5472TIP3   OH217863   0.920   2.299   3.867 -0.5892  0.3769 -0.0313
+ 5472TIP3    H117864   0.841   2.349   3.849 -0.6183  0.6246  0.7551
+ 5472TIP3    H217865   0.918   2.227   3.804 -1.2397  0.6011 -0.2697
+ 5473TIP3   OH217866   2.400   2.754   6.758 -0.7638 -0.0239 -0.1354
+ 5473TIP3    H117867   2.435   2.818   6.696 -1.2181  2.0875  1.7339
+ 5473TIP3    H217868   2.478   2.713   6.796 -0.4627 -0.4486 -1.2044
+ 5474TIP3   OH217869   0.845   0.978   3.399  0.1995 -0.6019 -0.4108
+ 5474TIP3    H117870   0.753   0.954   3.388  0.0191 -0.1331  0.0889
+ 5474TIP3    H217871   0.872   1.007   3.312 -0.7718  1.4836 -0.0553
+ 5475TIP3   OH217872   6.452   6.001   1.178 -0.2338 -0.1045  0.4423
+ 5475TIP3    H117873   6.539   6.030   1.153 -0.1236 -0.7451  0.0550
+ 5475TIP3    H217874   6.441   6.032   1.268 -0.1271  1.1122  0.0484
+ 5476TIP3   OH217875   0.972   6.091   3.615  0.2155  0.0306 -0.3651
+ 5476TIP3    H117876   0.957   6.012   3.667 -0.5043 -0.6140 -1.5254
+ 5476TIP3    H217877   0.886   6.116   3.582  0.2357  2.0732  1.0563
+ 5477TIP3   OH217878   6.620   0.020   0.974  0.0896  0.2409 -0.7223
+ 5477TIP3    H117879   6.637   0.100   0.924  0.7928 -1.0760 -2.6052
+ 5477TIP3    H217880   6.524   0.014   0.977  0.0384  0.7782 -1.1787
+ 5478TIP3   OH217881   1.449   1.265   5.849 -0.3392 -0.1812  0.2145
+ 5478TIP3    H117882   1.522   1.326   5.861 -0.1908 -0.5853  1.3745
+ 5478TIP3    H217883   1.380   1.319   5.810  0.2861  0.3922 -0.1229
+ 5479TIP3   OH217884   1.792   2.184   4.465 -0.2847  0.6376 -0.0043
+ 5479TIP3    H117885   1.799   2.104   4.518 -1.9448  0.7542  0.4189
+ 5479TIP3    H217886   1.872   2.184   4.412 -1.0695 -2.2333 -1.3007
+ 5480TIP3   OH217887   5.058   0.159   6.190 -0.1493  0.0952  0.0159
+ 5480TIP3    H117888   5.048   0.116   6.105  0.7423  2.0555 -1.1165
+ 5480TIP3    H217889   4.995   0.115   6.246 -3.6433  1.3703 -2.7063
+ 5481TIP3   OH217890   0.531   2.151   3.993 -0.0255 -0.4174  0.3226
+ 5481TIP3    H117891   0.436   2.151   3.982  0.3224  0.3805 -3.5786
+ 5481TIP3    H217892   0.563   2.091   3.926  2.3586  1.7079 -0.5418
+ 5482TIP3   OH217893   0.086   6.083   4.276  0.2576  0.3233 -0.1434
+ 5482TIP3    H117894   0.044   6.167   4.292  0.8331  0.8593 -1.4017
+ 5482TIP3    H217895   0.058   6.028   4.349 -0.9369  1.2921  0.1418
+ 5483TIP3   OH217896   1.153   2.039   3.483  0.7384 -0.2917 -0.4972
+ 5483TIP3    H117897   1.205   2.038   3.403  0.6118 -1.3906 -0.5747
+ 5483TIP3    H217898   1.174   1.956   3.527  0.7239  0.2457  0.5573
+ 5484TIP3   OH217899   2.244   1.314   4.377  0.3382 -0.5631 -0.3781
+ 5484TIP3    H117900   2.279   1.278   4.295  0.3203  0.0450 -0.6573
+ 5484TIP3    H217901   2.313   1.372   4.409 -0.8453  1.5730 -1.5444
+ 5485TIP3   OH217902   1.861   1.295   2.460  0.7282  0.8151  0.3370
+ 5485TIP3    H117903   1.857   1.363   2.528 -0.4220  1.6879 -0.5939
+ 5485TIP3    H217904   1.779   1.305   2.411  1.0381 -0.5548 -0.4723
+ 5486TIP3   OH217905   1.287   6.895   6.076  0.2354 -0.5440 -0.3996
+ 5486TIP3    H117906   1.271   6.843   6.155 -1.5962  0.3768 -0.1360
+ 5486TIP3    H217907   1.258   6.840   6.004 -0.1155 -0.5447 -0.2591
+ 5487TIP3   OH217908   2.833   0.393   6.784 -0.2290 -0.2277  0.6623
+ 5487TIP3    H117909   2.790   0.318   6.743  0.1284 -0.0393 -0.0509
+ 5487TIP3    H217910   2.764   0.458   6.794 -0.6370 -0.7950  1.6541
+ 5488TIP3   OH217911   1.619   0.961   4.534  0.0880 -0.1481  0.4785
+ 5488TIP3    H117912   1.708   0.956   4.500 -0.1117  1.1282 -0.2615
+ 5488TIP3    H217913   1.592   0.870   4.544  1.2283 -0.5390  0.0589
+ 5489TIP3   OH217914   1.101   6.802   4.907  0.0197 -0.0537 -0.5551
+ 5489TIP3    H117915   1.079   6.776   4.997 -0.5238 -0.4085 -0.7886
+ 5489TIP3    H217916   1.195   6.785   4.900 -0.0494 -0.6076 -0.2435
+ 5490TIP3   OH217917   1.814   0.201   6.112  0.2531  0.6487 -0.0399
+ 5490TIP3    H117918   1.719   0.209   6.106  0.3921  1.5541 -1.2329
+ 5490TIP3    H217919   1.840   0.273   6.169  0.2753  0.7486 -0.1758
+ 5491TIP3   OH217920   1.756   1.159   5.119 -0.2455  0.7812 -0.1896
+ 5491TIP3    H117921   1.825   1.120   5.066 -0.4276  1.6669 -1.0907
+ 5491TIP3    H217922   1.703   1.208   5.057 -1.0876  0.9560  0.6557
+ 5492TIP3   OH217923   1.751   0.578   0.087 -0.1050 -0.5796  0.1084
+ 5492TIP3    H117924   1.727   0.648   0.026  1.7690  0.1364  0.1786
+ 5492TIP3    H217925   1.670   0.527   0.097 -0.9551  0.4108 -1.4707
+ 5493TIP3   OH217926   0.883   1.310   5.797 -0.1632 -0.5738  0.0961
+ 5493TIP3    H117927   0.946   1.287   5.865 -0.1589 -1.8089 -0.3107
+ 5493TIP3    H217928   0.805   1.339   5.844  0.2925 -0.1590  0.6059
+ 5494TIP3   OH217929   1.238   1.477   5.429  0.2924  0.4416  0.4280
+ 5494TIP3    H117930   1.260   1.497   5.338  0.7055  2.2270  0.8877
+ 5494TIP3    H217931   1.246   1.382   5.436  1.3206  0.3970 -1.1263
+ 5495TIP3   OH217932   5.893   0.945   2.480  0.2574 -0.2732 -0.3666
+ 5495TIP3    H117933   5.970   0.949   2.536  0.0372  0.4365 -0.1139
+ 5495TIP3    H217934   5.904   1.017   2.418 -2.2108  2.5491  2.2819
+ 5496TIP3   OH217935   1.969   2.102   2.656  0.3522  0.4092 -0.0883
+ 5496TIP3    H117936   2.033   2.123   2.724  0.0195 -1.2052  0.7450
+ 5496TIP3    H217937   1.968   2.179   2.598 -0.0941  2.2337  2.2818
+ 5497TIP3   OH217938   6.442   1.535   2.263  0.2367  0.1387  0.0644
+ 5497TIP3    H117939   6.420   1.568   2.176  1.4048  0.3868 -0.1350
+ 5497TIP3    H217940   6.452   1.614   2.317 -0.9468 -0.0214  0.5538
+ 5498TIP3   OH217941   3.129   2.077   4.700 -0.0835  0.0668  0.3669
+ 5498TIP3    H117942   3.062   2.046   4.640 -1.0386  1.2533  0.8047
+ 5498TIP3    H217943   3.136   2.009   4.767  2.1958 -2.0829 -1.9652
+ 5499TIP3   OH217944   6.772   1.371   2.479 -0.4722  0.3341  0.3858
+ 5499TIP3    H117945   6.781   1.461   2.447  0.6408  0.4190  0.8995
+ 5499TIP3    H217946   6.702   1.376   2.544 -0.6230  0.7696  0.1919
+ 5500TIP3   OH217947   1.645   2.122   6.302 -0.1342 -0.5301  0.0193
+ 5500TIP3    H117948   1.692   2.064   6.243  0.6660  0.4639 -0.3429
+ 5500TIP3    H217949   1.679   2.209   6.282  1.4280 -0.3381  3.0839
+ 5501TIP3   OH217950   6.119   4.941   4.130  0.6536 -0.2747 -0.0007
+ 5501TIP3    H117951   6.197   4.928   4.076  0.4877  0.5104 -0.4349
+ 5501TIP3    H217952   6.073   4.857   4.126  1.6149 -0.8303  0.4873
+ 5502TIP3   OH217953   2.451   2.482   3.965  0.0342 -0.4411 -0.5010
+ 5502TIP3    H117954   2.521   2.451   4.022  0.4790 -0.9827 -1.3276
+ 5502TIP3    H217955   2.416   2.559   4.009 -0.2339 -1.3764  0.9443
+ 5503TIP3   OH217956   0.632   0.559   3.138 -0.4632 -0.3967  0.0258
+ 5503TIP3    H117957   0.716   0.513   3.144 -0.9712 -1.4724 -0.9257
+ 5503TIP3    H217958   0.654   0.642   3.097  0.0540 -0.9336 -0.8145
+ 5504TIP3   OH217959   0.750   6.541   4.574 -0.5657  0.0785  0.1646
+ 5504TIP3    H117960   0.693   6.485   4.521  0.3480  0.2465 -1.0393
+ 5504TIP3    H217961   0.700   6.621   4.588 -1.6010 -0.7465  1.2874
+ 5505TIP3   OH217962   5.766   0.963   6.282 -0.1076  1.2109 -0.2735
+ 5505TIP3    H117963   5.752   0.973   6.188  0.9443  1.5662 -0.3917
+ 5505TIP3    H217964   5.696   1.016   6.321 -2.6947 -1.6745 -0.7907
+ 5506TIP3   OH217965   5.565   5.797   5.102 -0.6205 -0.2133  0.1150
+ 5506TIP3    H117966   5.524   5.842   5.028  0.3046  2.7004  1.3153
+ 5506TIP3    H217967   5.650   5.770   5.068  0.1864  1.9410  0.3232
+ 5507TIP3   OH217968   6.121   5.816   4.088 -0.1842  0.3610  0.0072
+ 5507TIP3    H117969   6.086   5.905   4.081  0.0436  0.5620  1.3600
+ 5507TIP3    H217970   6.046   5.763   4.114  0.5265  0.8471  3.2460
+ 5508TIP3   OH217971   5.908   1.981   3.803  0.0087 -0.1014 -0.2289
+ 5508TIP3    H117972   5.907   2.017   3.891 -0.2151 -1.0128  0.1420
+ 5508TIP3    H217973   5.816   1.972   3.780  0.0666  1.0466 -0.9306
+ 5509TIP3   OH217974   6.264   6.065   5.836 -0.2460 -0.3241 -0.0662
+ 5509TIP3    H117975   6.333   6.123   5.802 -0.1995 -0.5165 -0.3007
+ 5509TIP3    H217976   6.247   6.098   5.924 -1.4259  1.1454 -0.8156
+ 5510TIP3   OH217977   3.111   1.843   4.875 -0.5152 -0.3003  0.1715
+ 5510TIP3    H117978   3.057   1.814   4.802  0.2579  1.8905 -1.3302
+ 5510TIP3    H217979   3.198   1.806   4.857  0.2555  2.0691 -1.2986
+ 5511TIP3   OH217980   0.984   6.315   3.293  0.2607  0.5628 -0.0202
+ 5511TIP3    H117981   1.029   6.282   3.370  0.9140  0.4959 -0.4242
+ 5511TIP3    H217982   0.928   6.243   3.264  0.7898  0.2242 -0.2081
+ 5512TIP3   OH217983   2.435   0.297   6.256 -0.0987 -0.3557 -0.0555
+ 5512TIP3    H117984   2.417   0.382   6.295 -0.3139 -0.7103  0.6242
+ 5512TIP3    H217985   2.361   0.283   6.196 -0.9827 -0.8436  1.1361
+ 5513TIP3   OH217986   1.308   6.508   5.867 -0.0196  0.0590 -0.1936
+ 5513TIP3    H117987   1.395   6.548   5.866  0.0778 -0.1583 -1.5790
+ 5513TIP3    H217988   1.314   6.439   5.933  0.1911  1.4572  1.3046
+ 5514TIP3   OH217989   1.028   1.430   6.402 -0.3037  0.3497 -0.0523
+ 5514TIP3    H117990   0.936   1.424   6.375 -0.2705  1.1084 -0.3385
+ 5514TIP3    H217991   1.031   1.506   6.461 -0.5986 -1.9236  3.0332
+ 5515TIP3   OH217992   5.985   6.545   4.290  0.4547  0.5337 -0.1595
+ 5515TIP3    H117993   6.013   6.605   4.359 -1.1289 -0.2737  1.2433
+ 5515TIP3    H217994   5.987   6.459   4.331 -0.6839  0.0570 -1.0663
+ 5516TIP3   OH217995   3.275   2.255   0.227  0.0664  0.8990  0.0961
+ 5516TIP3    H117996   3.332   2.279   0.299 -0.7354  1.5486  0.5216
+ 5516TIP3    H217997   3.218   2.330   0.215 -0.9439  0.1183 -0.0896
+ 5517TIP3   OH217998   1.938   0.735   6.245  0.2188 -0.0204 -0.0340
+ 5517TIP3    H117999   1.863   0.786   6.216  1.2738  1.1020 -0.8099
+ 5517TIP3    H218000   1.960   0.770   6.331  0.0854 -0.0980  0.0313
+ 5518TIP3   OH218001   5.602   5.474   6.297 -0.6423 -0.7217 -0.4110
+ 5518TIP3    H118002   5.685   5.441   6.333  0.4870  1.5439 -0.8896
+ 5518TIP3    H218003   5.538   5.406   6.320  0.9193 -1.5175  1.8327
+ 5519TIP3   OH218004   5.241   1.464   5.766  0.2276 -0.3543  0.3980
+ 5519TIP3    H118005   5.181   1.526   5.808  1.3134  0.8831  0.1103
+ 5519TIP3    H218006   5.305   1.518   5.720  1.1542 -1.6774  0.0964
+ 5520TIP3   OH218007   1.735   6.504   6.228  0.0231 -0.1195 -0.2227
+ 5520TIP3    H118008   1.785   6.537   6.153  0.9413  1.3416  0.9971
+ 5520TIP3    H218009   1.799   6.497   6.298 -1.2546  0.6517  1.0456
+ 5521TIP3   OH218010   6.805   6.005   3.094  0.2462 -0.1009  0.2171
+ 5521TIP3    H118011   6.765   6.092   3.087 -0.2066 -0.2800  0.6216
+ 5521TIP3    H218012   6.809   5.987   3.188 -1.9870 -1.6040  0.0498
+ 5522TIP3   OH218013   0.635   0.112   2.004  0.2625 -0.0288 -0.0115
+ 5522TIP3    H118014   0.671   0.058   1.934 -0.4849 -0.6069  0.0425
+ 5522TIP3    H218015   0.618   0.051   2.076 -0.4496  0.2966  0.1022
+ 5523TIP3   OH218016   1.880   0.250   3.869 -0.5609  0.2810 -0.0300
+ 5523TIP3    H118017   1.959   0.297   3.896  0.4693 -1.7042  0.5732
+ 5523TIP3    H218018   1.811   0.315   3.871  0.8524  1.7978  0.5819
+ 5524TIP3   OH218019   5.451   6.594   6.394  0.2156  0.0032 -0.4643
+ 5524TIP3    H118020   5.519   6.650   6.357  0.7320  0.4036  1.0903
+ 5524TIP3    H218021   5.398   6.652   6.447 -0.9974 -0.4276 -1.1739
+ 5525TIP3   OH218022   5.890   0.432   5.742  0.2621 -0.1250  0.2388
+ 5525TIP3    H118023   5.806   0.388   5.747  0.5974 -1.0036 -1.5146
+ 5525TIP3    H218024   5.949   0.378   5.794 -0.1437  0.2538  1.1038
+ 5526TIP3   OH218025   0.578   0.699   4.178 -0.6083  0.0156 -0.1730
+ 5526TIP3    H118026   0.513   0.756   4.137  0.2352 -0.0558 -1.6438
+ 5526TIP3    H218027   0.585   0.730   4.268 -1.1922  1.3263 -0.5749
+ 5527TIP3   OH218028   1.320   1.423   0.082  0.4308 -0.4651 -0.1207
+ 5527TIP3    H118029   1.402   1.462   0.052  0.3096  0.8194  1.1044
+ 5527TIP3    H218030   1.298   1.358   0.016  1.3619  0.6299 -1.5431
+ 5528TIP3   OH218031   6.570   6.894   5.304  0.0066  0.2872 -0.3027
+ 5528TIP3    H118032   6.523   6.857   5.379 -0.5270  1.4267 -0.0520
+ 5528TIP3    H218033   6.659   6.908   5.336  0.5073 -1.8017 -0.7505
+ 5529TIP3   OH218034   1.229   2.480   6.480  0.2953  0.2948 -0.3287
+ 5529TIP3    H118035   1.155   2.421   6.474  0.6493 -0.0598 -1.4015
+ 5529TIP3    H218036   1.190   2.566   6.498 -0.2778 -0.0968  0.3080
+ 5530TIP3   OH218037   0.344   2.677   4.487 -0.3154  0.1934 -0.2618
+ 5530TIP3    H118038   0.323   2.755   4.539  0.7105  0.5337 -0.3484
+ 5530TIP3    H218039   0.312   2.604   4.541  1.1204  0.5154  1.0830
+ 5531TIP3   OH218040   0.256   2.957   5.177  0.1753 -0.3049 -0.1594
+ 5531TIP3    H118041   0.274   2.863   5.172  0.7686 -0.2501  0.8798
+ 5531TIP3    H218042   0.167   2.966   5.143 -0.4714 -1.4415  1.1727
+ 5532TIP3   OH218043   1.631   2.603   5.048 -0.4688 -0.2861  0.0897
+ 5532TIP3    H118044   1.714   2.650   5.042 -0.8447  0.1537 -1.7224
+ 5532TIP3    H218045   1.645   2.540   5.119 -0.0975  2.7595  2.8278
+ 5533TIP3   OH218046   6.487   3.294   2.508  0.2128  0.0807  0.0256
+ 5533TIP3    H118047   6.575   3.333   2.507  0.8291 -1.2768 -0.1318
+ 5533TIP3    H218048   6.439   3.343   2.441  0.7733  0.9822  0.2627
+ 5534TIP3   OH218049   0.898   0.119   0.227 -0.4338  0.2649 -0.5967
+ 5534TIP3    H118050   0.875   0.044   0.172  0.1993  1.2193 -2.1907
+ 5534TIP3    H218051   0.816   0.140   0.273 -1.0772 -0.3315 -1.4409
+ 5535TIP3   OH218052   0.619   2.076   4.626  0.2456  0.4519 -0.4236
+ 5535TIP3    H118053   0.706   2.071   4.587  0.0860  0.4027 -0.7751
+ 5535TIP3    H218054   0.617   2.005   4.691  0.0809 -0.2424 -1.1857
+ 5536TIP3   OH218055   5.215   2.192   3.278  0.5019 -0.0385  0.2869
+ 5536TIP3    H118056   5.160   2.170   3.203  0.4517 -2.0323  0.8632
+ 5536TIP3    H218057   5.193   2.125   3.343  1.4623  0.9168  1.6143
+ 5537TIP3   OH218058   0.944   2.930   3.836 -0.0761  0.8639 -0.0565
+ 5537TIP3    H118059   1.021   2.987   3.844  0.6012 -0.2856  2.0910
+ 5537TIP3    H218060   0.901   2.936   3.921  0.4260 -2.3811  0.4898
+ 5538TIP3   OH218061   6.745   5.649   6.899 -0.4053  0.4965 -0.3381
+ 5538TIP3    H118062   6.674   5.649   6.834  1.2351  0.2097 -2.1602
+ 5538TIP3    H218063   6.746   5.738   6.932 -1.7984  0.4366 -0.0881
+ 5539TIP3   OH218064   0.832   6.369   4.783  0.2690  0.0702  0.3257
+ 5539TIP3    H118065   0.830   6.450   4.834 -0.1477  0.3735 -0.1602
+ 5539TIP3    H218066   0.789   6.392   4.700  3.1836  0.2680 -1.1909
+ 5540TIP3   OH218067   0.177   4.742   4.408 -0.2100 -0.3840  1.2217
+ 5540TIP3    H118068   0.209   4.763   4.496 -0.2612 -1.9213  1.6266
+ 5540TIP3    H218069   0.252   4.700   4.365 -0.3147 -0.0098  0.6826
+ 5541TIP3   OH218070   6.760   6.740   5.730  0.1823 -0.4234  0.4957
+ 5541TIP3    H118071   6.715   6.728   5.813 -1.2029  0.0567 -0.1686
+ 5541TIP3    H218072   6.778   6.834   5.725  2.6911 -0.8303  1.4711
+ 5542TIP3   OH218073   1.166   6.239   3.515  0.5498 -0.4494  0.2609
+ 5542TIP3    H118074   1.110   6.173   3.556 -0.3907  0.1793 -0.0038
+ 5542TIP3    H218075   1.156   6.316   3.571  3.1015 -1.0662  1.6533
+ 5543TIP3   OH218076   3.672   6.598   5.710  0.2553 -0.2001  0.2021
+ 5543TIP3    H118077   3.695   6.509   5.736  0.6096 -0.3496 -0.6049
+ 5543TIP3    H218078   3.576   6.599   5.707  0.2000 -0.1143  1.7083
+ 5544TIP3   OH218079   5.450  -0.013   2.268  0.3760 -0.2766  0.1942
+ 5544TIP3    H118080   5.370   0.036   2.246 -0.4552 -1.2551  0.9633
+ 5544TIP3    H218081   5.522   0.046   2.245 -0.5284  0.0758 -1.9010
+ 5545TIP3   OH218082   1.621   5.334   4.406 -0.0528 -0.7254  0.5861
+ 5545TIP3    H118083   1.687   5.373   4.349 -0.0723  0.2425  1.2198
+ 5545TIP3    H218084   1.545   5.392   4.399 -0.7139 -1.6293  0.1491
+ 5546TIP3   OH218085   0.252   1.463   2.747 -0.2293 -0.2045 -0.4645
+ 5546TIP3    H118086   0.326   1.517   2.774 -1.0051  0.5139  0.2726
+ 5546TIP3    H218087   0.221   1.504   2.667 -1.2133  0.8501  0.4364
+ 5547TIP3   OH218088   3.935   5.979   0.143 -0.3961  0.1561 -0.5130
+ 5547TIP3    H118089   3.962   5.904   0.090  0.6981 -0.4887  0.9411
+ 5547TIP3    H218090   3.975   6.054   0.099  0.8465 -0.4161 -0.3792
+ 5548TIP3   OH218091   0.992   5.749   2.831  0.1056 -0.1478  0.0336
+ 5548TIP3    H118092   0.982   5.830   2.881  0.9782 -1.1729  1.8751
+ 5548TIP3    H218093   1.081   5.753   2.795  0.7543 -1.0671  1.5235
+ 5549TIP3   OH218094   1.702   1.559   2.087 -0.4457  0.3323 -0.5226
+ 5549TIP3    H118095   1.675   1.567   2.178 -0.3705 -1.1623 -0.3427
+ 5549TIP3    H218096   1.633   1.601   2.036 -1.2726 -0.2218  0.1412
+ 5550TIP3   OH218097   2.506   1.149   5.710 -0.4175 -0.0607 -0.1741
+ 5550TIP3    H118098   2.499   1.070   5.764 -0.5827 -0.9015 -1.3859
+ 5550TIP3    H218099   2.576   1.200   5.750 -0.5915 -0.6290  0.8706
+ 5551TIP3   OH218100   1.732   6.195   4.942  0.4074 -0.1270 -0.2040
+ 5551TIP3    H118101   1.779   6.242   4.873  0.1298  1.7780  0.8623
+ 5551TIP3    H218102   1.712   6.262   5.008 -1.5995 -1.3811  0.5351
+ 5552TIP3   OH218103   1.977   1.079   6.078  0.0608  0.0260 -0.0265
+ 5552TIP3    H118104   1.981   0.991   6.039  0.4398 -0.5169  1.2171
+ 5552TIP3    H218105   2.052   1.125   6.040  0.5666 -0.5768  0.2315
+ 5553TIP3   OH218106   0.072   1.191   3.260  0.7357 -0.1600 -0.6048
+ 5553TIP3    H118107   0.147   1.250   3.249  1.4186 -0.9284 -0.1957
+ 5553TIP3    H218108   0.088   1.148   3.344 -1.4943  1.5403  0.7292
+ 5554TIP3   OH218109   2.619   2.599   4.535 -0.3913  0.1812  0.2332
+ 5554TIP3    H118110   2.623   2.547   4.455  1.0262 -0.2371  0.5652
+ 5554TIP3    H218111   2.538   2.570   4.578  0.3536 -1.7215  0.3864
+ 5555TIP3   OH218112   4.882   0.861   6.598 -0.0965  0.7295 -0.6097
+ 5555TIP3    H118113   4.812   0.873   6.533  0.7797  2.6364 -1.2230
+ 5555TIP3    H218114   4.850   0.789   6.653 -2.6288  1.6474 -0.7800
+ 5556TIP3   OH218115   1.277   6.073   3.164  0.2973  0.3638 -0.2637
+ 5556TIP3    H118116   1.188   6.040   3.157  0.6165 -1.0202  1.8313
+ 5556TIP3    H218117   1.272   6.163   3.131 -1.4879 -0.2862 -1.8624
+ 5557TIP3   OH218118   2.265   0.220   5.384 -0.2844 -0.1292  0.0116
+ 5557TIP3    H118119   2.236   0.311   5.378 -2.1272 -0.6873  0.1228
+ 5557TIP3    H218120   2.280   0.206   5.477 -1.1347 -0.2652  0.1344
+ 5558TIP3   OH218121   3.722   1.824   4.089  0.7931 -0.6850 -0.4729
+ 5558TIP3    H118122   3.632   1.849   4.109  0.9195  0.8295 -1.6923
+ 5558TIP3    H218123   3.721   1.728   4.088 -0.2328 -0.7282  2.0050
+ 5559TIP3   OH218124   1.099   0.174   5.293  0.1560  0.1185 -0.0252
+ 5559TIP3    H118125   1.128   0.126   5.215  0.6037 -0.2132  0.3403
+ 5559TIP3    H218126   1.004   0.180   5.283  0.2410  0.3169 -0.7315
+ 5560TIP3   OH218127   1.463   0.161   5.513 -0.3537 -0.2005 -0.1809
+ 5560TIP3    H118128   1.479   0.128   5.602 -0.5298 -0.3749 -0.2132
+ 5560TIP3    H218129   1.507   0.098   5.456 -0.0598  0.0281 -0.2078
+ 5561TIP3   OH218130   2.138   1.113   5.387  0.3175 -0.3201 -0.0368
+ 5561TIP3    H118131   2.205   1.181   5.377  0.1832 -0.2344 -0.3493
+ 5561TIP3    H218132   2.187   1.033   5.403  0.4475  0.2624  2.7999
+ 5562TIP3   OH218133   1.655   2.065   3.516 -0.6326  0.1543 -0.0966
+ 5562TIP3    H118134   1.576   2.026   3.553 -0.0520 -0.8237  0.1433
+ 5562TIP3    H218135   1.630   2.092   3.428 -1.5117  0.7899  0.3423
+ 5563TIP3   OH218136   5.002   0.344   4.600 -0.2760 -0.0963  0.2500
+ 5563TIP3    H118137   5.069   0.275   4.603  0.2825  0.5059  2.4667
+ 5563TIP3    H218138   4.991   0.361   4.507  0.7949 -2.0090 -0.2753
+ 5564TIP3   OH218139   1.849   0.705   3.983  0.5176 -0.1440  0.1078
+ 5564TIP3    H118140   1.892   0.758   4.050 -0.0547 -0.1109  0.4500
+ 5564TIP3    H218141   1.817   0.768   3.918 -1.7381  0.1020  1.4057
+ 5565TIP3   OH218142   2.874   0.500   4.784 -0.1147  0.0404  0.1412
+ 5565TIP3    H118143   2.929   0.438   4.832 -1.5396 -2.0046 -0.8059
+ 5565TIP3    H218144   2.910   0.586   4.806  0.5460 -0.9664  3.2388
+ 5566TIP3   OH218145   1.655   1.888   4.313  0.0304 -0.1214  0.0946
+ 5566TIP3    H118146   1.707   1.899   4.393 -0.1682 -2.2996  0.5662
+ 5566TIP3    H218147   1.715   1.910   4.242  0.1263  2.1186  0.8391
+ 5567TIP3   OH218148   2.562   5.888   3.748  0.3662 -0.0189  0.3979
+ 5567TIP3    H118149   2.504   5.936   3.689  0.6360 -1.1561 -0.8117
+ 5567TIP3    H218150   2.650   5.906   3.714  0.5566 -0.2880  0.7499
+ 5568TIP3   OH218151   1.993   6.302   4.114 -0.3296 -0.3538  0.3617
+ 5568TIP3    H118152   1.899   6.286   4.101 -0.4340  0.8106 -0.3971
+ 5568TIP3    H218153   2.023   6.227   4.165 -0.5081 -3.7897 -4.2095
+ 5569TIP3   OH218154   6.716   0.400   2.733 -0.1064 -0.0363 -0.0452
+ 5569TIP3    H118155   6.691   0.338   2.665  0.7022  0.0643 -0.4348
+ 5569TIP3    H218156   6.802   0.369   2.764  1.0151  1.7327 -1.2915
+ 5570TIP3   OH218157   3.129   1.510   0.667 -0.0733 -0.1375 -0.9136
+ 5570TIP3    H118158   3.078   1.576   0.621 -2.0340 -2.4793 -2.2741
+ 5570TIP3    H218159   3.187   1.472   0.601 -0.0751 -0.8193 -0.5402
+ 5571TIP3   OH218160   1.356   0.364   5.656  0.2849 -0.1254  0.0991
+ 5571TIP3    H118161   1.384   0.301   5.590  0.5808 -0.5346  0.6174
+ 5571TIP3    H218162   1.268   0.390   5.628 -0.7989 -2.5455  1.1521
+ 5572TIP3   OH218163   3.448   1.629   4.193  0.0880  0.2947  0.4360
+ 5572TIP3    H118164   3.370   1.599   4.240  1.0575 -3.3019 -0.0817
+ 5572TIP3    H218165   3.462   1.562   4.126  1.5387  2.7861 -1.8311
+ 5573TIP3   OH218166   1.230   0.371   2.799  0.5624 -0.1150 -0.0565
+ 5573TIP3    H118167   1.259   0.348   2.711  0.8820  0.1778 -0.0276
+ 5573TIP3    H218168   1.309   0.400   2.844  0.6626 -1.6223  0.7802
+ 5574TIP3   OH218169   4.204   5.276   2.789 -0.5951  0.9176  0.0378
+ 5574TIP3    H118170   4.151   5.243   2.716  0.4231 -0.5386 -0.0723
+ 5574TIP3    H218171   4.183   5.369   2.794 -1.9090  0.7030 -1.0632
+ 5575TIP3   OH218172   2.899   6.639   4.925  0.6594  0.3907  0.0638
+ 5575TIP3    H118173   2.958   6.598   4.988 -0.9443 -0.9730  0.7221
+ 5575TIP3    H218174   2.902   6.581   4.848 -1.4204 -0.9127  0.9032
+ 5576TIP3   OH218175   2.414   1.009   2.887  0.2174  0.0059 -0.3166
+ 5576TIP3    H118176   2.444   1.080   2.831 -1.5440  0.0344 -1.2698
+ 5576TIP3    H218177   2.447   0.929   2.847  1.4040  0.2087  0.2347
+ 5577TIP3   OH218178   1.055   5.423   2.852  1.0100  0.5339 -0.5057
+ 5577TIP3    H118179   1.136   5.471   2.837  1.0196  0.8727  0.6082
+ 5577TIP3    H218180   1.054   5.405   2.946  0.7010 -1.1047 -0.8127
+ 5578TIP3   OH218181   3.257   0.791   4.208 -0.3886 -0.2591  0.2323
+ 5578TIP3    H118182   3.279   0.807   4.116 -0.8565  1.3935  0.3861
+ 5578TIP3    H218183   3.314   0.851   4.257 -1.6343  0.3969  0.9000
+ 5579TIP3   OH218184   1.693   0.643   3.425 -0.6179 -0.2683 -0.2095
+ 5579TIP3    H118185   1.777   0.676   3.458 -0.7798  1.4998 -1.4721
+ 5579TIP3    H218186   1.702   0.548   3.430  1.2364 -0.1045  0.2572
+ 5580TIP3   OH218187   1.074   0.721   4.504 -0.1806 -0.5252 -0.0726
+ 5580TIP3    H118188   1.137   0.792   4.516 -0.0730 -0.5055 -0.7366
+ 5580TIP3    H218189   0.999   0.763   4.460 -0.6079 -0.5709  0.6157
+ 5581TIP3   OH218190   0.748   6.611   4.262 -0.2586  0.0769 -0.1906
+ 5581TIP3    H118191   0.840   6.586   4.273  0.5524  3.2066  0.5336
+ 5581TIP3    H218192   0.705   6.531   4.231  2.6113 -1.5487 -0.1299
+ 5582TIP3   OH218193   2.384   3.875   6.397  0.0242  0.8583  0.2591
+ 5582TIP3    H118194   2.371   3.851   6.305 -0.7784  1.9397  0.0761
+ 5582TIP3    H218195   2.327   3.814   6.446  0.6472  0.1145  0.0641
+ 5583TIP3   OH218196   2.787   2.114   4.081 -0.2586 -0.3030  0.5572
+ 5583TIP3    H118197   2.697   2.117   4.047  0.2993  1.2673 -0.8220
+ 5583TIP3    H218198   2.810   2.205   4.096  2.2846 -0.3960 -2.2659
+ 5584TIP3   OH218199   1.199   5.976   4.005 -0.0699 -0.2328 -0.2315
+ 5584TIP3    H118200   1.170   6.053   4.054  0.1076 -0.5531  0.3810
+ 5584TIP3    H218201   1.175   5.995   3.915  1.7399  1.4403 -0.4210
+ 5585TIP3   OH218202   3.849   0.643   6.532  0.1777  0.0052 -0.0122
+ 5585TIP3    H118203   3.833   0.634   6.626  0.8836  0.6064  0.1749
+ 5585TIP3    H218204   3.835   0.556   6.496 -2.8567  0.3374  0.2255
+ 5586TIP3   OH218205   3.537   1.974   4.443 -0.8201  0.4469 -0.1353
+ 5586TIP3    H118206   3.513   1.975   4.350 -1.8762  2.5500  0.1521
+ 5586TIP3    H218207   3.598   1.900   4.450 -0.3474  0.5467 -2.5955
+ 5587TIP3   OH218208   2.966   0.049   3.716  0.1064  0.1126 -0.8680
+ 5587TIP3    H118209   2.877   0.065   3.748 -0.2137  1.4429 -2.3527
+ 5587TIP3    H218210   3.019   0.046   3.796 -1.1061  0.3961 -0.0292
+ 5588TIP3   OH218211   6.090   1.531   4.480 -0.9805  0.8657  0.2657
+ 5588TIP3    H118212   6.054   1.582   4.408 -0.2033 -0.3916 -1.0286
+ 5588TIP3    H218213   6.013   1.495   4.525 -1.4110 -0.0086 -1.1519
+ 5589TIP3   OH218214   2.322   2.145   5.426 -0.7677 -0.1840  0.1391
+ 5589TIP3    H118215   2.383   2.080   5.461 -1.2827  0.1008  1.5976
+ 5589TIP3    H218216   2.342   2.225   5.474 -1.7476  0.1273  0.0434
+ 5590TIP3   OH218217   2.196   0.106   3.963 -0.1978  0.6565 -0.5381
+ 5590TIP3    H118218   2.174   0.199   3.951  3.5111  1.4617 -1.7922
+ 5590TIP3    H218219   2.223   0.077   3.876  1.5502 -0.7907  0.4732
+ 5591TIP3   OH218220   2.681   0.353   3.345  0.0494 -0.8596 -0.6023
+ 5591TIP3    H118221   2.760   0.400   3.372  0.3966 -1.1315 -1.1064
+ 5591TIP3    H218222   2.694   0.338   3.251 -0.2829 -1.5168 -0.5458
+ 5592TIP3   OH218223   5.280   2.909   5.914  0.2346 -0.0010  0.2002
+ 5592TIP3    H118224   5.186   2.899   5.925 -0.1424  0.0645 -2.6756
+ 5592TIP3    H218225   5.295   3.004   5.918  0.1538  0.0044  0.3913
+ 5593TIP3   OH218226   2.377   1.501   4.530  0.5948  0.2270 -0.5869
+ 5593TIP3    H118227   2.360   1.555   4.453 -0.0359 -1.3793 -1.6093
+ 5593TIP3    H218228   2.294   1.500   4.578 -0.2820 -2.0801 -2.0450
+ 5594TIP3   OH218229   2.405   1.562   5.151 -0.1010 -0.0181  0.3709
+ 5594TIP3    H118230   2.361   1.645   5.169 -1.7683 -0.6944 -0.5151
+ 5594TIP3    H218231   2.414   1.559   5.056 -0.2174 -0.9492  0.3839
+ 5595TIP3   OH218232   0.787   0.469   4.825 -0.0806  0.1873  0.2325
+ 5595TIP3    H118233   0.743   0.396   4.780 -1.3900  0.3698  1.2032
+ 5595TIP3    H218234   0.777   0.543   4.765  1.7556 -0.5308 -1.0283
+ 5596TIP3   OH218235   6.819   5.881   3.645 -0.2892  0.5140 -0.1769
+ 5596TIP3    H118236   6.908   5.846   3.636 -0.4722  0.6701 -3.0805
+ 5596TIP3    H218237   6.773   5.850   3.567 -2.8296  0.3565  1.3375
+ 5597TIP3   OH218238   1.117   2.447   4.008  0.7552 -0.0663 -0.0987
+ 5597TIP3    H118239   1.096   2.531   3.968  0.3326 -0.0600  0.1365
+ 5597TIP3    H218240   1.051   2.387   3.973  0.3352 -0.0450  0.6464
+ 5598TIP3   OH218241   5.241   0.902   4.642 -0.0802  0.6069  0.3654
+ 5598TIP3    H118242   5.152   0.868   4.638 -0.0278  0.6356 -1.0347
+ 5598TIP3    H218243   5.239   0.983   4.592  1.4270 -0.9566 -2.3392
+ 5599TIP3   OH218244   1.485   6.084   3.344  0.5370  0.4912  0.1220
+ 5599TIP3    H118245   1.507   6.173   3.318  0.4160  0.3860 -0.3381
+ 5599TIP3    H218246   1.401   6.066   3.303  0.4391  0.2537  0.4202
+ 5600TIP3   OH218247   4.287   0.230   4.532  0.2878 -0.2094  0.3405
+ 5600TIP3    H118248   4.372   0.274   4.520 -0.3251  0.6440 -0.9410
+ 5600TIP3    H218249   4.254   0.216   4.443 -0.4791 -1.4346  0.7963
+ 5601TIP3   OH218250   0.820   1.199   0.127  0.0774 -0.2831 -0.8253
+ 5601TIP3    H118251   0.908   1.178   0.157  0.4208  1.3678 -0.6859
+ 5601TIP3    H218252   0.812   1.293   0.136 -1.3812 -0.2963 -1.7265
+ 5602TIP3   OH218253   1.406   2.202   4.086  0.5179  0.6565  0.4502
+ 5602TIP3    H118254   1.333   2.184   4.146 -0.8672  1.1401 -1.0382
+ 5602TIP3    H218255   1.484   2.199   4.141 -0.6528  0.3947  2.1384
+ 5603TIP3   OH218256   1.682   2.549   6.720  0.4394 -0.4989 -0.0076
+ 5603TIP3    H118257   1.706   2.470   6.672  1.3563 -0.5384  0.5143
+ 5603TIP3    H218258   1.614   2.521   6.781 -0.8196 -0.4295 -1.3301
+ 5604TIP3   OH218259   3.507   3.646   5.028 -0.1774 -0.5104 -0.3345
+ 5604TIP3    H118260   3.427   3.673   4.983 -1.5170 -0.5725  1.9252
+ 5604TIP3    H218261   3.487   3.659   5.121  1.6806 -2.5785  0.3799
+ 5605TIP3   OH218262   2.208   2.387   4.549  0.6409 -0.1770  0.2830
+ 5605TIP3    H118263   2.217   2.298   4.581  1.2119 -0.2586 -0.1101
+ 5605TIP3    H218264   2.268   2.393   4.475 -2.4785 -0.7593 -2.4435
+ 5606TIP3   OH218265   1.046   0.113   4.369 -0.3610 -0.4920 -0.6119
+ 5606TIP3    H118266   1.106   0.061   4.316  2.0562  2.2217 -0.6583
+ 5606TIP3    H218267   1.094   0.132   4.449 -1.8128  0.3114  0.0963
+ 5607TIP3   OH218268   4.505   2.182   5.690  0.1449 -0.3448  0.0275
+ 5607TIP3    H118269   4.575   2.190   5.754 -0.5052 -2.5975  1.0728
+ 5607TIP3    H218270   4.544   2.214   5.608  2.0773 -0.6420  0.8010
+ 5608TIP3   OH218271   2.997   0.243   4.075 -0.2116 -0.2325 -0.0126
+ 5608TIP3    H118272   2.965   0.297   4.002  1.1680  0.0763 -0.4192
+ 5608TIP3    H218273   2.979   0.153   4.048  0.0721 -0.1075 -0.6341
+ 5609TIP3   OH218274   2.577   6.735   4.538  0.9111  0.4857  0.3244
+ 5609TIP3    H118275   2.498   6.752   4.487  2.2655 -0.7652 -2.3362
+ 5609TIP3    H218276   2.649   6.751   4.477  2.6765  0.4713  2.3346
+ 5610TIP3   OH218277   4.306   0.889   5.574  0.2179  0.2694 -0.0474
+ 5610TIP3    H118278   4.339   0.816   5.627  0.4649  0.3860 -0.0398
+ 5610TIP3    H218279   4.336   0.869   5.485  2.8164  1.8403  0.4279
+ 5611TIP3   OH218280   3.775   0.803   6.312  0.6375 -0.1527  0.4291
+ 5611TIP3    H118281   3.679   0.793   6.314  0.6604 -0.6539 -0.6104
+ 5611TIP3    H218282   3.805   0.761   6.392  0.0864 -1.1828  0.1038
+ 5612TIP3   OH218283   4.721   0.176   0.769  0.3745 -0.3479  0.2803
+ 5612TIP3    H118284   4.660   0.247   0.789 -0.9034 -1.4470  0.3372
+ 5612TIP3    H218285   4.667   0.110   0.724  1.2817 -1.7996  1.2831
+ 5613TIP3   OH218286   3.640   6.855   1.643 -0.4738  0.1716 -0.5426
+ 5613TIP3    H118287   3.617   6.830   1.733  1.4775 -0.0044 -0.0777
+ 5613TIP3    H218288   3.595   6.790   1.589 -0.4273 -0.6450  0.3825
+ 5614TIP3   OH218289   0.963   6.435   4.282 -0.2509 -0.0854  0.1061
+ 5614TIP3    H118290   1.044   6.461   4.326  0.6625 -4.3906  1.1951
+ 5614TIP3    H218291   0.975   6.464   4.191  1.5766  1.2207  0.7297
+ 5615TIP3   OH218292   1.087   0.459   4.513 -0.5103  1.1065  0.2638
+ 5615TIP3    H118293   1.056   0.549   4.506  1.0202  2.0399  4.2956
+ 5615TIP3    H218294   1.180   0.463   4.489 -1.2881 -0.1949 -3.4073
+ 5616TIP3   OH218295   3.821   0.078   2.464 -0.0438  0.5456  0.7967
+ 5616TIP3    H118296   3.733   0.115   2.464 -0.1486  0.3094 -0.0016
+ 5616TIP3    H218297   3.858   0.105   2.380  0.0434 -0.7651  0.4063
+ 5617TIP3   OH218298   4.063   1.525   6.212  0.1408  0.1293 -0.0642
+ 5617TIP3    H118299   4.106   1.481   6.284 -0.2912 -1.3486 -0.6980
+ 5617TIP3    H218300   4.132   1.577   6.170  0.5847  0.2732  0.8351
+ 5618TIP3   OH218301   3.749   0.149   3.752 -0.6456  0.4325 -0.1135
+ 5618TIP3    H118302   3.710   0.149   3.839 -1.1745  0.8988 -0.3472
+ 5618TIP3    H218303   3.841   0.170   3.767 -0.5812 -0.2376  0.4010
+ 5619TIP3   OH218304   3.685   0.692   3.679 -0.3794  0.0200  0.1346
+ 5619TIP3    H118305   3.738   0.616   3.702  1.1975  0.7148 -1.1168
+ 5619TIP3    H218306   3.747   0.753   3.639 -1.3573  2.4836  2.2348
+ 5620TIP3   OH218307   0.718   6.004   4.320 -0.2461 -0.1576  0.4983
+ 5620TIP3    H118308   0.715   6.014   4.225 -1.0584 -1.9043  0.3188
+ 5620TIP3    H218309   0.627   6.015   4.348  0.0133  0.4961  1.0867
+ 5621TIP3   OH218310   5.704   4.020   5.366  0.3823 -0.2258 -0.2830
+ 5621TIP3    H118311   5.768   4.088   5.385 -0.2004  0.2390  0.0309
+ 5621TIP3    H218312   5.678   4.036   5.275  2.1883 -1.6426 -1.0809
+ 5622TIP3   OH218313   2.081   1.960   3.262  0.2885  0.5306  1.1553
+ 5622TIP3    H118314   2.116   2.021   3.197  0.2506 -0.2993  0.3425
+ 5622TIP3    H218315   2.018   2.011   3.312 -1.3502  0.6127 -0.9329
+ 5623TIP3   OH218316   1.035   1.265   2.951  0.1744 -0.0215 -0.8068
+ 5623TIP3    H118317   0.970   1.309   2.896 -0.2047 -1.1420 -1.2673
+ 5623TIP3    H218318   1.035   1.315   3.032 -1.0790  0.1601 -0.9056
+ 5624TIP3   OH218319   0.397   6.309   4.685  0.5635  0.0808  0.6029
+ 5624TIP3    H118320   0.466   6.291   4.621  1.1085  0.2178  1.1374
+ 5624TIP3    H218321   0.445   6.343   4.761 -0.1997  1.2836  0.5580
+ 5625TIP3   OH218322   0.473   0.872   5.682 -0.2948  0.2711 -0.4400
+ 5625TIP3    H118323   0.523   0.928   5.741 -1.0083 -0.7725  1.1949
+ 5625TIP3    H218324   0.534   0.802   5.658 -0.3854  0.0016  0.0957
+ 5626TIP3   OH218325   0.121   1.143   6.528  0.0857  0.9385  0.4749
+ 5626TIP3    H118326   0.126   1.095   6.611  0.4630  2.1276  1.1468
+ 5626TIP3    H218327   0.040   1.111   6.487  0.7204 -0.8327  0.5453
+ 5627TIP3   OH218328   4.803   0.564   4.446 -0.2979  0.0343 -0.1785
+ 5627TIP3    H118329   4.785   0.498   4.380  4.0006 -0.2779 -1.1599
+ 5627TIP3    H218330   4.876   0.615   4.411 -0.3624  2.2552  2.6947
+ 5628TIP3   OH218331   2.659   0.567   3.760  0.7173  0.4777  0.3306
+ 5628TIP3    H118332   2.686   0.624   3.688  3.6550 -0.0609  0.9401
+ 5628TIP3    H218333   2.727   0.579   3.827 -0.6931 -0.8292  2.0540
+ 5629TIP3   OH218334   1.661   2.370   4.030  0.2122  0.2848  0.4459
+ 5629TIP3    H118335   1.683   2.314   4.105 -0.4541  3.7904  3.3847
+ 5629TIP3    H218336   1.743   2.379   3.982  1.0729 -0.6426  1.7032
+ 5630TIP3   OH218337   5.989   5.538   6.777 -0.0644  0.1769  0.0516
+ 5630TIP3    H118338   6.018   5.615   6.825 -0.4968 -0.3924  1.2673
+ 5630TIP3    H218339   5.899   5.524   6.807 -0.6225  0.2793 -1.5463
+ 5631TIP3   OH218340   3.023   5.078   3.274 -0.4160  0.2378  0.5035
+ 5631TIP3    H118341   2.997   5.169   3.285 -0.7453 -0.2679  4.3176
+ 5631TIP3    H218342   2.965   5.029   3.331 -0.6014 -2.4871 -1.9038
+ 5632TIP3   OH218343   2.546   6.742   3.159 -0.3228 -0.0478 -0.5249
+ 5632TIP3    H118344   2.513   6.824   3.123 -0.8647  0.0705  0.2097
+ 5632TIP3    H218345   2.581   6.694   3.084  0.8461  1.2424 -0.8230
+ 5633TIP3   OH218346   1.720   1.089   3.015  0.2808 -0.1481 -0.3383
+ 5633TIP3    H118347   1.793   1.142   2.984  0.6987 -0.7136 -0.3292
+ 5633TIP3    H218348   1.742   1.000   2.988  0.7057 -0.6675  1.6474
+ 5634TIP3   OH218349   2.036   2.647   2.152  0.5112  0.0963 -0.0460
+ 5634TIP3    H118350   1.979   2.710   2.196 -0.5648  0.2584 -1.6494
+ 5634TIP3    H218351   2.120   2.692   2.144  0.4150  0.4477  0.8969
+ 5635TIP3   OH218352   3.954   3.660   5.665 -0.5014  0.0702  0.0388
+ 5635TIP3    H118353   3.936   3.569   5.642  0.1017 -0.1648  0.4899
+ 5635TIP3    H218354   4.033   3.656   5.719 -0.5611  0.8456  0.1866
+ 5636TIP3   OH218355   4.478   0.186   0.325  0.3140 -0.4475  0.3794
+ 5636TIP3    H118356   4.404   0.139   0.289 -0.7803  1.2817  0.3040
+ 5636TIP3    H218357   4.555   0.144   0.286 -0.7053 -0.7611 -1.3372
+ 5637TIP3   OH218358   0.974   0.599   3.655 -0.0050  0.1558 -0.1581
+ 5637TIP3    H118359   1.039   0.669   3.646  1.4563 -1.2106 -0.5056
+ 5637TIP3    H218360   0.928   0.599   3.570 -0.6107  1.2555  0.1604
+ 5638TIP3   OH218361   2.404   0.024   4.794 -0.3777 -0.1015  0.0868
+ 5638TIP3    H118362   2.415  -0.021   4.877 -0.7026  0.2422  0.3151
+ 5638TIP3    H218363   2.482   0.001   4.744  0.9016  1.4790  1.3013
+ 5639TIP3   OH218364   1.915   6.309   4.736 -0.2910  0.2011 -0.1243
+ 5639TIP3    H118365   1.990   6.365   4.754 -0.3838  0.3945 -0.3388
+ 5639TIP3    H218366   1.934   6.269   4.651  0.5543 -1.3850  0.7987
+ 5640TIP3   OH218367   3.387   1.179   3.599 -0.1017 -1.0436 -0.5451
+ 5640TIP3    H118368   3.426   1.227   3.672  1.7302 -0.0620 -2.1122
+ 5640TIP3    H218369   3.347   1.246   3.545  0.1848 -1.5563 -1.4034
+ 5641TIP3   OH218370   2.126   1.579   4.586 -0.3743 -0.2633 -0.0233
+ 5641TIP3    H118371   2.065   1.533   4.529 -0.2668  1.4889 -1.6097
+ 5641TIP3    H218372   2.071   1.626   4.649 -0.5859 -0.3062 -0.1791
+ 5642TIP3   OH218373   0.305   6.587   5.222  0.3867  0.0878  0.0065
+ 5642TIP3    H118374   0.259   6.625   5.297  1.9039  0.5617  0.7245
+ 5642TIP3    H218375   0.290   6.493   5.230  0.4518  0.1448  0.8546
+ 5643TIP3   OH218376   6.221   4.278   6.294 -0.5230  0.0918 -0.2295
+ 5643TIP3    H118377   6.311   4.263   6.265 -0.8324 -1.4743 -0.3992
+ 5643TIP3    H218378   6.170   4.285   6.214 -0.7398 -0.1659 -0.1131
+ 5644TIP3   OH218379   6.491   0.515   2.813 -0.7083  0.1722  0.1100
+ 5644TIP3    H118380   6.581   0.492   2.790 -0.3059  0.7172  1.1123
+ 5644TIP3    H218381   6.498   0.600   2.856 -1.7327  0.3317 -0.0237
+ 5645TIP3   OH218382   2.153   1.138   5.725 -0.4755  0.4118 -0.0906
+ 5645TIP3    H118383   2.237   1.148   5.680  0.8999  2.3189  2.7558
+ 5645TIP3    H218384   2.175   1.143   5.818 -3.4255 -1.7892  0.8082
+ 5646TIP3   OH218385   2.351   2.004   4.216 -0.3951  0.1418  0.2228
+ 5646TIP3    H118386   2.300   1.942   4.165 -0.1902  0.1042  0.0620
+ 5646TIP3    H218387   2.421   2.032   4.157 -0.2836  0.2604  0.4103
+ 5647TIP3   OH218388   3.355   2.251   0.511 -0.1595  0.2885 -0.4473
+ 5647TIP3    H118389   3.264   2.279   0.500  0.6818  2.5678 -1.8318
+ 5647TIP3    H218390   3.390   2.310   0.577  0.3754 -0.4572 -0.0650
+ 5648TIP3   OH218391   5.086   1.223   4.894 -0.2094  0.0575  0.4857
+ 5648TIP3    H118392   5.000   1.189   4.867  0.9241 -2.2872 -0.3814
+ 5648TIP3    H218393   5.109   1.171   4.971  0.6440  0.3205  0.4101
+ 5649TIP3   OH218394   2.906   1.931   3.003 -0.3749  0.0818  0.4586
+ 5649TIP3    H118395   2.887   2.015   3.044 -0.3978 -0.6389  1.9541
+ 5649TIP3    H218396   2.856   1.931   2.922 -2.2077  0.5713  1.5641
+ 5650TIP3   OH218397   2.187   0.481   5.429  0.3122  0.2206 -0.3196
+ 5650TIP3    H118398   2.098   0.517   5.420 -0.8184 -2.5011 -0.6781
+ 5650TIP3    H218399   2.189   0.446   5.518  1.1398  0.5045 -0.2272
+ 5651TIP3   OH218400   3.175   1.628   5.731 -0.3114  0.0575  0.2319
+ 5651TIP3    H118401   3.153   1.540   5.699 -0.5556  0.1274  0.2049
+ 5651TIP3    H218402   3.169   1.621   5.826 -0.7393  0.1509  0.2118
+ 5652TIP3   OH218403   1.624   1.694   6.197  0.2663 -0.0705 -0.4806
+ 5652TIP3    H118404   1.613   1.709   6.103  0.0292  0.8580 -0.3040
+ 5652TIP3    H218405   1.694   1.754   6.223 -0.2939  0.3301  0.1161
+ 5653TIP3   OH218406   1.869   1.183   4.331  0.3301 -0.0612 -0.1521
+ 5653TIP3    H118407   1.908   1.220   4.252  1.9678 -0.9257  0.2179
+ 5653TIP3    H218408   1.780   1.157   4.305  1.6249 -2.4788 -2.3824
+ 5654TIP3   OH218409   1.394   5.452   2.533  0.1089 -0.0531  0.3590
+ 5654TIP3    H118410   1.359   5.373   2.490  1.6735 -0.0668 -0.9421
+ 5654TIP3    H218411   1.464   5.419   2.590  1.2720  0.4417 -0.7519
+ 5655TIP3   OH218412   3.661   2.122   4.087 -0.8366  1.0248 -0.0809
+ 5655TIP3    H118413   3.721   2.091   4.155  0.7560  0.9821 -1.4482
+ 5655TIP3    H218414   3.574   2.110   4.123 -0.0503 -0.0749  1.4870
+ 5656TIP3   OH218415   6.053   1.864   1.496 -0.1282 -0.2083  0.3652
+ 5656TIP3    H118416   5.977   1.806   1.489  0.9267 -1.6527  0.7120
+ 5656TIP3    H218417   6.128   1.807   1.478  0.8797  1.1891  0.0978
+ 5657TIP3   OH218418   2.265   1.309   5.216 -0.1040 -0.8535 -0.2531
+ 5657TIP3    H118419   2.325   1.383   5.202  0.6894 -0.8695  2.7921
+ 5657TIP3    H218420   2.179   1.344   5.193  0.5411  0.4133 -0.8109
+ 5658TIP3   OH218421   2.024   1.815   4.388  0.2945 -0.3276  1.1051
+ 5658TIP3    H118422   2.033   1.720   4.388 -0.2256 -0.3838  2.2127
+ 5658TIP3    H218423   2.053   1.842   4.300  0.0416 -1.5370  0.6404
+ 5659TIP3   OH218424   3.956   2.895   5.048 -0.2139 -0.0859 -0.8930
+ 5659TIP3    H118425   3.898   2.951   5.100  1.0487 -0.1019  0.5844
+ 5659TIP3    H218426   3.995   2.955   4.984 -0.8617  0.1751 -1.0532
+ 5660TIP3   OH218427   2.143   0.948   2.888 -0.2203 -0.4734 -0.3817
+ 5660TIP3    H118428   2.128   1.042   2.886 -2.0350 -0.7294 -0.3497
+ 5660TIP3    H218429   2.232   0.937   2.919 -0.2775  1.2121  0.3774
+ 5661TIP3   OH218430   0.905   6.776   3.964  0.5247  0.8212 -0.0947
+ 5661TIP3    H118431   0.821   6.754   3.924  0.4414 -0.0264  0.5265
+ 5661TIP3    H218432   0.953   6.821   3.895  1.9540 -4.0727 -2.5684
+ 5662TIP3   OH218433   1.317   0.794   5.807  0.4767  0.3244 -0.0496
+ 5662TIP3    H118434   1.379   0.724   5.827  0.1117  0.3898  1.3677
+ 5662TIP3    H218435   1.232   0.759   5.832  0.2774  1.2310  0.5986
+ 5663TIP3   OH218436   2.729   5.851   3.974  0.1487  0.1093  0.4395
+ 5663TIP3    H118437   2.774   5.935   3.981 -0.3045  0.4558 -0.7335
+ 5663TIP3    H218438   2.671   5.860   3.898 -0.0476 -1.1933  0.4102
+ 5664TIP3   OH218439   2.147   6.731   4.450  0.1086  0.3520 -0.1666
+ 5664TIP3    H118440   2.152   6.761   4.359  0.5293  2.7218  0.6049
+ 5664TIP3    H218441   2.071   6.673   4.452 -1.5581  2.4496 -1.4400
+ 5665TIP3   OH218442   6.659   2.684   2.765 -0.0642  0.8475 -0.2304
+ 5665TIP3    H118443   6.651   2.595   2.729  0.2529  0.1095  1.4819
+ 5665TIP3    H218444   6.731   2.723   2.715 -2.8730  1.6293 -3.8829
+ 5666TIP3   OH218445   1.211   5.738   6.195  0.1978  0.0347 -0.0170
+ 5666TIP3    H118446   1.296   5.744   6.150 -0.2087  2.4890 -0.5243
+ 5666TIP3    H218447   1.174   5.656   6.164  2.1500 -0.7960 -0.2291
+ 5667TIP3   OH218448   4.094   6.185   0.038  0.3965  0.4755  0.4668
+ 5667TIP3    H118449   4.082   6.258  -0.024  0.1939 -0.4421 -0.6007
+ 5667TIP3    H218450   4.164   6.214   0.096  2.2564  0.4075 -1.6643
+ 5668TIP3   OH218451   1.568   0.767   4.134 -0.5186  0.3102  0.1100
+ 5668TIP3    H118452   1.648   0.717   4.149 -1.4258 -0.7430  1.5725
+ 5668TIP3    H218453   1.596   0.858   4.132  0.7701 -0.0767  0.1808
+ 5669TIP3   OH218454   2.292   1.574   3.158 -0.2522  0.0256  0.7167
+ 5669TIP3    H118455   2.296   1.480   3.172 -0.9440  0.0078  0.7991
+ 5669TIP3    H218456   2.301   1.584   3.063  1.0959 -0.0440  0.8288
+ 5670TIP3   OH218457   1.519   5.772   3.312  0.3578  0.0207  0.4247
+ 5670TIP3    H118458   1.567   5.849   3.283  0.2194  0.5298  1.5211
+ 5670TIP3    H218459   1.447   5.807   3.365 -2.3634 -0.5977 -2.7288
+ 5671TIP3   OH218460   2.248   1.156   6.409  0.2072  0.2033 -0.2078
+ 5671TIP3    H118461   2.305   1.089   6.370 -0.2327 -0.9333  1.0420
+ 5671TIP3    H218462   2.243   1.132   6.501 -0.5373  1.5648  0.1174
+ 5672TIP3   OH218463   1.803   6.557   2.884 -0.5790  0.3931 -0.1193
+ 5672TIP3    H118464   1.890   6.554   2.923 -0.9262 -0.1217  0.6332
+ 5672TIP3    H218465   1.806   6.491   2.814 -0.3518  0.4212 -0.1375
+ 5673TIP3   OH218466   3.862   1.652   0.935  0.4457  0.7335 -0.4980
+ 5673TIP3    H118467   3.799   1.580   0.937 -1.0134  1.9708 -0.5036
+ 5673TIP3    H218468   3.908   1.647   1.018  1.1333 -0.8600 -0.9576
+ 5674TIP3   OH218469   2.237   0.249   4.873  0.3948  0.2889 -0.5859
+ 5674TIP3    H118470   2.299   0.181   4.847 -0.0690 -0.8197  1.0933
+ 5674TIP3    H218471   2.286   0.304   4.934  0.1322  0.2176 -0.3097
+ 5675TIP3   OH218472   3.729   1.052   0.357  0.9218 -0.4630  0.1923
+ 5675TIP3    H118473   3.809   1.059   0.304  0.2805 -0.9714 -0.8650
+ 5675TIP3    H218474   3.692   1.141   0.355 -0.1508 -0.9073 -1.9363
+ 5676TIP3   OH218475   2.889   1.389   5.495 -0.1189 -0.3106  0.2579
+ 5676TIP3    H118476   2.956   1.323   5.475 -0.3643 -0.6353  0.4875
+ 5676TIP3    H218477   2.850   1.409   5.410  1.1241  0.8231 -0.0584
+ 5677TIP3   OH218478   6.667   0.175   3.004  0.4110 -0.6568  0.1236
+ 5677TIP3    H118479   6.708   0.217   2.928 -0.4536 -0.1592 -0.0766
+ 5677TIP3    H218480   6.694   0.083   2.998  1.4778 -0.3451 -0.0096
+ 5678TIP3   OH218481   6.479   2.624   5.120  0.3740  0.5887  0.1614
+ 5678TIP3    H118482   6.441   2.599   5.036  0.5510  0.4343  0.1258
+ 5678TIP3    H218483   6.568   2.587   5.117  0.5339  0.9664  0.2310
+ 5679TIP3   OH218484   2.399   1.678   3.375 -0.1061 -0.5061 -0.3991
+ 5679TIP3    H118485   2.373   1.656   3.286  0.9647 -0.7636 -0.6550
+ 5679TIP3    H218486   2.486   1.716   3.367 -0.5966  0.8070  0.3985
+ 5680TIP3   OH218487   2.118   3.207   6.761  0.2237 -0.7100  0.2436
+ 5680TIP3    H118488   2.088   3.207   6.670  1.1441  0.5707 -0.0910
+ 5680TIP3    H218489   2.212   3.189   6.755  0.4229  0.0706  0.8823
+ 5681TIP3   OH218490   5.711   2.594   3.177  0.1689  0.0810 -0.5410
+ 5681TIP3    H118491   5.616   2.604   3.179  0.1280 -0.3051  3.6909
+ 5681TIP3    H218492   5.727   2.526   3.112 -2.6868 -1.7115  0.5377
+ 5682TIP3   OH218493   1.000   2.820   3.221  0.5122 -0.2273 -0.6296
+ 5682TIP3    H118494   0.967   2.871   3.147  0.7619  1.0775  0.1429
+ 5682TIP3    H218495   0.924   2.810   3.279  0.4334 -0.8419 -0.8380
+ 5683TIP3   OH218496   0.894   5.803   4.391  0.2533 -0.3411  0.1490
+ 5683TIP3    H118497   0.817   5.859   4.377  0.7094 -0.0573 -1.3057
+ 5683TIP3    H218498   0.940   5.805   4.307  1.1404 -1.5949  0.6034
+ 5684TIP3   OH218499   1.773   0.525   4.495  0.1693 -0.3739  0.2225
+ 5684TIP3    H118500   1.775   0.448   4.552 -0.8296  0.3945  1.3215
+ 5684TIP3    H218501   1.720   0.589   4.543 -0.2268  0.4865 -1.3313
+ 5685TIP3   OH218502   3.031   1.500   3.122  0.2333 -0.1772  0.0157
+ 5685TIP3    H118503   2.951   1.517   3.173  0.0146  0.4914 -0.5413
+ 5685TIP3    H218504   3.012   1.536   3.035  0.7448 -0.9800 -0.4307
+ 5686TIP3   OH218505   1.190   0.557   4.118 -0.1320 -0.0748 -0.2959
+ 5686TIP3    H118506   1.140   0.512   4.187 -1.7717  0.5887 -1.0330
+ 5686TIP3    H218507   1.164   0.513   4.037  1.0819 -0.2247 -0.6163
+ 5687TIP3   OH218508   1.807   2.072   5.415 -0.1559 -0.1344 -0.2259
+ 5687TIP3    H118509   1.719   2.082   5.450 -0.2764 -1.6250 -0.0848
+ 5687TIP3    H218510   1.795   2.073   5.320  0.0647  2.9377 -0.2784
+ 5688TIP3   OH218511   1.850   5.867   4.448 -0.0703 -0.1051 -0.5192
+ 5688TIP3    H118512   1.762   5.883   4.483  0.3646  0.6614  0.2409
+ 5688TIP3    H218513   1.853   5.917   4.367  0.0616  0.8230  0.0506
+ 5689TIP3   OH218514   3.804   1.623  -0.024 -0.4239 -0.2163 -0.2767
+ 5689TIP3    H118515   3.810   1.716   0.001 -1.7819 -0.0731 -0.4763
+ 5689TIP3    H218516   3.851   1.577   0.045  1.1654  0.7041 -0.7079
+ 5690TIP3   OH218517   1.284   1.346   3.362 -0.2414 -0.0388 -0.0800
+ 5690TIP3    H118518   1.281   1.250   3.355 -1.4403  0.0192 -0.5204
+ 5690TIP3    H218519   1.376   1.366   3.377  0.1461 -1.2146 -0.7895
+ 5691TIP3   OH218520   3.418   2.721   1.281 -0.6237 -0.0205  0.1210
+ 5691TIP3    H118521   3.377   2.786   1.339 -1.2492  0.3266 -0.7010
+ 5691TIP3    H218522   3.505   2.758   1.262 -0.8239  0.3852 -0.0194
+ 5692TIP3   OH218523   3.515   0.611   3.431 -0.7069  0.4029  0.3448
+ 5692TIP3    H118524   3.552   0.581   3.514  0.1318  0.2835 -0.0558
+ 5692TIP3    H218525   3.496   0.704   3.445  1.3637  0.9025  0.0389
+ 5693TIP3   OH218526   2.333   0.457   5.854  0.1547  0.2409 -0.2918
+ 5693TIP3    H118527   2.381   0.382   5.820 -0.8195 -0.6445  0.2415
+ 5693TIP3    H218528   2.250   0.456   5.806 -0.6531 -0.1938  1.0690
+ 5694TIP3   OH218529   2.118   5.444   5.276  0.3511 -0.1951  0.3269
+ 5694TIP3    H118530   2.186   5.476   5.216  0.7665  0.4438  1.1213
+ 5694TIP3    H218531   2.096   5.521   5.329 -1.4123 -0.2480 -0.3098
+ 5695TIP3   OH218532   4.398   0.569   6.673  0.1915 -0.1650  0.4221
+ 5695TIP3    H118533   4.452   0.523   6.608 -0.8270 -0.6814 -0.0654
+ 5695TIP3    H218534   4.314   0.524   6.671 -0.9719  1.9461 -0.3449
+ 5696TIP3   OH218535   2.657   2.057   4.974  0.5501 -0.2130 -0.1609
+ 5696TIP3    H118536   2.731   2.117   4.980  0.4519  0.0395 -1.3476
+ 5696TIP3    H218537   2.596   2.088   5.041  1.6019 -0.5562  0.9700
+ 5697TIP3   OH218538   4.228   1.209   4.842  0.0223  0.7232  0.9553
+ 5697TIP3    H118539   4.198   1.177   4.928 -2.3654  0.1651 -0.0309
+ 5697TIP3    H218540   4.295   1.273   4.863  1.0645 -0.9947  3.1748
+ 5698TIP3   OH218541   1.178   2.155   4.273  0.6554 -0.3183 -0.2600
+ 5698TIP3    H118542   1.170   2.143   4.368 -0.3523 -1.6423 -0.4895
+ 5698TIP3    H218543   1.101   2.205   4.249  1.4661  0.9612 -0.2468
+ 5699TIP3   OH218544   2.783   0.586   4.472  0.0386 -0.1082 -0.0658
+ 5699TIP3    H118545   2.725   0.540   4.532 -1.3642  1.7516  0.0510
+ 5699TIP3    H218546   2.817   0.518   4.413 -1.9080 -1.2900  0.1567
+ 5700TIP3   OH218547   2.051   1.194   0.857 -0.0066  0.1446  0.1616
+ 5700TIP3    H118548   2.011   1.155   0.936 -1.6134  1.7098  0.1543
+ 5700TIP3    H218549   1.977   1.225   0.806  1.0681 -0.3047 -1.7058
+ 5701TIP3   OH218550   2.059   2.464   4.267 -0.6014  0.1763  0.2118
+ 5701TIP3    H118551   2.028   2.374   4.262 -0.7069  0.2262 -0.0726
+ 5701TIP3    H218552   2.132   2.461   4.329  0.4537 -0.4053 -1.0294
+ 5702TIP3   OH218553   2.684   0.906   3.104 -0.5773 -0.1179 -0.2843
+ 5702TIP3    H118554   2.631   0.845   3.053 -2.5292  3.6074 -2.9803
+ 5702TIP3    H218555   2.758   0.927   3.047  0.7932 -0.9187  1.1566
+ 5703TIP3   OH218556   2.153   5.756   3.526 -0.4310  0.4198  0.7623
+ 5703TIP3    H118557   2.061   5.760   3.497  0.4334  1.9687 -1.9989
+ 5703TIP3    H218558   2.192   5.686   3.473  0.4570  1.1508  0.4396
+ 5704TIP3   OH218559   1.822   2.031   4.153 -0.1627  0.1426  0.5895
+ 5704TIP3    H118560   1.854   2.121   4.164  0.3329  0.3117 -1.8785
+ 5704TIP3    H218561   1.845   2.009   4.062 -1.3121 -2.0618  0.8136
+ 5705TIP3   OH218562   0.500   1.566   2.460  0.0375 -0.3821 -0.2982
+ 5705TIP3    H118563   0.584   1.606   2.438 -0.0450  0.0445  0.1583
+ 5705TIP3    H218564   0.466   1.534   2.376  0.8699 -0.9797 -0.4074
+ 5706TIP3   OH218565   1.786   1.452   3.662 -0.0545  0.2492  0.2478
+ 5706TIP3    H118566   1.695   1.424   3.649 -0.1485  1.4983 -2.1262
+ 5706TIP3    H218567   1.838   1.382   3.624 -0.1575  1.0900 -1.5026
+ 5707TIP3   OH218568   0.907   2.555   1.944 -0.2424  0.4072  0.0799
+ 5707TIP3    H118569   0.854   2.538   2.021 -0.6437  1.5298  0.0640
+ 5707TIP3    H218570   0.949   2.639   1.962  2.1028 -0.7930  0.4003
+ 5708TIP3   OH218571   4.128   2.762   6.727 -0.3775  0.0057  0.0365
+ 5708TIP3    H118572   4.088   2.772   6.641 -1.8996 -1.6521  0.5223
+ 5708TIP3    H218573   4.057   2.780   6.789  0.4978  0.3874  0.9428
+ 5709TIP3   OH218574   1.972   6.529   4.446 -0.4108  0.2126 -0.3625
+ 5709TIP3    H118575   1.941   6.456   4.500 -0.7784 -1.6214 -2.9108
+ 5709TIP3    H218576   1.906   6.537   4.377  0.9592  1.2383 -1.5974
+ 5710TIP3   OH218577   4.282   0.767   3.370 -1.0169 -0.0883  0.1190
+ 5710TIP3    H118578   4.307   0.768   3.278  0.7116 -1.2422  0.5511
+ 5710TIP3    H218579   4.198   0.721   3.371 -0.3009 -1.4511 -0.7200
+ 5711TIP3   OH218580   2.734   6.765   3.889  0.2360 -0.1381 -0.0861
+ 5711TIP3    H118581   2.701   6.834   3.947  0.2145 -0.0158 -0.2431
+ 5711TIP3    H218582   2.656   6.715   3.865  0.4401 -1.0408  1.1069
+ 5712TIP3   OH218583   3.959   0.626   5.343 -0.1083 -0.4895  0.5979
+ 5712TIP3    H118584   3.919   0.549   5.383 -1.0000 -0.1314  0.4068
+ 5712TIP3    H218585   3.885   0.680   5.315  0.4603 -1.1702 -2.3798
+ 5713TIP3   OH218586   2.711   6.191   4.389  0.1193  0.4195 -0.1675
+ 5713TIP3    H118587   2.728   6.140   4.468 -2.7334  1.2508  1.0534
+ 5713TIP3    H218588   2.797   6.206   4.351  1.4071 -1.3033  1.9483
+ 5714TIP3   OH218589   1.931   2.295   3.987  0.4861 -0.3003 -0.3563
+ 5714TIP3    H118590   2.026   2.298   4.002  0.2173  0.4240  1.3684
+ 5714TIP3    H218591   1.921   2.260   3.899  2.3210 -1.8123  0.0024
+ 5715TIP3   OH218592   2.719   1.157   5.196 -0.0041 -0.3057 -0.3363
+ 5715TIP3    H118593   2.636   1.123   5.162  0.5290  0.9651 -3.0354
+ 5715TIP3    H218594   2.759   1.082   5.241 -2.0361 -1.2568 -0.0630
+ 5716TIP3   OH218595   2.942   1.987   1.996  0.1636 -0.2691 -0.6534
+ 5716TIP3    H118596   2.880   2.037   1.942 -0.1981  0.3595  0.3362
+ 5716TIP3    H218597   3.027   2.003   1.954 -0.2985 -0.9698 -1.8981
+ 5717TIP3   OH218598   3.900   0.545   5.059  0.0617  0.2537  0.0854
+ 5717TIP3    H118599   3.964   0.516   4.993 -0.0215 -0.5945  0.3702
+ 5717TIP3    H218600   3.902   0.477   5.126 -0.4329  0.7169  0.5787
+ 5718TIP3   OH218601   0.352   6.619   1.281  0.4952  0.0691 -0.0901
+ 5718TIP3    H118602   0.393   6.704   1.298 -1.4602  1.2913 -1.3705
+ 5718TIP3    H218603   0.354   6.610   1.186  1.5093 -1.7596  0.0841
+ 5719TIP3   OH218604   3.207   6.842   3.856 -0.0568 -0.4033 -0.2198
+ 5719TIP3    H118605   3.247   6.809   3.775 -2.2253  1.8994 -2.3696
+ 5719TIP3    H218606   3.267   6.910   3.886 -1.1705  1.5608 -2.2418
+ 5720TIP3   OH218607   2.435   2.375   0.361 -0.3442  0.0225  0.1477
+ 5720TIP3    H118608   2.352   2.411   0.392 -0.2668 -0.5102  0.9843
+ 5720TIP3    H218609   2.499   2.402   0.426  0.2737  1.0467 -0.8750
+ 5721TIP3   OH218610   2.849   6.117   3.012 -0.2041 -0.1248  0.2394
+ 5721TIP3    H118611   2.940   6.118   3.041  0.2349 -0.2658 -1.0618
+ 5721TIP3    H218612   2.854   6.130   2.917 -1.4660 -1.2522 -0.0056
+ 5722TIP3   OH218613   4.153   6.133   5.533 -0.1255 -0.6344 -0.0879
+ 5722TIP3    H118614   4.182   6.211   5.486  0.7340 -1.0856 -0.3187
+ 5722TIP3    H218615   4.228   6.073   5.528 -0.6825 -1.3667  0.3185
+ 5723TIP3   OH218616   2.564   0.078   5.113  0.6180  0.5238 -0.2629
+ 5723TIP3    H118617   2.613   0.043   5.039  2.3035 -2.5957  2.1695
+ 5723TIP3    H218618   2.630   0.124   5.165  0.0028  0.3706  0.6624
+ 5724TIP3   OH218619   3.200   0.731   3.394  0.1239 -0.0942 -0.0571
+ 5724TIP3    H118620   3.135   0.749   3.462  0.1036  1.5756 -0.4897
+ 5724TIP3    H218621   3.222   0.818   3.359  0.0987 -0.9226 -2.1996
+ 5725TIP3   OH218622   1.340   3.380   6.720  0.1730 -0.1378 -0.8154
+ 5725TIP3    H118623   1.333   3.298   6.672 -0.2364  0.3723 -1.6303
+ 5725TIP3    H218624   1.404   3.362   6.789 -1.7697 -1.9021  0.5775
+ 5726TIP3   OH218625   2.602   5.696   4.951 -0.1487  0.4058  0.3106
+ 5726TIP3    H118626   2.510   5.669   4.948 -0.2704  0.8070  0.4533
+ 5726TIP3    H218627   2.610   5.744   5.033  0.3175 -0.0970  0.5608
+ 5727TIP3   OH218628   4.460   5.955   1.537  0.5411  0.3787  0.2422
+ 5727TIP3    H118629   4.394   5.903   1.583  0.7322  0.0597  0.1571
+ 5727TIP3    H218630   4.496   6.012   1.604  0.6541  0.0783  0.4374
+ 5728TIP3   OH218631   0.745   6.779   5.232  0.7935  0.1329 -0.1091
+ 5728TIP3    H118632   0.672   6.771   5.170  0.3791 -1.9650  0.6200
+ 5728TIP3    H218633   0.756   6.691   5.267  1.9145  1.0247  1.8143
+ 5729TIP3   OH218634   0.444   1.600   6.037  0.1739  0.1404 -0.6897
+ 5729TIP3    H118635   0.358   1.606   5.995  0.3548  0.1146 -1.0683
+ 5729TIP3    H218636   0.437   1.653   6.117 -0.8843 -1.6461  0.4291
+ 5730TIP3   OH218637   1.587   0.111   3.751 -0.0753 -0.0673 -0.5485
+ 5730TIP3    H118638   1.515   0.136   3.693 -0.2807 -2.0601 -1.1859
+ 5730TIP3    H218639   1.586   0.176   3.821 -1.7287  0.6151 -1.2038
+ 5731TIP3   OH218640   2.903   5.537   3.873 -0.0414  0.7399  0.2448
+ 5731TIP3    H118641   2.894   5.585   3.955  0.7076  0.2548  0.6183
+ 5731TIP3    H218642   2.815   5.505   3.853 -0.3516  1.4247  0.5042
+ 5732TIP3   OH218643   1.270   4.245   4.112 -0.8632 -0.0636  0.6062
+ 5732TIP3    H118644   1.252   4.337   4.130 -1.3772  0.1295 -0.7945
+ 5732TIP3    H218645   1.295   4.208   4.196 -0.4468  1.4068  1.1424
+ 5733TIP3   OH218646   2.095   0.110   1.221 -0.1645 -0.3127 -0.0999
+ 5733TIP3    H118647   2.026   0.107   1.286  0.3478  1.3860  0.5261
+ 5733TIP3    H218648   2.176   0.117   1.271  0.3294 -0.3186 -0.8778
+ 5734TIP3   OH218649   4.131   5.890   5.174 -0.3076  0.0743 -0.1314
+ 5734TIP3    H118650   4.136   5.920   5.084 -0.5689 -1.6787 -0.7489
+ 5734TIP3    H218651   4.189   5.814   5.178 -0.4288  0.0278  1.1308
+ 5735TIP3   OH218652   2.108   2.547   5.253  0.2095 -0.0150 -0.1341
+ 5735TIP3    H118653   2.086   2.586   5.168 -0.8050 -2.0647 -0.8765
+ 5735TIP3    H218654   2.126   2.621   5.310  0.9938  1.4170 -2.1675
+ 5736TIP3   OH218655   0.853   3.224   3.382  0.3231  0.3127 -0.3154
+ 5736TIP3    H118656   0.893   3.237   3.468 -2.5289  0.7348  0.9991
+ 5736TIP3    H218657   0.859   3.309   3.340 -0.9566  0.9205  0.6819
+ 5737TIP3   OH218658   1.643   0.814   6.472 -0.1190  0.4333  0.3761
+ 5737TIP3    H118659   1.676   0.725   6.485  2.5332  1.0048 -1.9664
+ 5737TIP3    H218660   1.562   0.803   6.423  0.2875 -0.6899 -0.0684
+ 5738TIP3   OH218661   3.299   3.144   5.993 -0.6568 -0.2297 -0.0090
+ 5738TIP3    H118662   3.263   3.201   5.925 -0.0199  1.1347  0.7697
+ 5738TIP3    H218663   3.254   3.171   6.073  0.2756 -0.2345  0.5200
+ 5739TIP3   OH218664   3.159   0.303   4.646 -0.4350  0.3032  0.1124
+ 5739TIP3    H118665   3.208   0.383   4.665  0.1955  0.0139 -0.2979
+ 5739TIP3    H218666   3.121   0.278   4.730 -1.4431  1.5727  0.0531
+ 5740TIP3   OH218667   4.557   1.057   6.431  0.3897  0.3776 -0.4003
+ 5740TIP3    H118668   4.547   1.150   6.413 -1.0314  0.2248 -0.4652
+ 5740TIP3    H218669   4.577   1.018   6.346  0.0170  0.5057 -0.5501
+ 5741TIP3   OH218670   3.188   0.716   5.702 -0.3656 -0.2627  0.0675
+ 5741TIP3    H118671   3.238   0.787   5.742 -0.0182  0.4783 -1.6315
+ 5741TIP3    H218672   3.243   0.639   5.714  0.1255  0.1128  0.2747
+ 5742TIP3   OH218673   2.875   1.992   4.577  0.5586 -0.2483 -0.9028
+ 5742TIP3    H118674   2.844   1.990   4.487  1.2534 -0.6864 -1.1379
+ 5742TIP3    H218675   2.796   2.003   4.630  0.2405  1.0197 -1.6213
+ 5743TIP3   OH218676   3.228   1.884   5.980  0.2111 -0.0957 -0.2116
+ 5743TIP3    H118677   3.249   1.867   6.071  0.0955  0.9143  0.0093
+ 5743TIP3    H218678   3.139   1.851   5.969  0.0102  0.3121  0.1909
+ 5744TIP3   OH218679   1.663   0.541   5.026 -0.7024  0.0016  0.7312
+ 5744TIP3    H118680   1.665   0.632   4.999 -2.2779  0.1529  1.0780
+ 5744TIP3    H218681   1.612   0.497   4.959 -1.3830 -0.3113  1.4421
+ 5745TIP3   OH218682   1.923   4.693   5.170  0.3049  0.4783 -0.3921
+ 5745TIP3    H118683   1.965   4.773   5.201  1.0994  0.0563 -0.3811
+ 5745TIP3    H218684   1.907   4.642   5.249  0.5639  0.2567 -0.4819
+ 5746TIP3   OH218685   3.437   1.785   3.149 -0.3450 -0.0173  0.2691
+ 5746TIP3    H118686   3.361   1.755   3.198  0.6483  0.0271  1.8980
+ 5746TIP3    H218687   3.437   1.734   3.068 -1.7911 -0.3972  0.5106
+ 5747TIP3   OH218688   2.140   5.385   3.598 -0.2477 -0.2987 -1.1018
+ 5747TIP3    H118689   2.064   5.443   3.594 -0.1047 -0.1546 -1.8093
+ 5747TIP3    H218690   2.208   5.430   3.549  0.3572 -0.3474 -0.3211
+ 5748TIP3   OH218691   2.472   0.284   2.901 -0.2523  0.7158  0.4037
+ 5748TIP3    H118692   2.462   0.292   2.806 -0.6778 -0.5118  0.3310
+ 5748TIP3    H218693   2.389   0.314   2.937 -0.1514  1.0269  0.3720
+ 5749TIP3   OH218694   4.031   0.620   0.422 -0.0363  0.1190  0.4057
+ 5749TIP3    H118695   3.992   0.558   0.483  0.7515  0.5345  1.3521
+ 5749TIP3    H218696   4.030   0.704   0.469 -1.2524  0.8681 -0.9176
+ 5750TIP3   OH218697   3.850   5.746   4.108  0.4347 -0.0084 -0.0652
+ 5750TIP3    H118698   3.767   5.699   4.105  1.0281 -1.0670 -0.3582
+ 5750TIP3    H218699   3.917   5.677   4.107  1.3097  0.8139  0.6687
+ 5751TIP3   OH218700   3.269   0.541   4.708  0.1062  0.1621  0.2108
+ 5751TIP3    H118701   3.230   0.628   4.722  1.2899  0.4515  1.8066
+ 5751TIP3    H218702   3.362   0.558   4.696  0.2678 -0.8521  0.0178
+ 5752TIP3   OH218703   1.137   4.895   3.433 -0.0146  0.5216  0.2231
+ 5752TIP3    H118704   1.095   4.910   3.517 -1.8949  2.1768 -0.9833
+ 5752TIP3    H218705   1.070   4.915   3.368  1.6565  0.0763 -1.6934
+ 5753TIP3   OH218706   1.875   6.624   6.026 -0.5792  0.0682  0.2930
+ 5753TIP3    H118707   1.893   6.710   6.063  1.2637 -0.8154  1.5070
+ 5753TIP3    H218708   1.938   6.615   5.954 -0.3822 -0.5031  0.5384
+ 5754TIP3   OH218709   1.538   4.338   3.877  0.3265  0.5744 -0.0583
+ 5754TIP3    H118710   1.625   4.304   3.857 -0.8486 -1.8105 -1.3913
+ 5754TIP3    H218711   1.513   4.387   3.798 -0.6402 -1.1971 -0.9164
+ 5755TIP3   OH218712   2.017   0.372   1.148  0.1917  0.5371 -0.0610
+ 5755TIP3    H118713   2.079   0.300   1.161  1.1312  1.6587  1.9124
+ 5755TIP3    H218714   1.941   0.347   1.201  0.6327  1.1096  0.8558
+ 5756TIP3   OH218715   0.412   1.320   2.573  0.1489  0.6929 -0.0964
+ 5756TIP3    H118716   0.317   1.331   2.578 -0.3575 -3.6383  1.5245
+ 5756TIP3    H218717   0.446   1.377   2.642 -1.5264 -0.3066  1.5874
+ 5757TIP3   OH218718   1.157   0.829   2.761 -0.0283  0.6346  0.4069
+ 5757TIP3    H118719   1.149   0.896   2.829  1.3000  1.1162  0.0927
+ 5757TIP3    H218720   1.092   0.854   2.695  0.4098  1.5704  0.3236
+ 5758TIP3   OH218721   0.527   5.640   3.403 -0.6801  0.1337 -0.1317
+ 5758TIP3    H118722   0.442   5.615   3.439  0.3108 -0.4836  1.9144
+ 5758TIP3    H218723   0.518   5.732   3.379 -1.3157  0.6886  2.1048
+ 5759TIP3   OH218724   2.179   0.641   4.286 -0.0999 -0.2861 -0.5672
+ 5759TIP3    H118725   2.244   0.592   4.337 -1.2841 -1.6985 -0.3713
+ 5759TIP3    H218726   2.227   0.716   4.251  0.8146  0.6273  2.4766
+ 5760TIP3   OH218727   2.728   0.833   1.786  0.0206  0.4043  0.5759
+ 5760TIP3    H118728   2.639   0.804   1.767 -0.2697  2.1446 -0.8190
+ 5760TIP3    H218729   2.772   0.755   1.819 -1.5299 -0.9070 -0.3846
+ 5761TIP3   OH218730   6.609   0.759   2.899 -0.0877  0.1236 -0.0010
+ 5761TIP3    H118731   6.604   0.803   2.814  2.7892 -0.0693 -0.3152
+ 5761TIP3    H218732   6.656   0.821   2.955 -0.3669 -0.5093  0.9483
+ 5762TIP3   OH218733   1.498   0.983   5.095  0.1247 -0.2446 -0.0754
+ 5762TIP3    H118734   1.430   1.050   5.101 -0.0790 -0.6320  3.1313
+ 5762TIP3    H218735   1.565   1.011   5.158  1.0401 -1.9414 -0.2619
+ 5763TIP3   OH218736   3.393   2.272   5.064 -0.4286 -0.9123  0.0684
+ 5763TIP3    H118737   3.413   2.233   5.149  0.0275 -2.6667 -0.8232
+ 5763TIP3    H218738   3.473   2.316   5.038 -0.9170  0.5912  1.0393
+ 5764TIP3   OH218739   3.124   0.829   4.462 -0.6699 -0.2216  0.1092
+ 5764TIP3    H118740   3.154   0.795   4.377 -0.8585  1.3003 -0.5936
+ 5764TIP3    H218741   3.032   0.852   4.447 -0.3839  1.1472  0.3791
+ 5765TIP3   OH218742   6.441   3.599   5.021 -0.5792 -0.2724 -0.6248
+ 5765TIP3    H118743   6.498   3.666   5.059  0.0433 -1.6614  0.9633
+ 5765TIP3    H218744   6.455   3.521   5.076 -3.4354 -0.8827 -0.6534
+ 5766TIP3   OH218745   4.868   5.805   3.207 -0.3281 -0.7917 -0.5123
+ 5766TIP3    H118746   4.875   5.742   3.135 -0.2110 -2.4070  0.8805
+ 5766TIP3    H218747   4.913   5.883   3.175 -1.6544 -0.9038 -2.8024
+ 5767TIP3   OH218748   3.389   0.971   4.821 -0.2286 -0.2072 -0.3981
+ 5767TIP3    H118749   3.346   1.011   4.896 -0.4856 -0.7446 -0.2590
+ 5767TIP3    H218750   3.323   0.913   4.783  0.7171 -1.8801  0.4615
+ 5768TIP3   OH218751   4.538   0.506   3.858 -0.1096 -0.3281  0.6226
+ 5768TIP3    H118752   4.585   0.496   3.775  1.0235 -1.0653  1.3374
+ 5768TIP3    H218753   4.455   0.548   3.834  0.5878  0.2892 -0.7599
+ 5769TIP3   OH218754   3.887   1.147   6.630 -0.7386  0.1297  0.2431
+ 5769TIP3    H118755   3.915   1.141   6.539  0.1698 -2.1123  0.6228
+ 5769TIP3    H218756   3.792   1.134   6.627 -0.6669 -0.2883 -0.3623
+ 5770TIP3   OH218757   2.444   6.730   4.273  0.0911 -1.0475  0.0132
+ 5770TIP3    H118758   2.367   6.773   4.236  0.2049 -0.1939  0.7569
+ 5770TIP3    H218759   2.439   6.640   4.240 -2.6162 -1.7404  2.0889
+ 5771TIP3   OH218760   3.656   1.400   5.498 -0.0649  0.3794  0.2246
+ 5771TIP3    H118761   3.613   1.362   5.575 -3.1253 -0.9737 -2.0677
+ 5771TIP3    H218762   3.584   1.432   5.444  2.1337  2.9441 -1.3005
+ 5772TIP3   OH218763   6.840   6.643   5.334 -0.9369 -0.0544  0.1945
+ 5772TIP3    H118764   6.911   6.689   5.379 -0.1526 -0.8032 -0.2716
+ 5772TIP3    H218765   6.774   6.627   5.403 -0.7024  0.7119  0.6053
+ 5773TIP3   OH218766   3.481   0.076   0.274 -0.6736  0.3135  0.4320
+ 5773TIP3    H118767   3.539   0.060   0.199  0.6949  1.7948  1.1270
+ 5773TIP3    H218768   3.503   0.008   0.337 -0.1163  0.4920  0.4350
+ 5774TIP3   OH218769   1.829   5.497   5.083 -0.4193  0.0878  0.0076
+ 5774TIP3    H118770   1.818   5.443   5.005 -0.0369 -0.8144  0.5616
+ 5774TIP3    H218771   1.748   5.484   5.133 -0.8771  1.0647 -0.4787
+ 5775TIP3   OH218772   5.431   6.209   3.803  0.4722  0.5653 -0.0074
+ 5775TIP3    H118773   5.437   6.125   3.848 -2.0146  0.3507  0.0165
+ 5775TIP3    H218774   5.471   6.193   3.717 -1.3108 -1.1170 -0.5796
+ 5776TIP3   OH218775   3.244   1.549   4.613  0.1761  0.0445 -0.1474
+ 5776TIP3    H118776   3.174   1.615   4.611  1.3774  1.3704  0.9360
+ 5776TIP3    H218777   3.268   1.537   4.522 -1.9292 -0.9529 -0.6200
+ 5777TIP3   OH218778   2.107   6.504   4.812 -0.6778 -0.1262  0.2028
+ 5777TIP3    H118779   2.139   6.530   4.899  1.4698 -2.0974  0.0387
+ 5777TIP3    H218780   2.120   6.582   4.758  1.2681 -0.0070  0.8252
+ 5778TIP3   OH218781   4.822   0.097   3.240 -0.0417  0.0896 -0.0963
+ 5778TIP3    H118782   4.910   0.060   3.236 -0.1743 -0.2500  0.1122
+ 5778TIP3    H218783   4.794   0.102   3.149 -0.1339 -0.5884 -0.1016
+ 5779TIP3   OH218784   4.158   0.651   0.971 -0.0813  0.2075 -0.1788
+ 5779TIP3    H118785   4.164   0.561   0.940 -0.8085  0.3234 -0.6707
+ 5779TIP3    H218786   4.065   0.672   0.966 -0.3129  0.0254  2.6945
+ 5780TIP3   OH218787   3.033   6.016   3.284 -0.1667 -0.0137  0.2021
+ 5780TIP3    H118788   3.007   6.078   3.352  0.1031  1.0548 -0.6797
+ 5780TIP3    H218789   3.000   5.931   3.316  0.7717  0.3172  2.1305
+ 5781TIP3   OH218790   3.726   2.165   4.538  0.3029  0.5444  0.6050
+ 5781TIP3    H118791   3.633   2.149   4.520 -0.2002  1.5702  2.2063
+ 5781TIP3    H218792   3.768   2.157   4.452 -1.7084  3.0238 -0.7096
+ 5782TIP3   OH218793   2.440   0.543   4.876 -0.1629 -0.0597  0.2439
+ 5782TIP3    H118794   2.349   0.572   4.875 -0.7258 -1.8042 -1.6104
+ 5782TIP3    H218795   2.463   0.531   4.784  1.0967 -2.1385  0.7825
+ 5783TIP3   OH218796   3.863   5.727   5.064  0.3388  0.1088  0.1546
+ 5783TIP3    H118797   3.836   5.713   5.155  0.9174 -2.4067 -0.0280
+ 5783TIP3    H218798   3.941   5.783   5.070 -0.7478  1.5529  1.0715
+ 5784TIP3   OH218799   4.054   1.946   4.262 -0.4239  0.3073 -0.0415
+ 5784TIP3    H118800   4.039   1.884   4.333 -0.5432  0.9394  0.4911
+ 5784TIP3    H218801   4.149   1.957   4.260 -0.4683  0.7646  0.4263
+ 5785TIP3   OH218802   5.869   3.990   4.030  0.1614  0.3206 -0.5171
+ 5785TIP3    H118803   5.899   3.907   4.066  2.1039  1.9941  1.9003
+ 5785TIP3    H218804   5.776   3.975   4.009 -0.2623 -1.6371  2.4361
+ 5786TIP3   OH218805   3.667   1.489   3.202  0.1513 -0.3347 -0.4408
+ 5786TIP3    H118806   3.574   1.481   3.181  0.0069 -1.1285  0.4539
+ 5786TIP3    H218807   3.703   1.542   3.132 -1.2649  1.1940 -0.0558
+ 5787TIP3   OH218808   3.353   0.095   4.882 -0.2621  0.4595  0.3081
+ 5787TIP3    H118809   3.393   0.175   4.850  0.4102 -0.5091 -1.3381
+ 5787TIP3    H218810   3.402   0.073   4.961  0.5397  0.8587 -0.0792
+ 5788TIP3   OH218811   2.512   0.734   5.059  0.2659 -0.2632  0.1495
+ 5788TIP3    H118812   2.496   0.694   4.974  0.2968  1.9847 -0.9593
+ 5788TIP3    H218813   2.457   0.685   5.120 -0.7968 -1.0279 -1.4058
+ 5789TIP3   OH218814   2.165   6.705   2.731 -0.4282  0.3723  0.4161
+ 5789TIP3    H118815   2.129   6.649   2.799 -1.7261 -1.4052 -1.6634
+ 5789TIP3    H218816   2.089   6.746   2.691  0.3098  1.2670 -0.0923
+ 5790TIP3   OH218817   5.127   0.707   3.300 -0.8085 -0.2428 -0.6186
+ 5790TIP3    H118818   5.179   0.737   3.225 -1.3066 -0.1674 -0.9351
+ 5790TIP3    H218819   5.036   0.726   3.275 -0.9716 -0.1958  0.0159
+ 5791TIP3   OH218820   4.098   0.961   6.034  0.3825  0.0454 -0.1397
+ 5791TIP3    H118821   4.008   0.983   6.057  0.1809 -0.7784 -0.1166
+ 5791TIP3    H218822   4.094   0.936   5.942  1.0693  2.6709 -0.9246
+ 5792TIP3   OH218823   6.021   2.709   4.518  0.0132 -0.2672  0.3503
+ 5792TIP3    H118824   6.016   2.614   4.529  1.9305 -0.2712  1.5279
+ 5792TIP3    H218825   6.040   2.721   4.425 -1.5647 -0.9749 -0.0647
+ 5793TIP3   OH218826   3.807   1.856   3.759 -0.0041  0.0996  0.0821
+ 5793TIP3    H118827   3.851   1.925   3.810  1.1970 -0.6682  0.0989
+ 5793TIP3    H218828   3.841   1.774   3.795 -4.5044 -0.7202  2.9599
+ 5794TIP3   OH218829   4.082   0.767   4.082  0.3554  0.2534 -0.3402
+ 5794TIP3    H118830   4.004   0.719   4.056 -0.9280  2.2092 -0.1222
+ 5794TIP3    H218831   4.055   0.821   4.155  1.6607  1.6807 -0.8724
+ 5795TIP3   OH218832   1.343   2.429   4.326  0.4352 -0.0995 -0.4439
+ 5795TIP3    H118833   1.296   2.352   4.295  0.4154 -0.4033  0.3291
+ 5795TIP3    H218834   1.277   2.480   4.373  0.1865  0.9335 -1.8748
+ 5796TIP3   OH218835   6.070   0.628   4.798  0.4065  0.0309 -0.1595
+ 5796TIP3    H118836   6.162   0.652   4.811  0.4011  0.1365 -0.3232
+ 5796TIP3    H218837   6.062   0.542   4.840  0.9977 -0.7725 -1.6359
+ 5797TIP3   OH218838   5.031   1.633   5.493  0.2625  0.7198  0.3693
+ 5797TIP3    H118839   5.116   1.676   5.481  0.1533  1.1611  1.1333
+ 5797TIP3    H218840   5.039   1.590   5.579  0.9167 -2.0587 -1.0374
+ 5798TIP3   OH218841   5.491   1.815   5.530 -0.1613  0.8316 -0.5635
+ 5798TIP3    H118842   5.441   1.821   5.448 -0.0182 -1.3380 -0.8518
+ 5798TIP3    H218843   5.540   1.896   5.534 -0.3188  1.0607 -2.5472
+ 5799TIP3   OH218844   3.049   1.718   5.098  0.5934 -0.3003  0.4158
+ 5799TIP3    H118845   3.091   1.767   5.028  1.1871  0.2939  1.1852
+ 5799TIP3    H218846   2.956   1.739   5.089  0.6425 -0.3791 -0.3055
+ 5800TIP3   OH218847   2.597   0.877   6.561  0.1760  0.4316 -0.9292
+ 5800TIP3    H118848   2.678   0.878   6.510  0.2916  0.2877 -0.7491
+ 5800TIP3    H218849   2.610   0.944   6.628  0.4773 -0.1601 -0.3893
+ 5801TIP3   OH218850   4.686   3.982   5.947 -0.1162 -0.3700  0.2632
+ 5801TIP3    H118851   4.661   3.929   6.023  0.7540  1.7202  2.0675
+ 5801TIP3    H218852   4.619   4.051   5.942  0.2868 -0.0163 -0.3746
+ 5802TIP3   OH218853   6.084  -0.000   6.174 -0.2418 -0.0719 -0.2591
+ 5802TIP3    H118854   6.144   0.067   6.207 -1.0494  0.3875  0.2713
+ 5802TIP3    H218855   6.017  -0.009   6.242 -0.1565 -1.4000 -0.3237
+ 5803TIP3   OH218856   5.804   0.466   5.245 -0.3870  0.4645 -0.2840
+ 5803TIP3    H118857   5.886   0.502   5.280 -1.9949  1.8227  2.1636
+ 5803TIP3    H218858   5.778   0.399   5.307 -2.5439  1.9265  0.4279
+ 5804TIP3   OH218859   5.237   5.358   5.805 -0.3999  0.0368 -0.1240
+ 5804TIP3    H118860   5.178   5.427   5.835 -0.1774  0.7546 -1.2747
+ 5804TIP3    H218861   5.223   5.354   5.711  1.3943  0.2651 -0.4318
+ 5805TIP3   OH218862   5.190   1.520   0.591 -0.4715  0.5746 -0.6200
+ 5805TIP3    H118863   5.277   1.499   0.557  0.2948  1.1762  0.9211
+ 5805TIP3    H218864   5.183   1.468   0.672 -0.8413  1.8091  0.1602
+ 5806TIP3   OH218865   2.786   1.326   3.241  0.2881  0.0755  0.4842
+ 5806TIP3    H118866   2.756   1.417   3.235 -1.2558 -0.6026 -2.6591
+ 5806TIP3    H218867   2.708   1.276   3.263  0.8911 -0.6446  0.9934
+ 5807TIP3   OH218868   2.682   1.290   4.135  0.3092 -0.5898  0.3974
+ 5807TIP3    H118869   2.649   1.379   4.124 -0.0882 -0.5555  1.7362
+ 5807TIP3    H218870   2.645   1.241   4.062  0.3283  0.2871 -0.2052
+ 5808TIP3   OH218871   3.859   1.416   3.380  0.0154 -0.0758  0.0382
+ 5808TIP3    H118872   3.929   1.388   3.322  0.5467 -0.0812  0.6780
+ 5808TIP3    H218873   3.785   1.434   3.322  1.4322  2.8018 -0.9403
+ 5809TIP3   OH218874   3.503   2.562   5.805 -0.2763 -0.6753  0.6814
+ 5809TIP3    H118875   3.501   2.536   5.897 -1.8144 -0.7808  0.6466
+ 5809TIP3    H218876   3.430   2.513   5.765  0.2521 -0.4949 -0.5499
+ 5810TIP3   OH218877   3.643   1.097   4.811 -0.3975 -0.7305 -0.8363
+ 5810TIP3    H118878   3.563   1.045   4.810 -2.0774  1.7381  0.5167
+ 5810TIP3    H218879   3.658   1.119   4.719 -0.8518 -1.8029 -1.1800
+ 5811TIP3   OH218880   6.028   0.336   4.866  0.1317 -0.3760  0.3225
+ 5811TIP3    H118881   5.950   0.313   4.916  0.1291 -0.9304  0.0685
+ 5811TIP3    H218882   6.074   0.253   4.855  1.8915  0.2811  2.4103
+ 5812TIP3   OH218883   2.337   2.845   6.295  0.6365  0.3439 -0.0648
+ 5812TIP3    H118884   2.279   2.922   6.294 -0.9649 -0.8302 -0.5620
+ 5812TIP3    H218885   2.280   2.773   6.324  2.4115 -0.4429  1.5770
+ 5813TIP3   OH218886   5.881   1.961   1.683  0.4150 -0.5906 -0.0521
+ 5813TIP3    H118887   5.796   1.966   1.640  1.2425  0.4575 -1.6286
+ 5813TIP3    H218888   5.943   1.941   1.612  1.5778 -0.6004  0.9475
+ 5814TIP3   OH218889   3.132   0.596   6.004  0.0474 -0.1681  0.1606
+ 5814TIP3    H118890   3.042   0.601   5.971  0.1946 -3.2088 -0.9075
+ 5814TIP3    H218891   3.127   0.534   6.077  0.7339  2.2284  2.3429
+ 5815TIP3   OH218892   4.899   2.506   6.364  0.4435  0.3233 -0.1270
+ 5815TIP3    H118893   4.983   2.488   6.322  0.4372 -0.0876  0.0281
+ 5815TIP3    H218894   4.856   2.570   6.307 -0.4443 -1.7557 -1.8813
+ 5816TIP3   OH218895   5.605   2.207   2.172 -0.2065 -0.4776 -0.2798
+ 5816TIP3    H118896   5.641   2.264   2.104 -1.4559  0.8949  0.1882
+ 5816TIP3    H218897   5.544   2.149   2.126  1.8890 -2.2636 -0.9423
+ 5817TIP3   OH218898   5.171   0.263   5.466  0.1008 -0.0352 -0.4252
+ 5817TIP3    H118899   5.194   0.221   5.548  0.7283 -1.0763 -1.1264
+ 5817TIP3    H218900   5.188   0.197   5.399 -0.2452  0.8558 -1.4110
+ 5818TIP3   OH218901   3.481   1.645   2.889  0.6604  0.0783 -0.4319
+ 5818TIP3    H118902   3.391   1.630   2.861  0.0741  0.6269  1.1385
+ 5818TIP3    H218903   3.534   1.607   2.819 -0.7807 -0.2705 -1.3568
+ 5819TIP3   OH218904   1.471   0.400   5.139 -0.0352  0.6472 -0.3679
+ 5819TIP3    H118905   1.511   0.474   5.094  0.0047  1.8864  1.6792
+ 5819TIP3    H218906   1.380   0.425   5.151 -0.6222 -0.6777 -1.8250
+ 5820TIP3   OH218907   4.118   3.597   0.150 -0.2368  0.0355 -0.4240
+ 5820TIP3    H118908   4.151   3.627   0.065  0.2910  0.0544 -0.2140
+ 5820TIP3    H218909   4.150   3.507   0.157  0.3819  0.2915  0.0946
+ 5821TIP3   OH218910   4.226   4.980   5.504  0.1257 -0.2812 -0.1978
+ 5821TIP3    H118911   4.307   4.933   5.486 -0.0138 -0.9514  0.8740
+ 5821TIP3    H218912   4.199   4.948   5.590 -0.7450  0.6775 -0.1103
+ 5822TIP3   OH218913   6.659   2.749   4.629  0.5183 -0.2441 -0.5162
+ 5822TIP3    H118914   6.709   2.667   4.618  0.9307 -0.1405  0.5715
+ 5822TIP3    H218915   6.569   2.725   4.609  0.9424 -0.5120 -2.1880
+ 5823TIP3   OH218916   0.366   0.204   3.990 -0.0668  0.2231 -0.0098
+ 5823TIP3    H118917   0.359   0.174   4.080 -1.8774  1.3039  0.2437
+ 5823TIP3    H218918   0.457   0.231   3.980  0.6986 -1.9379  0.8198
+ 5824TIP3   OH218919   3.851   2.392   6.299  0.2897 -0.1467 -0.3983
+ 5824TIP3    H118920   3.817   2.413   6.387  1.3757  0.1291 -0.0384
+ 5824TIP3    H218921   3.825   2.301   6.284  0.4018 -0.3042  0.3537
+ 5825TIP3   OH218922   3.289   1.000   3.416  0.0147  0.2085  0.0183
+ 5825TIP3    H118923   3.311   1.054   3.492 -1.8645  0.5200  0.3701
+ 5825TIP3    H218924   3.357   1.020   3.352  1.8057 -0.2779  1.7043
+ 5826TIP3   OH218925   3.896   4.741   4.552  0.0066  0.3904  0.3622
+ 5826TIP3    H118926   3.933   4.829   4.551 -2.4011  1.5043 -3.2463
+ 5826TIP3    H218927   3.848   4.736   4.635  1.6109  1.8281  1.3897
+ 5827TIP3   OH218928   4.744   1.065   5.934 -0.6324 -0.4379  0.7216
+ 5827TIP3    H118929   4.813   1.117   5.974  0.6389 -0.3945 -1.4698
+ 5827TIP3    H218930   4.727   1.108   5.850  0.4610 -3.4866 -1.1527
+ 5828TIP3   OH218931   1.934   6.642   4.139  0.3712  0.9820 -0.2027
+ 5828TIP3    H118932   1.905   6.551   4.137  2.3605  0.1849  3.0322
+ 5828TIP3    H218933   1.855   6.693   4.124 -1.3670 -1.2336  1.1020
+ 5829TIP3   OH218934   3.386   2.696   5.219 -0.6637 -0.1572 -0.3353
+ 5829TIP3    H118935   3.340   2.612   5.210  0.4150 -0.8791  0.7184
+ 5829TIP3    H218936   3.325   2.761   5.185 -2.5519 -1.0799  1.2262
+ 5830TIP3   OH218937   1.831   0.429   3.364 -0.0322  0.5908 -0.0473
+ 5830TIP3    H118938   1.820   0.345   3.319 -1.6798  0.0038  1.4278
+ 5830TIP3    H218939   1.918   0.423   3.403 -0.4098 -0.7151  0.6304
+ 5831TIP3   OH218940   1.538   6.320   3.189  1.2563  0.3333 -0.3309
+ 5831TIP3    H118941   1.501   6.380   3.124 -1.5444  0.0360  0.9570
+ 5831TIP3    H218942   1.538   6.369   3.271 -0.1518 -1.0528  0.5304
+ 5832TIP3   OH218943   3.058   6.333   2.968 -0.0573  0.3791  0.2158
+ 5832TIP3    H118944   2.970   6.371   2.962 -0.6308 -1.1041 -1.0399
+ 5832TIP3    H218945   3.084   6.319   2.877  1.5872  1.0348  0.5813
+ 5833TIP3   OH218946   4.950   1.458   5.261 -0.1945 -0.4280 -0.4320
+ 5833TIP3    H118947   5.029   1.447   5.208  0.2572  0.0041  0.1460
+ 5833TIP3    H218948   4.970   1.532   5.319 -0.7748 -0.7408  0.1711
+ 5834TIP3   OH218949   5.169   0.840   4.237 -0.1223 -0.4281 -0.1114
+ 5834TIP3    H118950   5.083   0.845   4.280 -0.4903 -3.2642 -0.3972
+ 5834TIP3    H218951   5.231   0.864   4.306 -1.1402  2.6016 -0.1511
+ 5835TIP3   OH218952   1.772   6.738   5.084 -0.1749 -0.1904  0.0715
+ 5835TIP3    H118953   1.711   6.797   5.040 -0.8391 -0.5815  0.4669
+ 5835TIP3    H218954   1.829   6.796   5.135 -1.5642  0.0234  1.3851
+ 5836TIP3   OH218955   3.362   0.552   5.887  0.0632  0.5858 -0.1667
+ 5836TIP3    H118956   3.288   0.586   5.938  0.6933 -0.6000  1.5997
+ 5836TIP3    H218957   3.436   0.552   5.948  1.4224  1.2571 -1.7544
+ 5837TIP3   OH218958   1.989   0.888   3.389 -0.3514  0.1891 -0.0964
+ 5837TIP3    H118959   1.954   0.976   3.373 -1.2755 -0.1513 -0.0078
+ 5837TIP3    H218960   1.936   0.854   3.461 -2.1960 -1.6641 -2.2358
+ 5838TIP3   OH218961   4.445   0.981   4.137 -0.1629 -0.3546  0.4515
+ 5838TIP3    H118962   4.439   0.886   4.129  1.6841 -0.4421 -0.0756
+ 5838TIP3    H218963   4.468   0.996   4.228 -1.6621 -0.3386  0.8396
+ 5839TIP3   OH218964   4.968   1.490   2.881  0.5512 -0.4692 -0.0793
+ 5839TIP3    H118965   5.052   1.452   2.853 -0.7789 -2.5469 -1.3266
+ 5839TIP3    H218966   4.992   1.577   2.915  3.1099 -0.6959 -1.1549
+ 5840TIP3   OH218967   4.379   6.696   6.280 -0.3210  0.3584 -0.0022
+ 5840TIP3    H118968   4.355   6.606   6.303  0.5735 -0.1959 -1.1651
+ 5840TIP3    H218969   4.306   6.749   6.312 -1.8085 -0.9977 -1.0511
+ 5841TIP3   OH218970   5.337   2.607   5.305  0.4258 -0.3964 -0.4910
+ 5841TIP3    H118971   5.431   2.596   5.323  1.1034  1.7468 -2.4286
+ 5841TIP3    H218972   5.319   2.544   5.235  0.2589 -1.2170  0.2758
+ 5842TIP3   OH218973   2.586   0.244   1.766 -0.1772 -0.0943 -0.1402
+ 5842TIP3    H118974   2.578   0.180   1.695 -0.3836  0.5137 -0.6696
+ 5842TIP3    H218975   2.664   0.295   1.744  1.2465 -1.5411  1.4118
+ 5843TIP3   OH218976   2.846   1.833   5.360  0.9393  0.2428  0.4050
+ 5843TIP3    H118977   2.788   1.776   5.309  0.6138 -0.0627  1.1094
+ 5843TIP3    H218978   2.918   1.776   5.387  1.4960  0.5826 -0.3273
+ 5844TIP3   OH218979   1.145   0.493   3.824 -0.5343 -0.1830 -0.0657
+ 5844TIP3    H118980   1.081   0.553   3.784 -0.3647 -0.7548 -1.2336
+ 5844TIP3    H218981   1.093   0.417   3.851 -0.4923 -0.2508 -0.1732
+ 5845TIP3   OH218982   3.519   1.314   2.859 -0.2993 -0.4927 -0.2090
+ 5845TIP3    H118983   3.606   1.310   2.819 -0.1330  1.4846 -0.0589
+ 5845TIP3    H218984   3.536   1.339   2.950 -0.9871 -0.8385  0.0193
+ 5846TIP3   OH218985   3.009   5.509   4.223  0.7968  0.3268 -0.2814
+ 5846TIP3    H118986   3.061   5.588   4.235 -0.8797  1.3208  0.7050
+ 5846TIP3    H218987   2.933   5.537   4.173  0.1202 -0.6135  0.1918
+ 5847TIP3   OH218988   2.461   1.013   6.115  0.1081  0.1431  0.1479
+ 5847TIP3    H118989   2.484   1.100   6.146 -0.1215 -0.1805  1.2604
+ 5847TIP3    H218990   2.418   0.971   6.190  1.6616 -1.4911  0.1528
+ 5848TIP3   OH218991   4.676   6.356   2.506  0.7518  0.0710  0.4271
+ 5848TIP3    H118992   4.630   6.436   2.482  0.4033  0.0164  0.8922
+ 5848TIP3    H218993   4.768   6.375   2.489  0.6107  0.3619 -0.0244
+ 5849TIP3   OH218994   4.144   0.243   6.192 -0.1567 -0.2391 -0.2605
+ 5849TIP3    H118995   4.124   0.290   6.111  0.8040  3.5528  1.5478
+ 5849TIP3    H218996   4.063   0.248   6.243  0.2507  0.3238  0.3360
+ 5850TIP3   OH218997   6.110   2.024   2.987  1.2065 -0.1452 -0.3284
+ 5850TIP3    H118998   6.128   1.930   2.995  2.6651  0.1673  0.1880
+ 5850TIP3    H218999   6.165   2.064   3.054  0.5051  1.0666 -0.4855
+ 5851TIP3   OH219000   1.755   0.822   2.701 -0.0029  0.0312 -0.4611
+ 5851TIP3    H119001   1.818   0.833   2.772  0.4242  3.3258 -1.2904
+ 5851TIP3    H219002   1.669   0.828   2.744  0.2351 -0.5497  0.1073
+ 5852TIP3   OH219003   3.927   0.948   3.797 -0.7604 -0.2154  0.2644
+ 5852TIP3    H119004   4.020   0.929   3.792 -0.8526 -0.6216  0.0861
+ 5852TIP3    H219005   3.887   0.866   3.826 -1.1169 -0.1970 -0.1621
+ 5853TIP3   OH219006   4.720   1.086   3.561  0.2514  0.2927 -0.1660
+ 5853TIP3    H119007   4.802   1.135   3.572 -1.3010  2.7069  0.8935
+ 5853TIP3    H219008   4.683   1.119   3.479 -0.3954  0.2783  0.1195
+ 5854TIP3   OH219009   6.175   0.269   5.593 -0.4847 -0.3358 -0.0885
+ 5854TIP3    H119010   6.246   0.239   5.651 -0.7014 -1.9055 -0.6091
+ 5854TIP3    H219011   6.167   0.362   5.612  1.9723 -0.0406 -0.2730
+ 5855TIP3   OH219012   3.341   1.262   4.955 -0.3250  0.2024  0.4202
+ 5855TIP3    H119013   3.309   1.185   5.001  0.4226 -0.9327 -0.9054
+ 5855TIP3    H219014   3.293   1.262   4.872  1.0729  0.0391 -0.4146
+ 5856TIP3   OH219015   5.251   6.615   4.745 -0.3651 -0.0916  0.1048
+ 5856TIP3    H119016   5.230   6.709   4.748 -1.5510 -0.2908 -1.1407
+ 5856TIP3    H219017   5.302   6.604   4.665  0.2085 -0.4339  0.5140
+ 5857TIP3   OH219018   4.232   2.415   5.449  0.0607 -0.1162  0.1090
+ 5857TIP3    H119019   4.324   2.442   5.447  0.1765 -0.5321 -0.8647
+ 5857TIP3    H219020   4.220   2.375   5.535  0.2989  1.5939  0.9572
+ 5858TIP3   OH219021   3.345   1.683   4.848 -0.0039  0.6114 -0.4225
+ 5858TIP3    H119022   3.420   1.711   4.795 -0.0392  0.9160 -0.3111
+ 5858TIP3    H219023   3.293   1.629   4.789  1.0152 -0.7454 -0.1017
+ 5859TIP3   OH219024   3.646   1.535   2.649 -0.1236 -0.0338  0.0453
+ 5859TIP3    H119025   3.740   1.533   2.634 -0.2546  1.1720 -1.1412
+ 5859TIP3    H219026   3.610   1.474   2.584 -0.0772 -1.5125  1.3875
+ 5860TIP3   OH219027   3.818   0.654   3.995 -0.2647  0.1654  0.1494
+ 5860TIP3    H119028   3.818   0.593   3.921 -2.0122 -0.9877  1.0698
+ 5860TIP3    H219029   3.754   0.721   3.971  0.4873  0.7814 -0.1599
+ 5861TIP3   OH219030   3.930   4.229   0.191  0.2808 -0.2629  0.3120
+ 5861TIP3    H119031   3.980   4.156   0.154  0.4079 -0.5939  1.1315
+ 5861TIP3    H219032   3.850   4.189   0.224  0.5671 -0.1087  1.1991
+ 5862TIP3   OH219033   4.111   2.083   4.735  0.4853 -0.2266 -0.4540
+ 5862TIP3    H119034   4.054   2.016   4.772 -0.9147  1.2839  0.1684
+ 5862TIP3    H219035   4.166   2.111   4.808  0.8038 -0.4114 -0.6206
+ 5863TIP3   OH219036   3.764   1.239   5.863  0.2115 -0.5805 -0.0965
+ 5863TIP3    H119037   3.830   1.205   5.802 -0.2450 -0.0955 -0.8779
+ 5863TIP3    H219038   3.814   1.286   5.929  0.6294  0.3240 -1.0303
+ 5864TIP3   OH219039   5.173   0.231   3.197  0.0495  0.3908 -0.2634
+ 5864TIP3    H119040   5.155   0.319   3.230 -2.3197  0.2519 -1.1035
+ 5864TIP3    H219041   5.168   0.240   3.102 -2.9197 -1.1496 -0.3066
+ 5865TIP3   OH219042   5.695   0.805   4.367 -0.2263  0.2690 -0.1745
+ 5865TIP3    H119043   5.754   0.755   4.423 -0.3623  0.3243  0.0190
+ 5865TIP3    H219044   5.607   0.772   4.389 -0.0474 -1.9898 -2.6453
+ 5866TIP3   OH219045   5.650   3.264   4.704 -0.0747  0.1736  0.0096
+ 5866TIP3    H119046   5.612   3.313   4.777 -0.7051  0.6054 -0.6147
+ 5866TIP3    H219047   5.720   3.213   4.745 -1.9995 -1.4659  1.3683
+ 5867TIP3   OH219048   4.298   0.461   4.195 -0.5521  0.1653  0.1655
+ 5867TIP3    H119049   4.378   0.409   4.184  0.4939  1.6156  0.7950
+ 5867TIP3    H219050   4.230   0.396   4.214  0.3836 -1.1220 -0.7580
+ 5868TIP3   OH219051   5.137   1.977   4.563  0.3153 -1.0570  0.0140
+ 5868TIP3    H119052   5.223   1.960   4.602  0.2621 -2.7270 -0.5842
+ 5868TIP3    H219053   5.142   2.068   4.533  1.2559 -0.5861  1.5592
+ 5869TIP3   OH219054   3.755   1.868   0.130 -0.7408  0.0775  0.1559
+ 5869TIP3    H119055   3.675   1.891   0.178 -1.9349  0.6064 -2.0087
+ 5869TIP3    H219056   3.780   1.949   0.085  0.6992 -0.2485  0.3453
+ 5870TIP3   OH219057   5.076   0.765   3.998  0.5815  0.5212  0.1128
+ 5870TIP3    H119058   5.096   0.810   3.916 -0.8740 -1.1641 -1.1940
+ 5870TIP3    H219059   5.133   0.807   4.062  0.0998  3.4352 -1.2853
+ 5871TIP3   OH219060   3.980   1.320   6.080 -0.1782  0.1205  0.2238
+ 5871TIP3    H119061   3.990   1.397   6.136  1.0686  0.4377 -0.4064
+ 5871TIP3    H219062   3.976   1.246   6.141  0.0382  0.5630  0.7807
+ 5872TIP3   OH219063   2.327   0.256   1.390 -0.1076 -0.5597 -0.0525
+ 5872TIP3    H119064   2.325   0.314   1.466  2.3812 -0.9229  0.3462
+ 5872TIP3    H219065   2.352   0.313   1.317 -0.7012 -0.5635 -0.2654
+ 5873TIP3   OH219066   3.321   6.813   4.448 -0.6229  0.2565  0.7183
+ 5873TIP3    H119067   3.375   6.861   4.385  1.1397 -1.3607  0.9307
+ 5873TIP3    H219068   3.382   6.790   4.519 -1.7403 -1.1059  1.2547
+ 5874TIP3   OH219069   1.919   0.183   4.334 -0.1821 -1.4038 -0.2276
+ 5874TIP3    H119070   1.951   0.271   4.312 -0.3614 -0.7478  1.9980
+ 5874TIP3    H219071   1.998   0.133   4.356  0.0573 -2.2417 -2.8816
+ 5875TIP3   OH219072   4.301   2.055   4.527 -0.1127 -0.1240  0.4104
+ 5875TIP3    H119073   4.230   2.063   4.590  0.5979 -2.9782  1.6565
+ 5875TIP3    H219074   4.369   2.115   4.560 -1.4528  1.7419 -0.1614
+ 5876TIP3   OH219075   4.269   1.203   4.021  0.1600 -0.0400 -0.3661
+ 5876TIP3    H119076   4.322   1.189   4.100  0.0021 -0.1244 -0.2747
+ 5876TIP3    H219077   4.244   1.115   3.994  1.3748 -0.1167 -1.3047
+ 5877TIP3   OH219078   3.881   6.766   4.132  0.0333 -1.0917  0.7212
+ 5877TIP3    H119079   3.837   6.740   4.051 -0.3731  0.3654  0.4743
+ 5877TIP3    H219080   3.942   6.835   4.106 -0.4465 -0.2742  1.7328
+ 5878TIP3   OH219081   2.620   0.430   4.638 -0.2126 -0.1055 -0.7084
+ 5878TIP3    H119082   2.627   0.335   4.647  0.4560  0.1576  2.1196
+ 5878TIP3    H219083   2.680   0.465   4.705 -2.2089  2.3008 -0.0971
+ 5879TIP3   OH219084   4.400   6.683   4.440  0.3136  0.1043 -0.3826
+ 5879TIP3    H119085   4.493   6.684   4.418  0.4270 -1.2720 -0.0108
+ 5879TIP3    H219086   4.382   6.593   4.467 -1.1382  0.3447 -0.4829
+ 5880TIP3   OH219087   3.011   6.126   4.555 -0.1953  0.3993  0.8620
+ 5880TIP3    H119088   2.969   6.172   4.627 -0.7648 -1.3662  1.6891
+ 5880TIP3    H219089   2.987   6.034   4.568 -0.8424  0.1351 -1.9367
+ 5881TIP3   OH219090   5.642   0.664   0.327  0.3461 -0.6538  0.2828
+ 5881TIP3    H119091   5.564   0.715   0.349 -0.7089 -2.1110 -0.0347
+ 5881TIP3    H219092   5.608   0.579   0.299  2.0386 -1.2175 -0.0957
+ 5882TIP3   OH219093   3.018   0.801   5.516 -0.1629  0.0486  0.3364
+ 5882TIP3    H119094   3.071   0.753   5.580 -0.2970 -0.5706 -0.0215
+ 5882TIP3    H219095   3.082   0.852   5.466 -0.0238  0.2688  0.7373
+ 5883TIP3   OH219096   3.632   0.091   4.499  0.3659  0.2795  0.2886
+ 5883TIP3    H119097   3.672   0.033   4.563 -0.2542  1.2429  1.5716
+ 5883TIP3    H219098   3.647   0.048   4.415  2.2793 -0.3710  0.9491
+ 5884TIP3   OH219099   3.731   0.500   5.692  0.2649  0.3278  0.2408
+ 5884TIP3    H119100   3.694   0.450   5.765 -0.5841  1.7788  0.8237
+ 5884TIP3    H219101   3.698   0.589   5.705 -0.7188  0.3966 -2.4842
+ 5885TIP3   OH219102   5.034   1.527   3.259  0.7043 -0.5132  0.4314
+ 5885TIP3    H119103   5.028   1.591   3.188  0.0739 -0.2814  0.6950
+ 5885TIP3    H219104   5.054   1.444   3.215  3.7175  0.2399  0.2447
+ 5886TIP3   OH219105   3.795   1.669   4.839 -0.9082  0.5576  0.3272
+ 5886TIP3    H119106   3.706   1.700   4.820 -0.8242 -0.0593 -1.1896
+ 5886TIP3    H219107   3.839   1.744   4.878 -1.4154  1.6005 -1.0525
+ 5887TIP3   OH219108   5.205   3.440   4.487 -0.1326 -0.4287 -0.1284
+ 5887TIP3    H119109   5.261   3.510   4.521 -0.3068  0.5571 -1.7866
+ 5887TIP3    H219110   5.265   3.379   4.444 -0.3228  0.8784 -2.3338
+ 5888TIP3   OH219111   1.187   3.831   5.682 -0.2915 -0.7731 -0.2351
+ 5888TIP3    H119112   1.254   3.762   5.682 -2.3741 -2.8400  0.4174
+ 5888TIP3    H219113   1.113   3.793   5.635 -1.9352  0.5590  1.2021
+ 5889TIP3   OH219114   2.821   2.509   6.728 -0.5168 -0.1781  0.0316
+ 5889TIP3    H119115   2.756   2.569   6.763 -0.2360  0.4897 -0.5752
+ 5889TIP3    H219116   2.826   2.531   6.635  0.4284 -0.3511  0.0344
+ 5890TIP3   OH219117   5.990   0.941   5.345 -0.1694  0.2298 -0.0618
+ 5890TIP3    H119118   6.078   0.938   5.307 -0.1787 -1.2356 -0.0135
+ 5890TIP3    H219119   5.995   0.885   5.422 -0.9212  0.8490  0.4451
+ 5891TIP3   OH219120   5.192   2.181   5.017  0.0457 -0.3109  0.5602
+ 5891TIP3    H119121   5.109   2.134   5.015  0.0637 -0.4745  2.4923
+ 5891TIP3    H219122   5.250   2.124   5.069  1.0387  0.3182  0.1576
+ 5892TIP3   OH219123   4.047   0.699   2.767 -0.4965 -0.1438 -0.4236
+ 5892TIP3    H119124   3.962   0.657   2.755 -0.7708  0.3902 -0.3679
+ 5892TIP3    H219125   4.028   0.793   2.769  0.2044  0.0304 -1.3426
+ 5893TIP3   OH219126   2.895   0.923   0.176 -0.6561 -0.3774  0.5693
+ 5893TIP3    H119127   2.945   0.849   0.141 -1.1371  0.1197 -1.2059
+ 5893TIP3    H219128   2.956   0.997   0.173 -0.2929 -0.6163  1.9929
+ 5894TIP3   OH219129   2.114   0.662   3.258  0.0517 -0.0845 -0.1780
+ 5894TIP3    H119130   2.202   0.699   3.270  0.7034 -2.1142  1.4789
+ 5894TIP3    H219131   2.056   0.721   3.306  0.6921  0.4668 -0.0774
+ 5895TIP3   OH219132   2.769   2.364   5.805 -0.4816  0.2225  0.7113
+ 5895TIP3    H119133   2.742   2.331   5.719  0.0245  1.9554 -0.1303
+ 5895TIP3    H219134   2.865   2.366   5.801 -0.4853  1.1203  1.0055
+ 5896TIP3   OH219135   4.334   6.152   4.032 -0.2568  0.2881 -0.0269
+ 5896TIP3    H119136   4.289   6.112   3.957 -1.2862  0.6491  0.3865
+ 5896TIP3    H219137   4.325   6.246   4.019  2.4140  0.4343 -1.1478
+ 5897TIP3   OH219138   5.121   1.396   2.178 -0.1353 -0.6622  0.1798
+ 5897TIP3    H119139   5.060   1.325   2.199 -2.3751  0.7089 -1.4527
+ 5897TIP3    H219140   5.180   1.401   2.254 -0.4679 -3.6685  0.6838
+ 5898TIP3   OH219141   1.737   2.658   1.042 -0.2756 -0.3746 -0.3173
+ 5898TIP3    H119142   1.763   2.748   1.026 -1.6675 -0.0424 -0.7814
+ 5898TIP3    H219143   1.759   2.611   0.961  0.1106 -0.3821 -0.2096
+ 5899TIP3   OH219144   3.174   1.199   2.546 -0.7436 -0.0684  0.0500
+ 5899TIP3    H119145   3.165   1.168   2.456 -1.7388 -2.1780  0.8443
+ 5899TIP3    H219146   3.252   1.153   2.579 -2.7994 -2.6049  1.5480
+ 5900TIP3   OH219147   2.194   4.902   4.504 -0.8308  0.3067  0.0744
+ 5900TIP3    H119148   2.132   4.875   4.572  0.1720  0.4541  1.0621
+ 5900TIP3    H219149   2.225   4.987   4.533 -1.3367  0.9461 -1.2354
+ 5901TIP3   OH219150   4.475   6.808   3.265 -0.2582 -0.3230 -0.2221
+ 5901TIP3    H119151   4.508   6.817   3.354 -0.0333 -0.2719 -0.3116
+ 5901TIP3    H219152   4.549   6.774   3.215 -0.5870 -1.0240 -0.2451
+ 5902TIP3   OH219153   2.923   6.871   4.764  0.2035  0.2074  0.3672
+ 5902TIP3    H119154   2.915   6.882   4.669  1.0722 -1.1952  0.1101
+ 5902TIP3    H219155   2.841   6.831   4.791 -1.2621  3.3319  0.6788
+ 5903TIP3   OH219156   5.293   5.017   5.005  0.1782 -0.3796 -0.0269
+ 5903TIP3    H119157   5.237   4.939   5.006  1.8065 -1.6108 -1.4930
+ 5903TIP3    H219158   5.232   5.090   4.992 -1.2627 -1.5037  0.3186
+ 5904TIP3   OH219159   3.666   5.597   1.695 -0.5934 -0.2737  0.2202
+ 5904TIP3    H119160   3.581   5.613   1.735 -1.4993  0.1499 -1.8137
+ 5904TIP3    H219161   3.652   5.611   1.601  1.6847 -0.3090 -0.1649
+ 5905TIP3   OH219162   6.003   5.814   0.202  0.3110  0.6084  0.4366
+ 5905TIP3    H119163   6.091   5.851   0.204  0.2469  0.6997  2.4458
+ 5905TIP3    H219164   5.947   5.883   0.238 -0.2562 -0.2982  1.3101
+ 5906TIP3   OH219165   4.455   2.619   5.012  0.3312 -0.0797 -0.0269
+ 5906TIP3    H119166   4.479   2.702   4.969 -0.2760 -0.9387 -2.0552
+ 5906TIP3    H219167   4.384   2.643   5.072 -0.8209  0.6358 -1.6432
+ 5907TIP3   OH219168   5.207   1.953   5.408  0.1114  0.3845 -0.3780
+ 5907TIP3    H119169   5.143   1.979   5.341  0.7833  0.9283 -0.8152
+ 5907TIP3    H219170   5.162   1.970   5.491 -0.5463  0.1667 -0.6829
+ 5908TIP3   OH219171   4.211   0.161   6.852 -0.2825  0.2832  0.6232
+ 5908TIP3    H119172   4.143   0.205   6.903 -0.2511  0.7369  0.2717
+ 5908TIP3    H219173   4.163   0.113   6.784 -0.2002  1.3465 -0.1959
+ 5909TIP3   OH219174   3.890   6.679   6.879  0.3450 -0.3471 -0.2466
+ 5909TIP3    H119175   3.832   6.669   6.955  0.0657 -0.8515 -0.5170
+ 5909TIP3    H219176   3.841   6.736   6.820  0.6563  0.2194  0.0461
+ 5910TIP3   OH219177   3.476   0.026   5.145  0.1909  0.2280 -0.1771
+ 5910TIP3    H119178   3.486   0.107   5.194  1.4038  1.0888 -1.8090
+ 5910TIP3    H219179   3.531  -0.037   5.192  0.8520  0.8743 -0.0761
+ 5911TIP3   OH219180   5.407   0.750   4.064  0.1972 -0.0927 -0.1393
+ 5911TIP3    H119181   5.355   0.697   4.003 -1.6296  2.9675 -1.3454
+ 5911TIP3    H219182   5.354   0.753   4.143 -0.9430  1.9915 -0.9461
+ 5912TIP3   OH219183   2.990   0.959   5.077 -0.5223 -0.1004  0.3405
+ 5912TIP3    H119184   2.946   0.945   5.161 -0.5138 -1.0011  0.2010
+ 5912TIP3    H219185   2.925   1.003   5.023 -1.1299 -1.0705  0.2664
+ 5913TIP3   OH219186   4.630   6.023   5.537 -0.4174 -0.5861  0.1857
+ 5913TIP3    H119187   4.642   6.066   5.622 -1.9345 -0.4344  0.3277
+ 5913TIP3    H219188   4.685   5.945   5.542  1.6215  0.8062  0.2834
+ 5914TIP3   OH219189   3.271   0.264   4.112 -0.7284  0.0654 -0.3979
+ 5914TIP3    H119190   3.179   0.270   4.087 -1.5751 -3.0217  1.6276
+ 5914TIP3    H219191   3.271   0.275   4.207  0.9671 -0.0558 -0.3531
+ 5915TIP3   OH219192   2.364   0.813   4.036  0.2256  0.0760  0.0094
+ 5915TIP3    H119193   2.319   0.893   4.008  0.9270  0.6828  0.5813
+ 5915TIP3    H219194   2.444   0.810   3.984 -0.1789 -0.6836 -0.5774
+ 5916TIP3   OH219195   3.111   5.379   3.988 -0.3780 -0.2113 -1.1191
+ 5916TIP3    H119196   3.090   5.377   4.082  0.9802  1.7111 -0.7434
+ 5916TIP3    H219197   3.043   5.433   3.949 -0.2696 -0.0321 -1.0597
+ 5917TIP3   OH219198   5.149   3.169   5.826 -0.4985  0.0605  0.1573
+ 5917TIP3    H119199   5.184   3.225   5.757  0.5022 -1.3941 -0.5401
+ 5917TIP3    H219200   5.054   3.181   5.820 -0.3022  1.7357  0.1011
+ 5918TIP3   OH219201   4.343   0.807   5.018  0.2098  0.6120  0.0229
+ 5918TIP3    H119202   4.307   0.719   5.028  1.2133  0.2487  0.5470
+ 5918TIP3    H219203   4.352   0.819   4.924 -0.2394  0.2771 -0.0618
+ 5919TIP3   OH219204   5.163   2.845   4.599  0.0824 -0.1433 -0.2816
+ 5919TIP3    H119205   5.131   2.934   4.587  2.3232  0.7452  0.1727
+ 5919TIP3    H219206   5.246   2.843   4.552 -0.1468 -2.1303 -0.6504
+ 5920TIP3   OH219207   5.594   2.059   5.568  0.5928 -0.0146 -0.2305
+ 5920TIP3    H119208   5.587   2.144   5.525 -1.5079 -0.0336  0.0193
+ 5920TIP3    H219209   5.613   2.080   5.660 -0.6103  0.2123 -0.0309
+ 5921TIP3   OH219210   6.105   1.600   0.016 -0.0823  0.0812  0.5044
+ 5921TIP3    H119211   6.140   1.666   0.076  0.2321 -0.5464  1.0181
+ 5921TIP3    H219212   6.070   1.651  -0.058 -0.7943  0.8777  1.3827
+ 5922TIP3   OH219213   3.890   5.901   2.862  0.2815  0.2725  0.3355
+ 5922TIP3    H119214   3.816   5.860   2.818  0.3577 -0.4646  0.8851
+ 5922TIP3    H219215   3.868   5.993   2.866 -0.8657 -0.0299  1.0115
+ 5923TIP3   OH219216   4.812   1.141   4.383  0.0757  0.1305 -0.2507
+ 5923TIP3    H119217   4.797   1.162   4.291 -1.4712  0.7338  0.1153
+ 5923TIP3    H219218   4.751   1.070   4.402  1.8210 -1.3785 -0.1949
+ 5924TIP3   OH219219   4.617   1.840   4.675 -0.0579 -0.3989  0.0139
+ 5924TIP3    H119220   4.537   1.804   4.712 -0.4753 -0.5354 -1.0071
+ 5924TIP3    H219221   4.684   1.822   4.741 -0.3322 -2.7097 -0.2878
+ 5925TIP3   OH219222   3.921   1.984   3.968  0.4297 -0.4883 -0.0175
+ 5925TIP3    H119223   3.858   1.922   4.003 -0.1137 -0.8542 -1.6005
+ 5925TIP3    H219224   3.872   2.066   3.960  0.8496 -0.1210  1.0594
+ 5926TIP3   OH219225   3.803   1.409   4.942  0.2584 -0.9651 -0.1321
+ 5926TIP3    H119226   3.825   1.501   4.929  0.2234 -0.5679  2.4473
+ 5926TIP3    H219227   3.712   1.410   4.973  0.8752 -1.7350  1.7291
+ 5927TIP3   OH219228   6.181   0.198   4.028  1.0051  0.0372 -0.3767
+ 5927TIP3    H119229   6.192   0.277   3.975  0.8118  0.0542 -0.3898
+ 5927TIP3    H219230   6.154   0.229   4.114  0.6380 -0.0333 -0.4675
+ 5928TIP3   OH219231   5.593   2.901   5.671 -0.0502 -0.1030  0.0533
+ 5928TIP3    H119232   5.629   2.935   5.753  0.4232  0.7650 -0.5104
+ 5928TIP3    H219233   5.670   2.871   5.622  0.1167  3.3823 -1.9027
+ 5929TIP3   OH219234   2.176   0.640   4.912  0.0933  0.0711 -0.2581
+ 5929TIP3    H119235   2.117   0.618   4.984  2.0415  0.5515  1.4988
+ 5929TIP3    H219236   2.117   0.663   4.840 -1.8775 -0.1000  1.2578
+ 5930TIP3   OH219237   5.129   0.910   0.443 -0.0864  0.2523 -0.1307
+ 5930TIP3    H119238   5.185   0.982   0.472 -0.7166  0.4185  0.6970
+ 5930TIP3    H219239   5.089   0.942   0.362 -2.2785  1.8600  1.5098
+ 5931TIP3   OH219240   5.531   6.796   5.857 -0.0342  0.1658 -0.0655
+ 5931TIP3    H119241   5.439   6.770   5.863  0.3376 -1.3120 -0.5267
+ 5931TIP3    H219242   5.529   6.883   5.818 -1.2853  0.5396  0.7882
+ 5932TIP3   OH219243   4.950   0.750   5.414  0.0056  0.5611  0.2868
+ 5932TIP3    H119244   5.016   0.695   5.371 -1.2343  0.2474 -1.2559
+ 5932TIP3    H219245   4.975   0.749   5.506  0.5264 -1.9062  0.1650
+ 5933TIP3   OH219246   6.262   6.894   4.383  0.8413 -0.3499 -0.3928
+ 5933TIP3    H119247   6.193   6.859   4.439  1.1032 -1.4312 -0.7305
+ 5933TIP3    H219248   6.224   6.896   4.295  0.3896  1.4608 -0.1910
+ 5934TIP3   OH219249   6.682   0.251   4.906  0.7258 -0.2536 -0.0417
+ 5934TIP3    H119250   6.748   0.183   4.893  0.4052 -0.0702 -2.9326
+ 5934TIP3    H219251   6.732   0.333   4.909  0.7388 -0.2214 -1.0436
+ 5935TIP3   OH219252   3.472   1.489   3.650 -0.2200 -0.2671  0.1217
+ 5935TIP3    H119253   3.442   1.517   3.737 -0.2063 -0.3654  0.1581
+ 5935TIP3    H219254   3.566   1.504   3.651  0.2565 -3.0245  1.1774
+ 5936TIP3   OH219255   3.754   6.877   5.663  0.0058 -0.8506 -0.2784
+ 5936TIP3    H119256   3.809   6.859   5.587  1.8161 -0.2473  0.8432
+ 5936TIP3    H219257   3.694   6.803   5.669  2.3907 -2.8058 -0.0448
+ 5937TIP3   OH219258   1.385   2.035   5.996  1.0071  0.0938 -0.3054
+ 5937TIP3    H119259   1.377   1.971   6.067 -1.2136  2.1233  1.3952
+ 5937TIP3    H219260   1.460   2.090   6.020 -0.3975  1.4519  1.1143
+ 5938TIP3   OH219261   5.624   0.608   4.944  0.5001 -0.0004  0.9245
+ 5938TIP3    H119262   5.601   0.536   5.002 -2.2464 -0.7267 -0.9401
+ 5938TIP3    H219263   5.546   0.664   4.943  0.4702  0.0118 -1.9588
+ 5939TIP3   OH219264   6.102   5.435   6.511 -0.5424 -0.0346 -0.0081
+ 5939TIP3    H119265   6.051   5.445   6.592  2.4422 -0.7001  2.0473
+ 5939TIP3    H219266   6.098   5.342   6.491 -0.2468 -0.0708  0.0965
+ 5940TIP3   OH219267   1.623   1.659   2.753 -0.7293  0.3426  0.1046
+ 5940TIP3    H119268   1.693   1.720   2.733 -1.2395  0.4973 -1.2771
+ 5940TIP3    H219269   1.667   1.582   2.789  0.1427  0.4376 -0.7481
+ 5941TIP3   OH219270   6.149   0.247   5.878 -0.4845  0.2723 -0.0384
+ 5941TIP3    H119271   6.124   0.247   5.970  0.1307 -1.0575  0.1317
+ 5941TIP3    H219272   6.186   0.335   5.863  1.6810 -0.3228  1.6050
+ 5942TIP3   OH219273   1.412   1.882   3.105  0.2574  0.0673 -0.6080
+ 5942TIP3    H119274   1.385   1.862   3.016 -1.1216  0.0457 -0.2029
+ 5942TIP3    H219275   1.498   1.842   3.114  0.0256 -0.6772 -1.6489
+ 5943TIP3   OH219276   2.898   0.975   4.456  0.0599 -0.0683  0.3663
+ 5943TIP3    H119277   2.868   0.913   4.523 -0.5597  0.6482  0.7597
+ 5943TIP3    H219278   2.818   1.017   4.425  0.7667  2.8518  2.3790
+ 5944TIP3   OH219279   4.345   1.833   4.051  0.2034  0.0697 -0.0524
+ 5944TIP3    H119280   4.327   1.847   4.144  2.0343 -1.6292  0.6009
+ 5944TIP3    H219281   4.307   1.909   4.007  1.9256  2.4041  2.3569
+ 5945TIP3   OH219282   2.449   5.665   4.617  0.7542  0.2272 -0.2560
+ 5945TIP3    H119283   2.412   5.714   4.691 -0.0445  0.0057 -0.5078
+ 5945TIP3    H219284   2.413   5.709   4.539 -0.3184 -1.0210 -0.4814
+ 5946TIP3   OH219285   2.233   2.390   6.842 -0.5781 -0.3635  0.6941
+ 5946TIP3    H119286   2.257   2.299   6.856  0.6678 -0.1208  0.1671
+ 5946TIP3    H219287   2.278   2.415   6.761 -3.4621 -0.2245 -0.9643
+ 5947TIP3   OH219288   3.582   5.716   6.475 -0.1910 -0.2637  0.1704
+ 5947TIP3    H119289   3.645   5.786   6.457  0.4290 -0.3525  1.8517
+ 5947TIP3    H219290   3.496   5.759   6.471  0.2168  0.7425  1.7178
+ 5948TIP3   OH219291   3.829   0.665   5.977  0.3832  0.7340  0.1359
+ 5948TIP3    H119292   3.838   0.570   5.986  2.1389  0.9585  0.9397
+ 5948TIP3    H219293   3.806   0.695   6.065  1.6787  1.2334  0.3215
+ 5949TIP3   OH219294   4.817   1.860   4.853 -0.0197  0.2102 -0.0056
+ 5949TIP3    H119295   4.799   1.770   4.880 -1.0213  0.4335  0.0802
+ 5949TIP3    H219296   4.908   1.875   4.881 -0.1725 -0.4437  0.8771
+ 5950TIP3   OH219297   2.330   6.033   4.759  0.5350  0.7492  0.4085
+ 5950TIP3    H119298   2.317   6.127   4.757  1.3899  0.8780  0.5754
+ 5950TIP3    H219299   2.424   6.021   4.745  0.3638 -0.0989 -0.1047
+ 5951TIP3   OH219300   3.949   2.610   5.605  0.0747  0.5172  0.0768
+ 5951TIP3    H119301   3.889   2.580   5.674 -1.0046  1.2795 -0.5250
+ 5951TIP3    H219302   3.931   2.552   5.531 -1.3439  2.0017 -0.7713
+ 5952TIP3   OH219303   6.482   2.554   3.972  0.0182 -0.1569 -0.0297
+ 5952TIP3    H119304   6.568   2.545   4.011 -0.6835 -0.8953  1.3851
+ 5952TIP3    H219305   6.474   2.646   3.950  0.7052  0.1311  0.9307
+ 5953TIP3   OH219306   3.461   0.803   6.019  0.3624  0.2339  0.5644
+ 5953TIP3    H119307   3.482   0.722   6.065  1.6524  0.3149  0.1579
+ 5953TIP3    H219308   3.485   0.785   5.928 -0.0884  0.8045  0.3319
+ 5954TIP3   OH219309   3.085   0.506   5.082  0.1672 -0.2194  0.0413
+ 5954TIP3    H119310   3.028   0.583   5.081  0.1554 -0.2156  0.8868
+ 5954TIP3    H219311   3.162   0.532   5.132  0.5974 -0.4520 -0.4931
+ 5955TIP3   OH219312   6.809   4.135   4.172 -0.1828  0.2149  0.0762
+ 5955TIP3    H119313   6.806   4.225   4.202 -0.8118 -0.1673  1.1900
+ 5955TIP3    H219314   6.902   4.117   4.159 -0.1804  1.6461 -2.1421
+ 5956TIP3   OH219315   4.507   2.574   5.663  0.0649 -0.5159  0.0467
+ 5956TIP3    H119316   4.425   2.623   5.671  0.3605  0.2938 -1.5939
+ 5956TIP3    H219317   4.493   2.515   5.588  0.6167 -1.0950  0.3898
+ 5957TIP3   OH219318   1.921   1.892   2.443  0.0574 -0.3570 -0.1933
+ 5957TIP3    H119319   1.873   1.866   2.522  0.1260  1.3934  0.4285
+ 5957TIP3    H219320   1.860   1.874   2.372 -0.8295  0.0892  0.4396
+ 5958TIP3   OH219321   2.941   1.635   4.137 -0.0614  0.2662 -0.2558
+ 5958TIP3    H119322   2.917   1.592   4.219  0.1013 -0.4091 -0.5600
+ 5958TIP3    H219323   2.912   1.726   4.149  1.1520  0.4997  1.0541
+ 5959TIP3   OH219324   2.748   5.613   5.323  0.0991  0.1408  0.5554
+ 5959TIP3    H119325   2.793   5.630   5.406  0.3519  0.5851  0.3276
+ 5959TIP3    H219326   2.776   5.524   5.299 -0.7143 -0.3511  1.4122
+ 5960TIP3   OH219327   4.952   0.890   4.383  0.2013  0.5414  0.4477
+ 5960TIP3    H119328   4.933   0.982   4.366 -1.6471  0.4596  1.9675
+ 5960TIP3    H219329   4.958   0.883   4.478  0.6818 -0.8606  0.3422
+ 5961TIP3   OH219330   6.449   1.493   5.470 -0.3538 -0.1046 -0.4925
+ 5961TIP3    H119331   6.468   1.403   5.444  0.0627 -0.2189  0.1902
+ 5961TIP3    H219332   6.385   1.524   5.405 -0.6702 -0.9582 -0.5942
+ 5962TIP3   OH219333   2.027   0.180   4.644 -0.6299  0.1463 -0.8356
+ 5962TIP3    H119334   2.080   0.147   4.571  1.0273 -0.9259  0.8156
+ 5962TIP3    H219335   2.090   0.197   4.713 -2.3621 -0.4909  0.9378
+ 5963TIP3   OH219336   4.513   0.706   3.567 -0.4497 -0.1216  0.0729
+ 5963TIP3    H119337   4.596   0.706   3.521  0.9553  2.9284  2.4018
+ 5963TIP3    H219338   4.447   0.718   3.499  1.4322  2.7311 -1.3578
+ 5964TIP3   OH219339   3.555   0.542   5.362 -0.8060  0.0377  0.0325
+ 5964TIP3    H119340   3.574   0.466   5.307  2.4226  0.4329  0.5299
+ 5964TIP3    H219341   3.496   0.509   5.429 -1.0638 -1.5296 -0.9407
+ 5965TIP3   OH219342   4.380   0.772   5.304  0.3534  0.4600 -0.1895
+ 5965TIP3    H119343   4.394   0.806   5.216  0.6198 -0.5552 -0.5437
+ 5965TIP3    H219344   4.446   0.704   5.315  1.4821  1.7887  1.4728
+ 5966TIP3   OH219345   4.501   0.235   5.244  0.0497  0.1704 -0.0558
+ 5966TIP3    H119346   4.507   0.167   5.177  0.5822  0.4554 -0.2963
+ 5966TIP3    H219347   4.478   0.314   5.196  1.5486  0.6175 -0.0524
+ 5967TIP3   OH219348   3.171   2.972   0.566  0.6840  0.1186 -0.1068
+ 5967TIP3    H119349   3.239   2.906   0.584 -0.1454 -0.2997  1.5343
+ 5967TIP3    H219350   3.206   3.053   0.603  1.0214  0.2884 -0.7738
+ 5968TIP3   OH219351   2.884   0.827   3.337 -0.3118  0.5324 -0.8879
+ 5968TIP3    H119352   2.814   0.843   3.274 -1.5914  3.1071  1.0796
+ 5968TIP3    H219353   2.924   0.912   3.351  0.3256 -0.0917  1.3388
+ 5969TIP3   OH219354   2.107   6.367   2.591 -0.1284 -0.3583  0.7241
+ 5969TIP3    H119355   2.174   6.409   2.645  0.2609 -1.1598  0.8677
+ 5969TIP3    H219356   2.144   6.281   2.569  0.4964  0.6170 -2.2840
+ 5970TIP3   OH219357   6.142   1.720   3.487 -0.4706  0.2096 -0.2068
+ 5970TIP3    H119358   6.225   1.723   3.440 -0.3293 -0.5186  0.0018
+ 5970TIP3    H219359   6.077   1.746   3.422 -0.2473 -0.5819 -0.7491
+ 5971TIP3   OH219360   5.535   1.096   4.244 -0.3804  0.6062 -0.4876
+ 5971TIP3    H119361   5.501   1.043   4.316 -1.1619  1.0288 -0.5449
+ 5971TIP3    H219362   5.612   1.048   4.214 -0.2973  0.2016  0.3466
+ 5972TIP3   OH219363   2.631   0.738   5.314 -0.1692  0.3437 -0.0043
+ 5972TIP3    H119364   2.563   0.730   5.247 -0.1384 -0.9034  0.0972
+ 5972TIP3    H219365   2.643   0.648   5.346  1.3490  0.5976  0.1472
+ 5973TIP3   OH219366   4.324   1.465   3.625 -0.2806  0.2434 -0.6073
+ 5973TIP3    H119367   4.385   1.441   3.695 -0.7100  0.0161 -0.3137
+ 5973TIP3    H219368   4.237   1.449   3.662 -0.4886 -1.8336 -1.8858
+ 5974TIP3   OH219369   2.916   6.710   2.364  0.2792  0.3341  0.0739
+ 5974TIP3    H119370   2.823   6.731   2.375  0.2970  1.2399 -1.4013
+ 5974TIP3    H219371   2.951   6.781   2.311  2.4572  1.4368  2.8349
+ 5975TIP3   OH219372   6.128   2.978   5.044  0.4075  0.6385  0.3482
+ 5975TIP3    H119373   6.189   2.908   5.067 -0.6765 -0.2913  0.4673
+ 5975TIP3    H219374   6.174   3.029   4.977  0.8752 -0.7078 -0.3773
+ 5976TIP3   OH219375   6.190   6.495   5.834 -0.8857 -0.3606  0.4786
+ 5976TIP3    H119376   6.197   6.421   5.894 -3.1115 -1.3775 -0.4494
+ 5976TIP3    H219377   6.137   6.462   5.762  1.2447  1.0046 -1.7904
+ 5977TIP3   OH219378   6.610   6.684   4.853  0.7514 -0.2734  0.1418
+ 5977TIP3    H119379   6.582   6.596   4.826  1.2329 -0.0160 -1.2727
+ 5977TIP3    H219380   6.639   6.674   4.943  2.3943 -1.9269 -0.5340
+ 5978TIP3   OH219381   5.440   1.483   3.592  0.1216  0.4326 -0.0751
+ 5978TIP3    H119382   5.440   1.527   3.677 -1.1591  0.3385 -0.0191
+ 5978TIP3    H219383   5.417   1.392   3.612 -1.7417  0.7509 -0.6771
+ 5979TIP3   OH219384   1.408   1.685   5.788  0.0856 -0.0389 -0.1582
+ 5979TIP3    H119385   1.472   1.618   5.812  0.6063  1.2875  2.3360
+ 5979TIP3    H219386   1.331   1.635   5.757  0.9288 -1.7305  0.4073
+ 5980TIP3   OH219387   6.237   3.198   3.212 -0.6401 -0.1668  0.4008
+ 5980TIP3    H119388   6.240   3.280   3.163 -0.4878 -0.4134 -0.0050
+ 5980TIP3    H219389   6.184   3.140   3.157 -0.6751 -0.3682  0.6472
+ 5981TIP3   OH219390   6.064   1.680   4.216 -0.3443  0.3379 -0.1889
+ 5981TIP3    H119391   6.095   1.770   4.216 -0.0664  0.2467 -1.3063
+ 5981TIP3    H219392   6.130   1.632   4.165  1.3547 -1.1326  3.1792
+ 5982TIP3   OH219393   6.689   0.844   5.912  0.0428  0.4834 -0.7403
+ 5982TIP3    H119394   6.640   0.918   5.948  1.7738  1.8273 -1.1182
+ 5982TIP3    H219395   6.644   0.767   5.948  0.4254  1.7369  2.6784
+ 5983TIP3   OH219396   5.146   0.798   5.937 -0.5922  0.0426  0.0459
+ 5983TIP3    H119397   5.116   0.805   6.028  0.3743  1.7349  0.2549
+ 5983TIP3    H219398   5.112   0.713   5.908 -1.5494 -0.2000  1.7419
+ 5984TIP3   OH219399   0.215   0.752   5.678 -0.2157  0.5398  0.3740
+ 5984TIP3    H119400   0.136   0.801   5.654 -0.8277 -0.2614  0.7389
+ 5984TIP3    H219401   0.269   0.817   5.724 -0.5853  1.1362 -0.0235
+ 5985TIP3   OH219402   6.741   1.753   4.796 -0.5565 -0.1455  1.0272
+ 5985TIP3    H119403   6.760   1.734   4.888  2.8058 -0.9960  0.2251
+ 5985TIP3    H219404   6.689   1.678   4.767  0.5490 -1.1758  1.6103
+ 5986TIP3   OH219405   0.214   1.554   5.309  0.1686 -0.0611  0.0698
+ 5986TIP3    H119406   0.271   1.482   5.336 -1.0401 -0.8608  0.5365
+ 5986TIP3    H219407   0.140   1.551   5.370 -0.7290  0.5037 -0.9569
+ 5987TIP3   OH219408   4.182   1.244   4.350 -0.0518  0.2154  0.1878
+ 5987TIP3    H119409   4.275   1.245   4.326  0.4084 -0.8559  1.8885
+ 5987TIP3    H219410   4.176   1.179   4.419 -1.9232  0.9880  0.7655
+ 5988TIP3   OH219411   3.968   1.130   5.325 -0.8051 -0.4349  0.0479
+ 5988TIP3    H119412   4.061   1.136   5.348 -0.8029 -2.6327  0.7250
+ 5988TIP3    H219413   3.924   1.189   5.386 -0.0666 -0.9930  1.1293
+ 5989TIP3   OH219414   3.454   1.149   3.919  0.2750  0.2641 -0.2406
+ 5989TIP3    H119415   3.393   1.217   3.889 -1.0012 -0.9716 -0.4865
+ 5989TIP3    H219416   3.399   1.073   3.935  1.6073 -0.5324  0.6670
+ 5990TIP3   OH219417   0.204   2.779   3.620  0.3375  0.0005  0.3315
+ 5990TIP3    H119418   0.213   2.857   3.675 -0.2197  0.7053 -0.5733
+ 5990TIP3    H219419   0.291   2.766   3.582  0.1630  0.8273 -0.3714
+ 5991TIP3   OH219420   4.558   5.216   6.312  0.3982 -0.3418 -0.0477
+ 5991TIP3    H119421   4.589   5.306   6.320 -2.3420  0.7886 -1.6660
+ 5991TIP3    H219422   4.576   5.192   6.221  0.1824 -1.0888  0.1038
+ 5992TIP3   OH219423   4.538   3.277   5.711  0.5126 -0.9228 -0.1475
+ 5992TIP3    H119424   4.530   3.319   5.797 -2.7454  0.4494 -1.0928
+ 5992TIP3    H219425   4.613   3.321   5.670  0.0711  0.6524  0.7158
+ 5993TIP3   OH219426   6.169   0.357   5.183  0.2503 -0.8936  0.8977
+ 5993TIP3    H119427   6.123   0.419   5.240  1.8837  0.6440  0.5688
+ 5993TIP3    H219428   6.133   0.374   5.096  2.3894  1.3326  0.3817
+ 5994TIP3   OH219429   0.180   5.847   4.775  0.2355 -0.4121  0.2856
+ 5994TIP3    H119430   0.139   5.890   4.850  2.4438  1.9684  0.2010
+ 5994TIP3    H219431   0.107   5.811   4.724 -1.6940  3.0247  0.5162
+ 5995TIP3   OH219432   0.817   5.637   3.412  0.5272 -0.0434 -0.5207
+ 5995TIP3    H119433   0.866   5.581   3.473 -0.0124  1.3612  1.2535
+ 5995TIP3    H219434   0.733   5.591   3.400  1.3162 -1.2367 -1.6747
+ 5996TIP3   OH219435   5.046   1.711   3.006 -0.0346  0.3317 -0.1386
+ 5996TIP3    H119436   4.960   1.747   3.023 -0.0255  0.0500  0.4996
+ 5996TIP3    H219437   5.107   1.778   3.037  0.0046 -1.0534  2.9610
+ 5997TIP3   OH219438   5.211   1.176   4.383 -0.0971  0.7594 -0.2378
+ 5997TIP3    H119439   5.164   1.157   4.464 -1.1629  0.2894 -0.9550
+ 5997TIP3    H219440   5.295   1.211   4.412 -0.3020  0.2100  1.0742
+ 5998TIP3   OH219441   0.608   0.703   0.141 -0.2208 -0.3124  0.5259
+ 5998TIP3    H119442   0.689   0.659   0.168 -0.4540 -0.7477  0.5234
+ 5998TIP3    H219443   0.638   0.779   0.091  0.2194  0.6165  2.1734
+ 5999TIP3   OH219444   5.052   0.430   6.185  0.4826  0.1374 -0.4099
+ 5999TIP3    H119445   4.980   0.412   6.246  1.0450  0.3338  0.3190
+ 5999TIP3    H219446   5.077   0.344   6.152  2.3799 -0.3624  2.1743
+ 6000TIP3   OH219447   6.671   2.303   5.243  0.4061  0.2647  0.4006
+ 6000TIP3    H119448   6.694   2.339   5.329  0.7491 -0.0896  0.4564
+ 6000TIP3    H219449   6.577   2.286   5.249  0.2926  0.9027  0.4663
+ 6001TIP3   OH219450   4.671   5.740   6.057  0.0443 -0.2059  0.0612
+ 6001TIP3    H119451   4.723   5.719   6.135 -3.5064 -0.8736  2.3642
+ 6001TIP3    H219452   4.675   5.660   6.004 -0.4327 -1.0573  1.2839
+ 6002TIP3   OH219453   4.641   6.789   2.714 -0.3591 -0.3275  0.1258
+ 6002TIP3    H119454   4.715   6.846   2.692  0.8136 -1.5309  0.9205
+ 6002TIP3    H219455   4.617   6.748   2.630  0.9835 -1.2320  0.1711
+ 6003TIP3   OH219456   4.910   3.073   6.238  0.1508  0.2259  0.2883
+ 6003TIP3    H119457   4.867   3.076   6.153 -0.2856  0.0408  0.4999
+ 6003TIP3    H219458   5.001   3.098   6.220  0.4516 -1.3403 -0.4902
+ 6004TIP3   OH219459   5.371   1.029   4.017  0.6766 -0.1416  0.1585
+ 6004TIP3    H119460   5.358   0.940   4.050 -0.2985  0.1707  0.6466
+ 6004TIP3    H219461   5.448   1.061   4.065  0.6393 -0.4998  0.4613
+ 6005TIP3   OH219462   5.043   1.022   5.383  0.1569 -0.9492 -0.7282
+ 6005TIP3    H119463   5.041   0.927   5.386 -2.9747 -0.9019  0.7847
+ 6005TIP3    H219464   5.117   1.047   5.438 -0.1208 -2.4874  0.3594
+ 6006TIP3   OH219465   4.272   3.359   5.046 -0.1881  0.3383  0.2197
+ 6006TIP3    H119466   4.287   3.352   5.140 -0.6285 -0.1650  0.2573
+ 6006TIP3    H219467   4.352   3.326   5.006  0.5840  1.9440  0.4151
+ 6007TIP3   OH219468   0.856   1.490   4.146  0.4229  0.5935 -0.2134
+ 6007TIP3    H119469   0.772   1.515   4.107 -0.0393 -0.9422 -0.2312
+ 6007TIP3    H219470   0.908   1.456   4.073 -0.4959 -2.4224  0.4454
+ 6008TIP3   OH219471   5.983   1.390   3.774  0.0554 -0.1014 -0.6055
+ 6008TIP3    H119472   5.895   1.387   3.813 -0.1851 -0.2426 -1.1535
+ 6008TIP3    H219473   6.016   1.477   3.796  0.3474 -0.5737  0.8330
+ 6009TIP3   OH219474   0.433   2.569   4.054 -0.2473  0.6613 -0.4587
+ 6009TIP3    H119475   0.424   2.571   3.958 -1.2664  0.9173 -0.3642
+ 6009TIP3    H219476   0.344   2.555   4.086 -0.0674  1.5906  0.4805
+ 6010TIP3   OH219477   5.884   1.841   5.439  0.5036 -0.3363  0.4661
+ 6010TIP3    H119478   5.945   1.787   5.490  1.3523  0.0999 -0.0748
+ 6010TIP3    H219479   5.813   1.861   5.500  1.0258 -0.6459  1.1851
+ 6011TIP3   OH219480   5.533   6.138   4.888  0.6254  0.0516 -0.0547
+ 6011TIP3    H119481   5.457   6.176   4.932  0.7044  1.2629 -0.9623
+ 6011TIP3    H219482   5.596   6.121   4.959 -0.0544  0.0584  0.5514
+ 6012TIP3   OH219483   6.778   6.004   6.249 -0.0766  0.1402 -0.3372
+ 6012TIP3    H119484   6.814   5.916   6.239 -0.4678 -0.1097  0.4154
+ 6012TIP3    H219485   6.764   6.014   6.343 -1.7545  0.3089 -0.5956
+ 6013TIP3   OH219486   6.364   6.164   4.387  0.1900  0.3693 -0.2619
+ 6013TIP3    H119487   6.323   6.185   4.302 -0.9112  0.7981  0.3589
+ 6013TIP3    H219488   6.403   6.247   4.415  0.1326  0.3506 -0.1270
+ 6014TIP3   OH219489   5.715   0.518   6.078 -0.4006  0.1957 -0.7485
+ 6014TIP3    H119490   5.716   0.580   6.150  0.9336 -0.2494 -0.3638
+ 6014TIP3    H219491   5.751   0.437   6.114 -1.5722 -0.6317 -1.3977
+ 6015TIP3   OH219492   1.614   1.388   3.950  0.2869 -0.2863 -0.0626
+ 6015TIP3    H119493   1.654   1.474   3.962  2.6941 -1.4782  0.6088
+ 6015TIP3    H219494   1.687   1.326   3.952 -1.5064 -2.4622  0.5277
+ 6016TIP3   OH219495   2.254   1.206   5.972 -0.4945  0.3199  0.1812
+ 6016TIP3    H119496   2.309   1.147   6.022 -0.2766 -0.1790 -0.6381
+ 6016TIP3    H219497   2.301   1.290   5.974  1.5673 -0.6795 -2.5271
+ 6017TIP3   OH219498   6.830   0.902   3.028  0.0376  0.1907 -0.2276
+ 6017TIP3    H119499   6.922   0.883   3.008  0.3359  0.5080  0.8246
+ 6017TIP3    H219500   6.818   0.993   3.001 -0.1825 -0.0812 -1.0732
+ 6018TIP3   OH219501   4.096   1.355   3.222 -0.0550  0.1345  0.0962
+ 6018TIP3    H119502   4.084   1.261   3.209  1.9989  0.0907 -1.8022
+ 6018TIP3    H219503   4.137   1.362   3.308 -2.7679 -0.4887  1.4667
+ 6019TIP3   OH219504   2.960   1.217   4.721 -0.5807  0.3652  0.1478
+ 6019TIP3    H119505   2.913   1.163   4.784 -0.3213 -0.7137 -0.5595
+ 6019TIP3    H219506   2.897   1.231   4.650 -1.0949  2.1251  0.9169
+ 6020TIP3   OH219507   4.371   6.499   3.792  0.4428 -0.4055 -0.3815
+ 6020TIP3    H119508   4.421   6.475   3.870  1.7956  0.0346 -1.1087
+ 6020TIP3    H219509   4.373   6.421   3.737  1.0925 -0.0936 -0.8030
+ 6021TIP3   OH219510   2.742   0.849   5.830 -0.0516  0.0291 -0.1667
+ 6021TIP3    H119511   2.791   0.780   5.874 -2.3287 -1.7261 -0.2774
+ 6021TIP3    H219512   2.740   0.823   5.738 -0.5357  0.4758 -0.2838
+ 6022TIP3   OH219513   2.238   6.632   6.461 -0.6014 -0.2675  0.1208
+ 6022TIP3    H119514   2.201   6.626   6.549  0.0375  1.0667  0.4935
+ 6022TIP3    H219515   2.325   6.671   6.474  0.3574 -1.9773 -0.8903
+ 6023TIP3   OH219516   6.288   0.266   4.493 -0.0517  0.5330 -0.3305
+ 6023TIP3    H119517   6.351   0.298   4.558  0.4270 -0.9290 -0.0474
+ 6023TIP3    H219518   6.304   0.171   4.489 -0.0172  0.5994 -2.6272
+ 6024TIP3   OH219519   4.602   6.689   2.175 -0.1553  0.6927  0.0495
+ 6024TIP3    H119520   4.609   6.698   2.080 -0.7350 -0.6999 -0.1442
+ 6024TIP3    H219521   4.689   6.661   2.203 -0.6822 -1.5074 -0.4229
+ 6025TIP3   OH219522   6.804   1.850   3.041 -0.5496 -0.0442 -0.6429
+ 6025TIP3    H119523   6.764   1.920   2.989  0.2194  1.0634  0.2166
+ 6025TIP3    H219524   6.730   1.800   3.074 -1.1701  0.9636 -0.4641
+ 6026TIP3   OH219525   0.236   0.077   4.205  0.4703  0.0736 -0.0081
+ 6026TIP3    H119526   0.247  -0.017   4.221 -2.1249 -0.3727 -0.7213
+ 6026TIP3    H219527   0.144   0.088   4.184  0.7021  2.8259  0.1711
+ 6027TIP3   OH219528   2.955   2.285   5.330  0.5827 -0.2740  0.1438
+ 6027TIP3    H119529   3.011   2.240   5.393  1.3968  1.7777  0.9339
+ 6027TIP3    H219530   2.889   2.220   5.306  1.8135 -1.9217  1.1145
+ 6028TIP3   OH219531   0.123   2.248   4.494  0.3369  0.2232  0.1118
+ 6028TIP3    H119532   0.036   2.219   4.467  0.4316  0.4650 -0.4604
+ 6028TIP3    H219533   0.107   2.311   4.564 -0.0227  1.5585 -1.1603
+ 6029TIP3   OH219534   6.452   6.491   3.785 -0.3703  0.3327  0.6091
+ 6029TIP3    H119535   6.362   6.511   3.759  0.1314  0.6660 -0.9106
+ 6029TIP3    H219536   6.455   6.396   3.791 -1.0077  0.3535  1.3731
+ 6030TIP3   OH219537   5.682   1.456   5.094 -0.5877  0.2129 -0.3394
+ 6030TIP3    H119538   5.751   1.391   5.076 -0.1475  0.4280  0.5333
+ 6030TIP3    H219539   5.670   1.502   5.011  1.4061  1.2013 -0.1268
+ 6031TIP3   OH219540   6.354   0.943   4.938 -0.2478  0.0661 -0.3807
+ 6031TIP3    H119541   6.282   0.999   4.967  0.3147  1.0468 -0.8788
+ 6031TIP3    H219542   6.423   1.003   4.911  1.0702 -0.8723  0.8285
+ 6032TIP3   OH219543   5.778   1.864   5.723  0.3066 -0.4023  0.0682
+ 6032TIP3    H119544   5.822   1.824   5.798  0.1252 -0.4676  0.1391
+ 6032TIP3    H219545   5.685   1.845   5.736  0.4069 -1.6053 -0.8907
+ 6033TIP3   OH219546   5.883   3.023   4.880 -0.3212  0.0781  0.2292
+ 6033TIP3    H119547   5.932   3.020   4.797 -1.9690 -0.5716 -0.7472
+ 6033TIP3    H219548   5.936   2.970   4.940  0.9617  0.6598 -0.3556
+ 6034TIP3   OH219549   5.047   0.552   2.858  0.3274  0.4147  0.1004
+ 6034TIP3    H119550   4.998   0.514   2.785  1.8367  0.6182 -1.0454
+ 6034TIP3    H219551   5.002   0.634   2.876  1.1306  1.3576 -1.9761
+ 6035TIP3   OH219552   5.688   6.647   4.375 -0.2895  0.0208  0.0231
+ 6035TIP3    H119553   5.720   6.733   4.401  1.5298 -0.4725 -0.5282
+ 6035TIP3    H219554   5.744   6.622   4.302 -2.6393 -0.4215 -1.6638
+ 6036TIP3   OH219555   6.029   0.616   5.591 -0.6290  0.1413  0.1629
+ 6036TIP3    H119556   6.111   0.623   5.639  0.1962 -2.0376 -0.8593
+ 6036TIP3    H219557   5.967   0.578   5.653 -0.2110 -0.4278  0.2359
+ 6037TIP3   OH219558   0.408   0.266   3.322  0.0376  0.2700 -0.0756
+ 6037TIP3    H119559   0.418   0.326   3.248  1.0257  0.7295  0.4214
+ 6037TIP3    H219560   0.314   0.247   3.325 -0.0367  0.3845 -1.3394
+ 6038TIP3   OH219561   6.039   3.130   4.210  0.2754 -0.3950 -0.2827
+ 6038TIP3    H119562   6.083   3.215   4.212  0.1428 -0.3178 -0.5892
+ 6038TIP3    H219563   6.108   3.066   4.227  0.3445 -0.2142  0.1172
+ 6039TIP3   OH219564   5.552   1.536   5.615  0.4837  0.1523 -0.3474
+ 6039TIP3    H119565   5.535   1.625   5.584  1.0226  0.1782 -0.5797
+ 6039TIP3    H219566   5.624   1.506   5.561 -0.2918 -0.7608 -0.8833
+ 6040TIP3   OH219567   4.836   0.843   5.183 -0.2130 -0.1543  0.0377
+ 6040TIP3    H119568   4.806   0.929   5.212 -0.3626 -0.2695  0.2264
+ 6040TIP3    H219569   4.890   0.811   5.256  0.0203 -0.1295 -0.1219
+ 6041TIP3   OH219570   6.768   1.144   3.482 -0.0858 -0.3001 -0.2016
+ 6041TIP3    H119571   6.749   1.084   3.411 -0.9481 -0.2456 -0.0229
+ 6041TIP3    H219572   6.693   1.137   3.541 -1.2857  2.5902 -1.2944
+ 6042TIP3   OH219573   1.357   0.100   4.752  0.1745  0.5132  0.3557
+ 6042TIP3    H119574   1.405   0.018   4.747  1.6283  1.2228  2.0394
+ 6042TIP3    H219575   1.275   0.077   4.795 -0.7283 -0.5741 -1.8689
+ 6043TIP3   OH219576   4.927   1.215   3.939 -0.2994 -0.5008  0.2009
+ 6043TIP3    H119577   4.929   1.168   3.856 -0.8645  2.0755 -1.3256
+ 6043TIP3    H219578   4.995   1.174   3.992  0.5769 -1.6913 -1.8144
+ 6044TIP3   OH219579   5.776   1.659   0.612 -0.4206 -0.1105  0.2604
+ 6044TIP3    H119580   5.811   1.571   0.627  1.2455  0.2801 -1.2205
+ 6044TIP3    H219581   5.839   1.718   0.654 -0.5724  0.4670 -0.3191
+ 6045TIP3   OH219582   6.786   0.483   3.863 -0.1515 -0.0777  0.7691
+ 6045TIP3    H119583   6.711   0.442   3.821 -1.0674  0.7142  1.5977
+ 6045TIP3    H219584   6.812   0.422   3.932 -1.1866  0.4468  1.6584
+ 6046TIP3   OH219585   4.165   1.035   6.396  0.1370 -0.0146 -0.0947
+ 6046TIP3    H119586   4.228   1.035   6.467 -1.1432 -1.1332  1.0796
+ 6046TIP3    H219587   4.151   0.942   6.376 -1.9978  0.1555  0.4775
+ 6047TIP3   OH219588   5.273   6.562   0.395  0.3160  0.1057  0.7051
+ 6047TIP3    H119589   5.291   6.522   0.480  0.0069 -1.8321 -0.1255
+ 6047TIP3    H219590   5.225   6.495   0.346  0.5682  1.1610 -1.0416
+ 6048TIP3   OH219591   4.031   6.160   3.304  0.0336  0.4694 -0.2656
+ 6048TIP3    H119592   4.117   6.176   3.264  1.1719  0.1142  1.9738
+ 6048TIP3    H219593   4.026   6.065   3.311 -1.1028  0.4154 -1.5003
+ 6049TIP3   OH219594   6.576   1.851   4.288  0.6204 -0.2496 -0.0982
+ 6049TIP3    H119595   6.651   1.791   4.289  2.1492  1.6415  0.5779
+ 6049TIP3    H219596   6.544   1.847   4.198  1.2219 -1.4558 -0.2655
+ 6050TIP3   OH219597   0.102   0.578   2.419  0.1849 -0.2123 -0.7036
+ 6050TIP3    H119598   0.110   0.616   2.332 -1.9780 -0.2171 -0.9326
+ 6050TIP3    H219599   0.108   0.483   2.405  1.7465 -0.1354 -0.6013
+ 6051TIP3   OH219600   5.910   6.406   5.733  0.4672  0.5059 -0.1681
+ 6051TIP3    H119601   5.820   6.373   5.728  1.5500 -2.4823 -1.3497
+ 6051TIP3    H219602   5.918   6.464   5.658 -0.4324  0.6741 -0.1439
+ 6052TIP3   OH219603   5.439   0.095   4.784  0.0554  0.5993  0.5362
+ 6052TIP3    H119604   5.514   0.064   4.834 -0.8498  0.6364  1.9515
+ 6052TIP3    H219605   5.458   0.070   4.694  1.7023  0.5002  0.9009
+ 6053TIP3   OH219606   4.359   2.472   4.662  0.5026 -0.0717  0.1251
+ 6053TIP3    H119607   4.423   2.531   4.621  0.6219  0.2968  0.8364
+ 6053TIP3    H219608   4.400   2.386   4.655 -0.4066 -0.3449 -2.4164
+ 6054TIP3   OH219609   5.434   1.285   2.930  0.6858  0.1121 -0.3475
+ 6054TIP3    H119610   5.344   1.289   2.964  0.0804  1.2916 -2.0322
+ 6054TIP3    H219611   5.473   1.211   2.977 -1.5909 -1.3333 -0.6115
+ 6055TIP3   OH219612   6.604   0.195   2.572  0.3462  0.2629 -1.2495
+ 6055TIP3    H119613   6.647   0.150   2.499  0.6406  0.0887 -0.9662
+ 6055TIP3    H219614   6.609   0.133   2.645  0.8370  0.7916 -0.8315
+ 6056TIP3   OH219615   4.249   1.151   5.308 -0.6549  0.2006  0.5056
+ 6056TIP3    H119616   4.235   1.240   5.338 -1.8848  0.5909 -1.1209
+ 6056TIP3    H219617   4.344   1.142   5.300 -0.4577  0.8776  2.0584
+ 6057TIP3   OH219618   5.952   6.743   5.995  0.6938  0.2545  0.3370
+ 6057TIP3    H119619   5.998   6.795   6.061  0.2624 -0.2184  1.0159
+ 6057TIP3    H219620   6.011   6.669   5.977  0.5753  0.0945  0.5962
+ 6058TIP3   OH219621   6.353   2.654   1.173  0.0458  0.1152 -0.0799
+ 6058TIP3    H119622   6.387   2.635   1.261  1.4482  1.7581 -0.2336
+ 6058TIP3    H219623   6.418   2.711   1.134 -1.1677  0.3973 -1.7610
+ 6059TIP3   OH219624   4.249   0.802   0.114  0.5986 -0.1345 -0.0778
+ 6059TIP3    H119625   4.316   0.737   0.137  0.2378 -0.8624 -1.0730
+ 6059TIP3    H219626   4.292   0.858   0.051  0.2028 -0.7392 -0.8904
+ 6060TIP3   OH219627   5.358   1.671   4.818  0.1663  0.1460 -0.5015
+ 6060TIP3    H119628   5.323   1.583   4.833  1.4556 -0.2486  0.1861
+ 6060TIP3    H219629   5.280   1.727   4.820 -0.5724 -0.8651 -0.1341
+ 6061TIP3   OH219630   6.070   0.518   2.706 -0.3705 -0.1774 -0.5791
+ 6061TIP3    H119631   6.006   0.488   2.642 -0.7687 -1.5585  0.4688
+ 6061TIP3    H219632   6.022   0.579   2.762 -0.6542 -0.9094 -0.0351
+ 6062TIP3   OH219633   4.789   2.968   5.992  0.2016  0.2645 -0.1581
+ 6062TIP3    H119634   4.751   3.012   5.916 -1.2934 -0.3480  0.2102
+ 6062TIP3    H219635   4.714   2.933   6.040  1.1541  0.2509  1.3724
+ 6063TIP3   OH219636   0.723   0.042   4.176 -0.5474 -0.0814 -0.0317
+ 6063TIP3    H119637   0.730   0.111   4.110 -1.1309  0.0317  0.0176
+ 6063TIP3    H219638   0.643  -0.005   4.154 -0.0774 -0.8354 -0.1445
+ 6064TIP3   OH219639   6.510   0.096   3.659  0.5439  0.1641  0.1456
+ 6064TIP3    H119640   6.522   0.004   3.682  1.2441  0.5541  1.3694
+ 6064TIP3    H219641   6.419   0.101   3.630 -0.0055 -0.5882  1.6951
+ 6065TIP3   OH219642   3.671   2.754   0.531 -0.6484  0.4445 -0.3388
+ 6065TIP3    H119643   3.627   2.807   0.465  2.7202 -0.0969 -3.1178
+ 6065TIP3    H219644   3.760   2.788   0.535 -0.0506 -1.2443  2.0324
+ 6066TIP3   OH219645   4.794   0.019   5.151  0.3215 -0.3622 -0.0527
+ 6066TIP3    H119646   4.709   0.002   5.111 -0.5978  1.6643  0.9771
+ 6066TIP3    H219647   4.773   0.050   5.239  2.0477  1.3586 -0.2125
+ 6067TIP3   OH219648   6.566   2.311   3.625  0.2850  0.1866 -0.1742
+ 6067TIP3    H119649   6.568   2.404   3.600 -1.7729 -0.0773 -1.4516
+ 6067TIP3    H219650   6.526   2.311   3.712  1.5928  0.6005  0.4365
+ 6068TIP3   OH219651   5.823   0.322   3.006  0.6809  0.0593 -0.4309
+ 6068TIP3    H119652   5.776   0.402   2.981  1.1233  0.3327 -0.4074
+ 6068TIP3    H219653   5.855   0.340   3.094  2.4554  0.6407 -1.1589
+ 6069TIP3   OH219654   0.378   1.595   5.010 -0.1367  0.0852  0.2300
+ 6069TIP3    H119655   0.419   1.582   5.096  0.8006  2.2307  0.1564
+ 6069TIP3    H219656   0.441   1.559   4.948 -0.8577 -1.5561  0.4270
+ 6070TIP3   OH219657   6.854   1.313   4.256 -0.6823  0.5123 -0.6920
+ 6070TIP3    H119658   6.789   1.358   4.203 -0.1468  1.7814 -0.2803
+ 6070TIP3    H219659   6.910   1.269   4.191 -0.3945  1.5543 -1.1573
+ 6071TIP3   OH219660   3.357   6.531   4.375  0.1026  0.0807  0.2952
+ 6071TIP3    H119661   3.345   6.525   4.469 -1.3825  2.5307  0.3091
+ 6071TIP3    H219662   3.272   6.509   4.338  0.2985  0.4850 -0.4101
+ 6072TIP3   OH219663   5.669   2.163   6.318 -0.0178 -0.0096 -1.0671
+ 6072TIP3    H119664   5.713   2.241   6.285 -0.7414  0.6022 -0.5996
+ 6072TIP3    H219665   5.589   2.196   6.359  0.1362 -0.9106 -0.0228
+ 6073TIP3   OH219666   5.339   4.894   5.997 -0.0161 -0.0747 -0.5653
+ 6073TIP3    H119667   5.382   4.978   6.010  0.3812  0.0060 -2.3091
+ 6073TIP3    H219668   5.404   4.830   6.027  0.2733  0.1762 -0.6526
+ 6074TIP3   OH219669   5.628   5.317   6.648  0.1996  0.4464  0.1760
+ 6074TIP3    H119670   5.591   5.308   6.560  0.0720 -2.5086  0.4944
+ 6074TIP3    H219671   5.721   5.299   6.637  0.3906  1.1927  0.4985
+ 6075TIP3   OH219672   5.199   5.612   3.893 -0.4152 -0.4135 -0.7946
+ 6075TIP3    H119673   5.249   5.627   3.974 -0.1533 -0.2053 -0.9892
+ 6075TIP3    H219674   5.108   5.627   3.917 -0.0114  3.6367 -1.4165
+ 6076TIP3   OH219675   6.797   6.386   5.437  0.0092  0.3070  0.0656
+ 6076TIP3    H119676   6.801   6.304   5.389  2.7366  0.0023  0.7702
+ 6076TIP3    H219677   6.859   6.444   5.393 -1.3477  1.7630  0.0218
+ 6077TIP3   OH219678   4.767   6.446   6.143  0.0795  0.0085  0.8633
+ 6077TIP3    H119679   4.842   6.387   6.150  0.5304  0.6274  1.2772
+ 6077TIP3    H219680   4.765   6.494   6.226 -0.4763  0.3516  0.6605
+ 6078TIP3   OH219681   6.553   2.999   0.516  0.0537 -0.5998 -0.3583
+ 6078TIP3    H119682   6.571   2.989   0.423  0.5329  0.0703 -0.3405
+ 6078TIP3    H219683   6.490   3.071   0.521  2.1629  1.2473  0.0299
+ 6079TIP3   OH219684   4.997   1.646   2.181 -0.3040 -0.4388 -0.3220
+ 6079TIP3    H119685   5.031   1.559   2.202  2.7663  0.6434 -0.5914
+ 6079TIP3    H219686   4.940   1.668   2.255  1.4014 -1.3532  1.2962
+ 6080TIP3   OH219687   6.084   6.825   3.305  0.0923 -0.8628 -1.0311
+ 6080TIP3    H119688   6.088   6.732   3.282  1.0481 -1.2011  0.4429
+ 6080TIP3    H219689   6.059   6.826   3.397  1.4753  0.2854 -0.6448
+ 6081TIP3   OH219690   5.020   2.619   3.929 -0.5755 -0.4302  0.1943
+ 6081TIP3    H119691   5.065   2.626   3.845 -0.1175 -0.9886  0.3918
+ 6081TIP3    H219692   5.035   2.704   3.971 -1.3083  0.0578 -0.5371
+ 6082TIP3   OH219693   5.838   5.809   2.987  0.5295  0.6706 -0.5601
+ 6082TIP3    H119694   5.921   5.840   2.950  1.2946  0.9475  1.3452
+ 6082TIP3    H219695   5.853   5.716   3.004  0.3765  0.6635 -0.4641
+ 6083TIP3   OH219696   0.109   0.676   3.808  0.1935  0.4364 -0.5868
+ 6083TIP3    H119697   0.097   0.585   3.837  2.4662 -0.1372 -1.3129
+ 6083TIP3    H219698   0.023   0.716   3.818 -0.2759 -1.1234  2.0464
+ 6084TIP3   OH219699   3.833   1.112   5.030  0.2755  0.1017 -0.1906
+ 6084TIP3    H119700   3.855   1.203   5.012  0.7513 -0.2304 -1.3185
+ 6084TIP3    H219701   3.750   1.097   4.985  1.0335 -0.4837 -1.4331
+ 6085TIP3   OH219702   6.823   0.992   4.166  0.3132 -0.0902  0.3925
+ 6085TIP3    H119703   6.756   1.058   4.149  1.3669  1.5302  2.4242
+ 6085TIP3    H219704   6.784   0.911   4.132 -1.1858  1.4369 -1.7289
+ 6086TIP3   OH219705   6.523   1.756   4.033  0.0524  0.1547 -0.3196
+ 6086TIP3    H119706   6.502   1.774   3.941  0.2373 -0.1432 -0.4206
+ 6086TIP3    H219707   6.464   1.685   4.058  0.0628  0.1759 -0.2325
+ 6087TIP3   OH219708   5.030   0.465   3.940  0.2564  0.2832 -0.3625
+ 6087TIP3    H119709   4.959   0.463   3.876 -0.5289  1.5407  0.4238
+ 6087TIP3    H219710   4.989   0.500   4.019  1.3191 -0.7869  0.6803
+ 6088TIP3   OH219711   4.824   1.267   4.634  0.2432  0.1868  0.2927
+ 6088TIP3    H119712   4.806   1.195   4.695  1.2998  0.1618  0.5736
+ 6088TIP3    H219713   4.808   1.229   4.548  0.3241 -0.2440  0.4656
+ 6089TIP3   OH219714   6.478   2.280   0.590 -0.3981  0.1060 -0.4125
+ 6089TIP3    H119715   6.459   2.219   0.661  1.1160  0.1087  0.0097
+ 6089TIP3    H219716   6.540   2.342   0.628 -0.0566  0.4699 -1.5546
+ 6090TIP3   OH219717   5.077   2.232   5.636  0.0240  0.3589  0.2270
+ 6090TIP3    H119718   5.014   2.253   5.567 -1.1884  0.6747  1.4141
+ 6090TIP3    H219719   5.145   2.299   5.627  0.6509 -0.4815 -1.5919
+ 6091TIP3   OH219720   5.782   1.855   5.062  0.0947 -0.2215  0.0742
+ 6091TIP3    H119721   5.788   1.771   5.107 -1.5390 -0.9118 -0.9308
+ 6091TIP3    H219722   5.815   1.836   4.974 -4.2006 -0.9346 -1.5056
+ 6092TIP3   OH219723   5.812   1.575   5.956 -0.4991  0.2834  0.0193
+ 6092TIP3    H119724   5.878   1.567   5.887  0.3512 -0.8248  0.9582
+ 6092TIP3    H219725   5.798   1.486   5.987 -0.4608  0.8311  1.6667
+ 6093TIP3   OH219726   6.824   2.000   4.399  0.0474 -0.4914 -0.0928
+ 6093TIP3    H119727   6.747   2.014   4.454 -0.2582  1.6294 -1.0412
+ 6093TIP3    H219728   6.789   1.978   4.313  0.5176 -0.5123 -0.2835
+ 6094TIP3   OH219729   0.253   2.738   4.931 -0.4693 -0.1683  0.7570
+ 6094TIP3    H119730   0.237   2.742   5.025 -0.3998 -1.1611  0.8074
+ 6094TIP3    H219731   0.231   2.649   4.905  1.7958 -0.6278  0.2638
+ 6095TIP3   OH219732   5.271   1.014   6.479  0.0522 -0.2613  0.2136
+ 6095TIP3    H119733   5.221   1.054   6.407  1.5995  0.3090 -0.5566
+ 6095TIP3    H219734   5.333   0.956   6.436 -0.2423 -1.3044  1.1947
+ 6096TIP3   OH219735   4.316   1.554   4.767  0.2746  0.1532  0.0056
+ 6096TIP3    H119736   4.331   1.618   4.698  1.6673 -0.0506  0.1024
+ 6096TIP3    H219737   4.225   1.566   4.792 -0.1195  0.5123 -1.5844
+ 6097TIP3   OH219738   1.685   1.471   4.253  0.0148 -0.2535 -0.6382
+ 6097TIP3    H119739   1.621   1.543   4.259 -1.0900 -1.3160  1.1048
+ 6097TIP3    H219740   1.648   1.403   4.310  2.9452 -0.7225  0.7718
+ 6098TIP3   OH219741   5.930   1.014   1.999  0.4382 -1.3717  0.4595
+ 6098TIP3    H119742   5.933   1.103   1.965  0.5601 -1.4362  0.3011
+ 6098TIP3    H219743   6.010   1.005   2.050  0.4977 -1.4390  0.3541
+ 6099TIP3   OH219744   3.498   1.134   5.193  0.0384 -0.1733 -0.2083
+ 6099TIP3    H119745   3.508   1.060   5.133  3.1534  0.5207 -0.6349
+ 6099TIP3    H219746   3.404   1.142   5.206 -0.5947 -1.6221 -3.4043
+ 6100TIP3   OH219747   6.684   0.935   3.301  0.3177 -0.2899  0.0438
+ 6100TIP3    H119748   6.617   0.955   3.236  1.6376  2.4524 -0.5541
+ 6100TIP3    H219749   6.761   0.912   3.250  0.6538 -0.5932  0.6747
+ 6101TIP3   OH219750   0.662   5.834   3.665  0.3753 -0.4570  0.4735
+ 6101TIP3    H119751   0.700   5.883   3.592 -1.2273  1.8610  1.1379
+ 6101TIP3    H219752   0.614   5.763   3.623 -0.7591  1.0145 -0.8041
+ 6102TIP3   OH219753   2.754   1.828   4.123 -0.3472  0.8072  0.2672
+ 6102TIP3    H119754   2.779   1.919   4.105  1.4675 -0.1103 -1.9946
+ 6102TIP3    H219755   2.688   1.808   4.057 -0.2948  0.2617  0.3806
+ 6103TIP3   OH219756   4.883   0.767   3.173  0.3129 -0.0207  0.1201
+ 6103TIP3    H119757   4.920   0.816   3.099  0.1123  1.0993  0.7395
+ 6103TIP3    H219758   4.804   0.726   3.138  0.2208  0.5051 -0.3013
+ 6104TIP3   OH219759   1.228   0.946   6.295 -0.0721  0.2960 -0.5992
+ 6104TIP3    H119760   1.170   1.020   6.312 -0.6239  0.2353 -2.1524
+ 6104TIP3    H219761   1.172   0.869   6.306  0.9696 -0.0577  3.0327
+ 6105TIP3   OH219762   3.672   1.218   3.149  0.5460  0.4864  0.0522
+ 6105TIP3    H119763   3.589   1.185   3.185  2.3322 -1.0915  2.9069
+ 6105TIP3    H219764   3.671   1.311   3.172 -0.1260  0.3256  0.7223
+ 6106TIP3   OH219765   0.406   0.208   6.366 -0.1027 -0.2177  0.2150
+ 6106TIP3    H119766   0.317   0.244   6.375 -0.6500 -1.4217 -0.2858
+ 6106TIP3    H219767   0.451   0.270   6.309 -0.6039  0.4300  0.5172
+ 6107TIP3   OH219768   6.216   1.317   5.305 -0.7818 -0.9060  0.0633
+ 6107TIP3    H119769   6.306   1.292   5.326 -0.9887 -0.8131  1.0974
+ 6107TIP3    H219770   6.222   1.411   5.286 -0.8280 -0.6550  1.2271
+ 6108TIP3   OH219771   4.520   0.538   4.765 -0.1070  0.3037  0.1524
+ 6108TIP3    H119772   4.552   0.528   4.854  0.8726  0.0145 -0.2209
+ 6108TIP3    H219773   4.579   0.601   4.725 -0.5825  0.4855 -0.2744
+ 6109TIP3   OH219774   0.582   1.978   6.429 -0.0505  0.1084  0.0953
+ 6109TIP3    H119775   0.669   1.943   6.448 -0.4499 -0.4587  0.9604
+ 6109TIP3    H219776   0.527   1.941   6.498 -1.2712 -0.7257 -1.2938
+ 6110TIP3   OH219777   0.811   0.867   4.139  0.0759 -0.2875  0.5352
+ 6110TIP3    H119778   0.855   0.863   4.055 -0.1792  0.9056  0.3453
+ 6110TIP3    H219779   0.736   0.808   4.130 -0.5719  0.6672 -0.4408
+ 6111TIP3   OH219780   5.290   2.970   4.085  0.0427  0.5019  0.2003
+ 6111TIP3    H119781   5.250   2.976   4.171  0.7891  0.4957  0.5481
+ 6111TIP3    H219782   5.315   3.060   4.064  1.1070  0.2984  0.5841
+ 6112TIP3   OH219783   5.717   2.654   2.802 -0.1128 -0.1768  0.4015
+ 6112TIP3    H119784   5.813   2.662   2.799 -0.0888 -0.8004 -2.3447
+ 6112TIP3    H219785   5.686   2.728   2.750 -0.9712 -1.7413 -1.3772
+ 6113TIP3   OH219786   0.434   1.786   2.982 -0.9964  0.4414 -0.3107
+ 6113TIP3    H119787   0.408   1.857   3.041  1.4351  0.2679  1.0028
+ 6113TIP3    H219788   0.397   1.708   3.022  0.2661  0.3837  0.7890
+ 6114TIP3   OH219789   2.752   2.089   5.312 -0.1048 -0.2252  0.4383
+ 6114TIP3    H119790   2.669   2.069   5.269  0.4772 -1.0676 -0.3148
+ 6114TIP3    H219791   2.785   2.004   5.342  0.8525 -0.0043  0.0451
+ 6115TIP3   OH219792   6.734   3.689   2.776 -0.1314 -0.3351 -0.3936
+ 6115TIP3    H119793   6.664   3.623   2.774  0.6561 -1.2091  0.7133
+ 6115TIP3    H219794   6.706   3.751   2.843  0.1355 -0.6554  0.0114
+ 6116TIP3   OH219795   2.845   4.678   4.161 -0.2429 -0.4337 -0.2486
+ 6116TIP3    H119796   2.882   4.761   4.192 -2.0688  0.0739  0.6334
+ 6116TIP3    H219797   2.920   4.619   4.156  1.2129  1.4385 -1.5682
+ 6117TIP3   OH219798   0.560   1.202   3.411 -0.0954  0.0927  0.0157
+ 6117TIP3    H119799   0.488   1.233   3.356 -1.2723 -1.8135  0.4421
+ 6117TIP3    H219800   0.571   1.272   3.476 -1.1911  0.6684 -0.3919
+ 6118TIP3   OH219801   2.257   3.017   5.329 -0.2363 -0.2941 -0.0986
+ 6118TIP3    H119802   2.263   2.956   5.256 -1.4905 -0.7637  0.1865
+ 6118TIP3    H219803   2.348   3.033   5.354  0.1745 -0.7022 -1.2774
+ 6119TIP3   OH219804   0.144   5.709   5.627  0.6358 -0.5601 -0.5915
+ 6119TIP3    H119805   0.059   5.743   5.656  0.8634 -0.5814  0.0847
+ 6119TIP3    H219806   0.195   5.697   5.707  0.5114 -2.6122 -0.7705
+ 6120TIP3   OH219807   6.238   2.052   5.278 -0.1049 -0.1479  0.2430
+ 6120TIP3    H119808   6.148   2.059   5.309 -0.8324  1.2026 -2.0208
+ 6120TIP3    H219809   6.232   2.001   5.197  0.9151  1.1656 -0.6947
+ 6121TIP3   OH219810   0.902   2.131   3.644  0.4882 -0.8235  0.0854
+ 6121TIP3    H119811   0.990   2.102   3.618  0.5113 -1.1451  0.5117
+ 6121TIP3    H219812   0.852   2.049   3.653  0.3234 -0.6819  0.4715
+ 6122TIP3   OH219813   6.765   2.793   6.658  0.0430  0.1073 -0.0459
+ 6122TIP3    H119814   6.809   2.800   6.573  0.0630 -0.1404 -0.0583
+ 6122TIP3    H219815   6.787   2.874   6.704 -2.9960  1.9566 -1.6818
+ 6123TIP3   OH219816   5.977   3.203   3.426  0.1181 -0.1352  0.5871
+ 6123TIP3    H119817   5.978   3.191   3.331  2.5188 -1.1027  0.7074
+ 6123TIP3    H219818   5.988   3.298   3.437  0.7838 -0.1232 -0.0985
+ 6124TIP3   OH219819   1.776   1.882   5.079 -0.4939 -0.8092  0.1390
+ 6124TIP3    H119820   1.815   1.804   5.119 -0.6667 -0.7838  0.3573
+ 6124TIP3    H219821   1.682   1.866   5.084 -0.5198 -0.7296 -0.1064
+ 6125TIP3   OH219822   6.818   2.939   5.622  0.0657 -0.4675 -0.0639
+ 6125TIP3    H119823   6.765   2.941   5.701 -0.7578 -2.4067 -0.5395
+ 6125TIP3    H219824   6.775   2.874   5.566  2.4722 -1.4996 -0.7788
+ 6126TIP3   OH219825   0.075   1.165   4.706  0.5740  0.0429  0.5920
+ 6126TIP3    H119826   0.066   1.194   4.615 -0.0429  0.4128  0.7702
+ 6126TIP3    H219827   0.041   1.076   4.706  1.3505 -0.2574  0.2902
+ 6127TIP3   OH219828   1.132   1.876   5.788 -0.2635 -0.2061  0.2964
+ 6127TIP3    H119829   1.055   1.819   5.789 -0.5892  0.2276  0.1986
+ 6127TIP3    H219830   1.151   1.893   5.880 -0.7451  0.3072  0.2972
+ 6128TIP3   OH219831   2.582   1.110   3.279 -0.0508 -0.5087 -0.0730
+ 6128TIP3    H119832   2.586   1.028   3.229  2.0741  0.3652 -1.4131
+ 6128TIP3    H219833   2.613   1.086   3.366 -1.1622 -1.4838  0.0738
+ 6129TIP3   OH219834   1.136   6.703   1.692  0.4708  0.7126  0.4976
+ 6129TIP3    H119835   1.139   6.696   1.787  1.5587 -0.5279  0.3724
+ 6129TIP3    H219836   1.224   6.680   1.663  0.6532  2.8163 -0.7157
+ 6130TIP3   OH219837   6.392   2.862   3.916 -0.4229  0.2725  0.2724
+ 6130TIP3    H119838   6.486   2.878   3.927 -0.9306  1.7690  3.0038
+ 6130TIP3    H219839   6.356   2.947   3.892 -1.0694 -0.3497 -0.9806
+ 6131TIP3   OH219840   5.260   3.409   4.070  0.1127 -0.5147 -0.3786
+ 6131TIP3    H119841   5.297   3.364   4.146 -0.1733  0.6614  0.4652
+ 6131TIP3    H219842   5.273   3.502   4.088 -0.0392 -0.2189 -1.7347
+ 6132TIP3   OH219843   0.137   3.679   2.350 -0.3487  0.3388  0.3646
+ 6132TIP3    H119844   0.178   3.713   2.270  0.7117  0.2617  0.8638
+ 6132TIP3    H219845   0.087   3.604   2.320 -0.2831  0.5471 -0.2954
+ 6133TIP3   OH219846   1.650   1.469   5.855 -0.0548 -0.4505  0.9037
+ 6133TIP3    H119847   1.713   1.421   5.802 -1.6417 -2.1535  0.5198
+ 6133TIP3    H219848   1.696   1.486   5.937  1.3828 -0.4080  0.0978
+ 6134TIP3   OH219849   0.621   1.100   5.835 -0.0674 -0.3824 -0.2460
+ 6134TIP3    H119850   0.589   1.134   5.919 -1.8824 -1.3183 -0.5446
+ 6134TIP3    H219851   0.620   1.175   5.777 -1.3942 -0.3121 -0.1478
+ 6135TIP3   OH219852   1.090   3.866   5.067 -0.3391 -0.2240 -0.3728
+ 6135TIP3    H119853   1.122   3.785   5.107 -1.5877  0.0014  1.1418
+ 6135TIP3    H219854   1.165   3.900   5.019  1.4870 -0.1270  2.4402
+ 6136TIP3   OH219855   0.825   6.281   1.498 -0.0869  0.5661 -0.3258
+ 6136TIP3    H119856   0.919   6.290   1.513 -0.3054  0.2161  1.3931
+ 6136TIP3    H219857   0.787   6.357   1.542 -0.5882  0.9136 -1.3511
+ 6137TIP3   OH219858   1.054   4.924   5.043 -0.0361 -0.0413 -0.1686
+ 6137TIP3    H119859   1.128   4.889   4.994 -0.0007 -0.4758  0.1845
+ 6137TIP3    H219860   1.023   4.998   4.992 -1.4279 -1.8739 -2.0469
+ 6138TIP3   OH219861   1.117   2.079   2.772  0.0305 -0.1647 -0.4775
+ 6138TIP3    H119862   1.069   1.997   2.757  0.6975 -0.6746  0.1711
+ 6138TIP3    H219863   1.209   2.057   2.755  0.0874  0.7434 -1.4435
+ 6139TIP3   OH219864   0.306   1.770   1.967  0.6100 -0.2756  0.1532
+ 6139TIP3    H119865   0.279   1.823   1.892  0.6925  0.3499  0.5606
+ 6139TIP3    H219866   0.331   1.686   1.930  2.6764  0.7200 -0.7648
+ 6140TIP3   OH219867   3.209   3.628   4.918 -0.6384  0.2301 -0.4663
+ 6140TIP3    H119868   3.123   3.657   4.886 -0.5623  0.1807 -0.7219
+ 6140TIP3    H219869   3.191   3.552   4.973 -0.6419 -0.6581 -1.6636
+ 6141TIP3   OH219870   1.099   2.990   1.688 -0.0146 -0.1493 -0.3117
+ 6141TIP3    H119871   1.174   2.938   1.719  0.7897  1.6566  0.8744
+ 6141TIP3    H219872   1.080   3.049   1.761 -2.4072 -0.3774 -0.7359
+ 6142TIP3   OH219873   2.627   2.020   4.708 -0.1496 -0.4591 -0.8981
+ 6142TIP3    H119874   2.557   1.961   4.678  0.0797 -0.8532 -0.6594
+ 6142TIP3    H219875   2.630   2.008   4.803  1.2616 -1.5825 -1.0677
+ 6143TIP3   OH219876   1.126   1.871   3.998 -0.0020 -0.2611 -0.7223
+ 6143TIP3    H119877   1.088   1.807   3.938  0.3246 -0.8556 -0.3083
+ 6143TIP3    H219878   1.056   1.891   4.060  0.4170 -1.5476  0.1942
+ 6144TIP3   OH219879   0.794   2.943   4.055  0.9201  0.0194 -0.1648
+ 6144TIP3    H119880   0.750   2.987   4.128 -0.6533  1.8192 -2.1401
+ 6144TIP3    H219881   0.822   2.859   4.091 -1.7371 -0.0445  1.9079
+ 6145TIP3   OH219882   6.161   3.027   3.697  0.3316  0.3299 -0.9251
+ 6145TIP3    H119883   6.079   3.028   3.747  0.3092  0.7692 -0.9680
+ 6145TIP3    H219884   6.157   2.946   3.647  0.3291 -0.0890 -0.2580
+ 6146TIP3   OH219885   1.275   4.351   5.335  0.0421  0.3230 -0.1748
+ 6146TIP3    H119886   1.291   4.277   5.275 -0.1741 -0.3337  0.5688
+ 6146TIP3    H219887   1.203   4.399   5.294  1.8538  1.5853 -1.9899
+ 6147TIP3   OH219888   0.266   3.787   5.290  0.0039  0.1658  0.0218
+ 6147TIP3    H119889   0.227   3.859   5.241 -0.2263 -0.9492 -1.4556
+ 6147TIP3    H219890   0.351   3.773   5.249 -0.5333 -1.3261 -0.6185
+ 6148TIP3   OH219891   4.982   2.905   4.044 -0.1079  0.4002 -0.6100
+ 6148TIP3    H119892   4.942   2.991   4.030  1.5053  1.3600  0.4540
+ 6148TIP3    H219893   5.002   2.902   4.138 -0.9826 -1.5246 -0.4560
+ 6149TIP3   OH219894   6.282   3.689   3.996  0.1753  0.4088  0.1148
+ 6149TIP3    H119895   6.346   3.626   3.963  0.5886  1.7009 -1.6209
+ 6149TIP3    H219896   6.335   3.761   4.029 -0.3407  0.7455  0.2032
+ 6150TIP3   OH219897   0.827   1.970   5.099  0.0169  0.2482  0.3669
+ 6150TIP3    H119898   0.790   2.056   5.079 -1.3288  0.3575  3.0865
+ 6150TIP3    H219899   0.751   1.912   5.103  0.8190 -0.8760 -0.3918
+ 6151TIP3   OH219900   1.173   0.818   3.703  0.0249 -0.1330  0.5079
+ 6151TIP3    H119901   1.234   0.776   3.764  0.3328 -0.9083 -0.3265
+ 6151TIP3    H219902   1.216   0.901   3.680  0.5676 -0.4881  0.2394
+ 6152TIP3   OH219903   0.794   1.411   3.878  0.5348 -0.9127 -0.7935
+ 6152TIP3    H119904   0.792   1.477   3.809  1.7618 -0.3565 -0.2959
+ 6152TIP3    H219905   0.744   1.337   3.842 -0.7411  0.2186 -1.3940
+ 6153TIP3   OH219906   1.182   1.927   4.569  0.2182 -0.3641 -0.4128
+ 6153TIP3    H119907   1.167   2.019   4.548 -0.8889 -1.4178 -4.7895
+ 6153TIP3    H219908   1.127   1.910   4.645 -0.9507  2.1546 -0.6408
+ 6154TIP3   OH219909   5.120   5.750   4.438 -0.0397 -0.1815  0.4688
+ 6154TIP3    H119910   5.106   5.840   4.408  0.0650 -0.3858 -0.2020
+ 6154TIP3    H219911   5.175   5.759   4.516  1.7710  0.2253 -0.8193
+ 6155TIP3   OH219912   0.148   1.700   4.948 -0.6162 -0.1709 -0.5264
+ 6155TIP3    H119913   0.124   1.749   5.027 -1.4813  1.0425 -1.5133
+ 6155TIP3    H219914   0.227   1.652   4.973 -0.4582  0.7599  0.8590
+ 6156TIP3   OH219915   1.538   3.321   4.200 -0.8046 -0.1760 -0.4614
+ 6156TIP3    H119916   1.510   3.238   4.238  0.3338 -0.1626  0.4402
+ 6156TIP3    H219917   1.547   3.304   4.107  0.3320 -1.3325 -0.1533
+ 6157TIP3   OH219918   1.879   2.266   3.226 -0.2824  0.5745 -0.7264
+ 6157TIP3    H119919   1.904   2.213   3.302 -1.4350 -0.1238 -0.8083
+ 6157TIP3    H219920   1.941   2.242   3.157 -1.9878 -2.2178 -1.3822
+ 6158TIP3   OH219921   1.187   3.384   2.684 -0.4248 -0.1351  0.0534
+ 6158TIP3    H119922   1.105   3.351   2.723  0.1517 -0.7660  0.7494
+ 6158TIP3    H219923   1.196   3.335   2.602 -0.1785 -0.8618  0.5140
+ 6159TIP3   OH219924   6.354   4.420   4.789 -0.0573  0.3067 -0.2742
+ 6159TIP3    H119925   6.373   4.347   4.848  1.4731  0.2154 -0.8591
+ 6159TIP3    H219926   6.418   4.487   4.812  0.4735  0.3186 -1.7230
+ 6160TIP3   OH219927   0.447   3.062   3.536  0.0808 -0.0665 -0.1619
+ 6160TIP3    H119928   0.496   2.980   3.543  0.6571  0.2495 -0.5217
+ 6160TIP3    H219929   0.392   3.064   3.615  1.9995  0.4841  1.2000
+ 6161TIP3   OH219930   2.212   1.844   3.499 -0.0650  0.1610 -0.0621
+ 6161TIP3    H119931   2.176   1.876   3.417  0.0492 -0.0093 -0.1780
+ 6161TIP3    H219932   2.281   1.783   3.473  1.1743  1.4444  0.1428
+ 6162TIP3   OH219933   5.386   6.902   0.059  0.4819 -0.3930 -0.1471
+ 6162TIP3    H119934   5.375   6.866   0.147 -1.2650 -0.3307 -0.3283
+ 6162TIP3    H219935   5.298   6.906   0.023  0.7825  2.7791 -0.6442
+ 6163TIP3   OH219936   1.333   3.151   4.473  0.2314 -0.7596  0.4170
+ 6163TIP3    H119937   1.401   3.096   4.435  0.7331  0.0443  0.1198
+ 6163TIP3    H219938   1.301   3.102   4.548  1.1470 -1.1565  0.5563
+ 6164TIP3   OH219939   5.374   6.231   5.077 -0.3710 -0.1275  0.1849
+ 6164TIP3    H119940   5.375   6.221   5.172  2.5152 -1.1480  0.1107
+ 6164TIP3    H219941   5.345   6.320   5.062 -1.8812 -0.2897  1.9734
+ 6165TIP3   OH219942   1.051   1.434   4.720  0.0512 -0.0397 -0.2903
+ 6165TIP3    H119943   1.008   1.514   4.692 -0.0034 -0.6127 -1.8741
+ 6165TIP3    H219944   1.035   1.372   4.649  1.1754 -1.0749  0.3438
+ 6166TIP3   OH219945   1.287   2.854   3.266 -0.9328 -0.3787  0.3558
+ 6166TIP3    H119946   1.315   2.946   3.270 -2.0568 -0.0178  0.4052
+ 6166TIP3    H219947   1.195   2.859   3.237 -1.1292 -1.4652  0.7673
+ 6167TIP3   OH219948   2.209   6.404   4.413 -0.4528  0.3249  0.3158
+ 6167TIP3    H119949   2.262   6.452   4.348  1.0032  1.0999  2.0307
+ 6167TIP3    H219950   2.142   6.466   4.440 -0.4221  0.3601  0.3103
+ 6168TIP3   OH219951   0.452   4.456   3.717  0.5271  0.3235 -0.7752
+ 6168TIP3    H119952   0.361   4.425   3.713  1.2368 -2.0425  0.3435
+ 6168TIP3    H219953   0.499   4.399   3.657  1.3252  1.3624 -1.1448
+ 6169TIP3   OH219954   1.210   2.618   2.675 -0.0867 -0.5547  0.2582
+ 6169TIP3    H119955   1.298   2.655   2.674  0.0982 -0.9514  1.3808
+ 6169TIP3    H219956   1.221   2.530   2.639 -0.4415  0.2683 -1.9236
+ 6170TIP3   OH219957   0.893   1.700   5.700  0.6584 -0.4000 -0.4362
+ 6170TIP3    H119958   0.903   1.643   5.624  1.7916 -1.2095  0.3015
+ 6170TIP3    H219959   0.807   1.679   5.736 -0.4956  0.9983 -2.2995
+ 6171TIP3   OH219960   6.001   3.727   3.059  0.3669  0.4311 -0.2759
+ 6171TIP3    H119961   6.003   3.709   2.965  2.3598 -0.7862 -0.0349
+ 6171TIP3    H219962   5.982   3.820   3.066 -3.1788 -0.1082 -1.7833
+ 6172TIP3   OH219963   0.008   0.786   6.281  0.5097 -0.3404 -0.2942
+ 6172TIP3    H119964  -0.027   0.861   6.233 -0.7378 -0.8194 -0.1577
+ 6172TIP3    H219965   0.103   0.794   6.273  0.3410  0.2328 -1.8341
+ 6173TIP3   OH219966   6.147   1.913   4.302  0.1355 -0.3253  0.1268
+ 6173TIP3    H119967   6.208   1.985   4.284 -1.8950  1.0645 -1.4823
+ 6173TIP3    H219968   6.062   1.956   4.307 -1.1175 -2.6235 -0.8784
+ 6174TIP3   OH219969   6.277   1.384   6.568 -0.8052  0.3039  0.0616
+ 6174TIP3    H119970   6.341   1.335   6.620  0.8784  1.5847 -0.7195
+ 6174TIP3    H219971   6.283   1.473   6.603 -1.5285  0.6227 -0.6304
+ 6175TIP3   OH219972   0.292   2.276   3.313 -0.2903  0.5300 -0.3174
+ 6175TIP3    H119973   0.343   2.354   3.334 -2.1389  1.5225  0.6564
+ 6175TIP3    H219974   0.239   2.302   3.238 -1.0707  0.2956  0.1475
+ 6176TIP3   OH219975   0.351   1.833   3.406 -0.3548  0.1414 -0.0398
+ 6176TIP3    H119976   0.288   1.853   3.337 -0.5154  0.8432  0.3015
+ 6176TIP3    H219977   0.409   1.909   3.408  0.6028 -0.5747 -0.4618
+ 6177TIP3   OH219978   6.753   6.126   5.226  0.0684 -0.4613  0.4707
+ 6177TIP3    H119979   6.693   6.086   5.288 -0.9903 -0.8791 -0.7860
+ 6177TIP3    H219980   6.841   6.103   5.258 -0.3905  0.8078  2.7410
+ 6178TIP3   OH219981   6.002   0.916   6.065 -0.3391  0.1666  0.4996
+ 6178TIP3    H119982   6.083   0.930   6.015 -0.6454  1.0339  0.2516
+ 6178TIP3    H219983   5.974   0.828   6.039 -1.1060  1.0402 -1.7196
+ 6179TIP3   OH219984   1.596   2.512   4.399  0.1053 -0.0693  0.3268
+ 6179TIP3    H119985   1.651   2.537   4.325  1.0373 -1.3415  0.5604
+ 6179TIP3    H219986   1.517   2.475   4.360  0.8143 -1.2138 -0.0548
+ 6180TIP3   OH219987   2.037   0.587   3.799  0.3580 -0.2114 -0.0660
+ 6180TIP3    H119988   1.963   0.606   3.856  0.2316  0.5658 -0.4716
+ 6180TIP3    H219989   2.071   0.674   3.775  1.3099 -0.5530  0.0063
+ 6181TIP3   OH219990   5.746   1.717   2.261  0.1176  0.2741 -0.0529
+ 6181TIP3    H119991   5.693   1.706   2.340  0.9432 -1.8659  0.2227
+ 6181TIP3    H219992   5.836   1.721   2.292  0.3794  0.4210 -0.8159
+ 6182TIP3   OH219993   1.240   4.806   5.545 -0.1893  0.7455  0.5636
+ 6182TIP3    H119994   1.275   4.721   5.571  0.0571  0.5028 -0.5550
+ 6182TIP3    H219995   1.255   4.811   5.451 -1.7637  1.2913  0.3219
+ 6183TIP3   OH219996   1.322   1.431   4.744 -0.5281 -0.2713  0.7039
+ 6183TIP3    H119997   1.310   1.363   4.810 -1.0547  0.4537  1.3570
+ 6183TIP3    H219998   1.233   1.457   4.719 -0.3584  1.5325  1.8725
+ 6184TIP3   OH219999   0.183   3.520   4.533  0.4525 -0.3968  0.1311
+ 6184TIP3    H120000   0.183   3.588   4.600 -0.6142  0.7176 -0.9832
+ 6184TIP3    H220001   0.165   3.439   4.581  1.5586  0.1174  1.4387
+ 6185TIP3   OH220002   4.743   1.658   2.050 -0.7960 -0.4850  0.3009
+ 6185TIP3    H120003   4.815   1.609   2.091 -1.0448 -1.5473 -0.5163
+ 6185TIP3    H220004   4.703   1.706   2.122  0.7385  0.1188  0.7672
+ 6186TIP3   OH220005   0.776   1.086   2.642 -0.3909  0.1309 -0.9216
+ 6186TIP3    H120006   0.725   1.011   2.611  1.0987 -0.8412 -1.0494
+ 6186TIP3    H220007   0.776   1.077   2.737  0.0281 -0.1983 -0.9507
+ 6187TIP3   OH220008   1.031   4.814   3.711 -0.3568 -0.0002 -0.5479
+ 6187TIP3    H120009   0.986   4.739   3.671  0.1412 -0.9225  0.6140
+ 6187TIP3    H220010   0.960   4.869   3.744 -0.6912 -0.5667 -0.3155
+ 6188TIP3   OH220011   3.780   1.803   5.183  0.3104  0.0533  1.0640
+ 6188TIP3    H120012   3.759   1.889   5.145  2.3466  0.1514  0.1047
+ 6188TIP3    H220013   3.694   1.762   5.196 -0.5955  1.3622 -0.5170
+ 6189TIP3   OH220014   6.516   4.477   4.047 -0.1922 -0.3204 -0.0109
+ 6189TIP3    H120015   6.528   4.438   3.960  3.6521  1.7894 -0.5664
+ 6189TIP3    H220016   6.584   4.437   4.100 -0.4986  0.7228  1.1816
+ 6190TIP3   OH220017   1.984   4.461   6.306 -0.3093  0.6654  0.1265
+ 6190TIP3    H120018   2.046   4.524   6.342 -0.0897 -0.3010  1.4758
+ 6190TIP3    H220019   1.948   4.415   6.382  1.8035 -2.9700 -0.9314
+ 6191TIP3   OH220020   5.168   3.837   4.301  0.3644  0.2118 -0.0851
+ 6191TIP3    H120021   5.224   3.901   4.258  2.0280 -0.0374  1.6321
+ 6191TIP3    H220022   5.144   3.878   4.384 -0.3614 -0.5114  0.0780
+ 6192TIP3   OH220023   1.827   2.819   4.755 -0.8329 -0.1110  0.4984
+ 6192TIP3    H120024   1.860   2.740   4.798  0.3889  0.3776  0.4815
+ 6192TIP3    H220025   1.820   2.794   4.663  3.1988  0.8862 -0.1765
+ 6193TIP3   OH220026   6.806   2.475   6.099  0.2115 -0.6849  0.0283
+ 6193TIP3    H120027   6.715   2.476   6.069  0.2742 -2.6312 -0.3283
+ 6193TIP3    H220028   6.801   2.461   6.193  0.0812  2.7447  0.5829
+ 6194TIP3   OH220029   1.750   3.848   5.357 -0.2024 -0.5812 -0.0512
+ 6194TIP3    H120030   1.820   3.787   5.334 -1.3100 -2.5313  1.6245
+ 6194TIP3    H220031   1.759   3.862   5.451  0.2620  2.1888 -0.4569
+ 6195TIP3   OH220032   2.027   2.176   4.314  0.0840 -0.0398 -0.2219
+ 6195TIP3    H120033   2.035   2.089   4.276  0.9801 -0.1173  0.1370
+ 6195TIP3    H220034   2.113   2.194   4.351 -0.3455  0.6531  0.4469
+ 6196TIP3   OH220035   2.508   1.819   3.639 -0.1614 -0.1269  0.3602
+ 6196TIP3    H120036   2.522   1.733   3.598  1.0710  0.4819 -0.5112
+ 6196TIP3    H220037   2.418   1.815   3.672  0.1318 -2.0180  0.9801
+ 6197TIP3   OH220038   1.451   2.775   4.363  0.3102  0.1920  0.1293
+ 6197TIP3    H120039   1.442   2.741   4.452 -3.9851  1.3002  0.2360
+ 6197TIP3    H220040   1.472   2.699   4.309 -1.1403 -1.2451  1.5516
+ 6198TIP3   OH220041   3.071   1.226   5.341  0.1892 -0.0122 -0.3827
+ 6198TIP3    H120042   3.151   1.273   5.317  0.5240 -1.4671 -2.2609
+ 6198TIP3    H220043   3.007   1.253   5.275 -0.1609 -0.6906 -0.3227
+ 6199TIP3   OH220044   5.643   3.762   5.529  0.0869 -0.7864  0.3305
+ 6199TIP3    H120045   5.685   3.847   5.514 -2.1287  0.4421  0.8251
+ 6199TIP3    H220046   5.709   3.698   5.504  1.6495  1.0868 -0.4998
+ 6200TIP3   OH220047   0.447   0.961   2.919 -0.7781 -0.3919 -0.2784
+ 6200TIP3    H120048   0.536   0.969   2.952 -0.9782  1.3916 -0.1127
+ 6200TIP3    H220049   0.455   0.973   2.824 -0.4985 -3.1821 -0.6538
+ 6201TIP3   OH220050   0.753   2.474   2.189 -0.2768  0.1842 -0.1182
+ 6201TIP3    H120051   0.794   2.539   2.246 -0.1175  0.8538 -0.9963
+ 6201TIP3    H220052   0.761   2.392   2.238  0.5670  0.6141  0.4808
+ 6202TIP3   OH220053   3.279   6.347   4.806 -0.4417  0.0390  0.1017
+ 6202TIP3    H120054   3.286   6.271   4.863  3.1851  0.3744  0.2335
+ 6202TIP3    H220055   3.292   6.422   4.864  0.1182  0.5430 -0.6621
+ 6203TIP3   OH220056   1.060   4.230   3.272  0.4570  0.1226 -0.3306
+ 6203TIP3    H120057   1.093   4.294   3.335 -0.7557 -1.3147  1.7944
+ 6203TIP3    H220058   1.112   4.151   3.287 -0.7416 -0.6551 -0.1747
+ 6204TIP3   OH220059   0.152   4.059   5.176 -0.2662  0.1490 -0.5413
+ 6204TIP3    H120060   0.108   4.049   5.091 -0.3253  2.4507 -0.8171
+ 6204TIP3    H220061   0.225   4.118   5.158  0.5660 -0.4533  0.7501
+ 6205TIP3   OH220062   3.412   2.938   5.692 -0.4372  0.2719 -0.1125
+ 6205TIP3    H120063   3.467   2.886   5.633 -1.8467  0.3779 -1.5376
+ 6205TIP3    H220064   3.452   3.025   5.692 -0.6540  0.3722 -1.2141
+ 6206TIP3   OH220065   2.328   1.862   4.484 -0.6188  0.0454 -0.2560
+ 6206TIP3    H120066   2.372   1.851   4.399 -2.2059 -0.0704 -1.0854
+ 6206TIP3    H220067   2.237   1.841   4.466 -1.2678  1.6077  1.1423
+ 6207TIP3   OH220068   6.720   3.802   4.322 -0.9590 -0.3742  0.5009
+ 6207TIP3    H120069   6.787   3.770   4.261 -2.0163 -0.1501 -0.8086
+ 6207TIP3    H220070   6.711   3.732   4.387 -0.3929 -0.9796 -0.0654
+ 6208TIP3   OH220071   6.683   2.030   2.841  0.3914  0.1483  0.0470
+ 6208TIP3    H120072   6.735   2.110   2.847  0.2886  0.2370 -0.2611
+ 6208TIP3    H220073   6.685   2.006   2.748 -2.4361  1.7051 -0.4556
+ 6209TIP3   OH220074   4.059   1.372   4.002 -0.0723  0.6217 -0.5196
+ 6209TIP3    H120075   4.036   1.385   3.910  0.4411 -1.3442 -0.9586
+ 6209TIP3    H220076   4.143   1.325   3.999 -0.3360  0.0290  0.9367
+ 6210TIP3   OH220077   5.566   2.305   3.837 -0.0395 -0.0776  0.1489
+ 6210TIP3    H120078   5.560   2.232   3.898  0.1788  0.1054  0.3922
+ 6210TIP3    H220079   5.650   2.347   3.857  0.5045 -0.6172 -0.9560
+ 6211TIP3   OH220080   2.889   1.757   3.412  0.4250  0.3892 -0.4270
+ 6211TIP3    H120081   2.929   1.755   3.499  1.0219 -3.6408 -0.6987
+ 6211TIP3    H220082   2.796   1.771   3.429  0.8534  2.0428  0.6822
+ 6212TIP3   OH220083   1.461   1.381   3.733  0.4420 -0.4392  0.4115
+ 6212TIP3    H120084   1.496   1.391   3.822 -1.5472 -2.3623  1.4751
+ 6212TIP3    H220085   1.369   1.408   3.741  0.7229  1.2215 -1.5309
+ 6213TIP3   OH220086   0.274   0.273   2.861 -0.1443 -0.5507  0.0303
+ 6213TIP3    H120087   0.310   0.330   2.930 -0.5423  0.0589 -0.2597
+ 6213TIP3    H220088   0.342   0.207   2.848  0.3657 -0.0958  0.3213
+ 6214TIP3   OH220089   6.454   2.963   4.429  0.5685 -0.4408 -0.2034
+ 6214TIP3    H120090   6.396   2.905   4.479  0.6607 -0.5933 -0.2717
+ 6214TIP3    H220091   6.540   2.952   4.470  0.0983  1.4988  1.3456
+ 6215TIP3   OH220092   0.133   0.388   0.184  0.3947 -0.1240  0.3543
+ 6215TIP3    H120093   0.138   0.293   0.184  0.0491 -0.1786  2.6445
+ 6215TIP3    H220094   0.147   0.413   0.276 -1.2709  1.9259  0.1075
+ 6216TIP3   OH220095   0.983   1.357   1.541  0.3347  0.4218  0.4321
+ 6216TIP3    H120096   0.917   1.381   1.606 -0.6033  1.9739 -1.0446
+ 6216TIP3    H220097   1.009   1.440   1.501 -0.6486 -0.6645 -2.6060
+ 6217TIP3   OH220098   5.334   6.106   2.898  0.1420 -0.5837  0.4080
+ 6217TIP3    H120099   5.324   6.073   2.809  0.0667  0.4330  0.0445
+ 6217TIP3    H220100   5.245   6.107   2.933  0.0666 -0.1526  0.2031
+ 6218TIP3   OH220101   0.278   0.862   1.322 -0.2247  0.6806  0.5664
+ 6218TIP3    H120102   0.367   0.854   1.288 -1.1060  1.3807 -2.0314
+ 6218TIP3    H220103   0.285   0.925   1.394  1.0359  2.4901 -1.0829
+ 6219TIP3   OH220104   2.109   3.162   4.685 -0.4416 -0.0543 -0.0056
+ 6219TIP3    H120105   2.153   3.181   4.602 -0.4602 -1.0489 -0.2424
+ 6219TIP3    H220106   2.059   3.242   4.703 -2.3791 -0.7318 -2.1908
+ 6220TIP3   OH220107   2.114   2.749   6.796  0.1157  0.1263 -0.3191
+ 6220TIP3    H120108   2.097   2.835   6.836 -1.0493  1.5805 -3.7345
+ 6220TIP3    H220109   2.208   2.747   6.782  0.1517  0.8076 -0.1880
+ 6221TIP3   OH220110   0.235   4.414   3.027  0.7402  0.0802 -0.4073
+ 6221TIP3    H120111   0.285   4.337   2.999  0.9405  0.3044 -0.6716
+ 6221TIP3    H220112   0.193   4.445   2.947  1.2116  0.6495 -0.4396
+ 6222TIP3   OH220113   0.445   0.551   5.604 -0.1693 -0.5654 -0.2830
+ 6222TIP3    H120114   0.372   0.591   5.651  1.1014  1.1469  0.2470
+ 6222TIP3    H220115   0.461   0.610   5.530  1.1733 -0.5072  0.0402
+ 6223TIP3   OH220116   1.539   3.035   4.330 -0.1834  0.1815 -0.6754
+ 6223TIP3    H120117   1.488   2.954   4.333  0.7620 -0.3817  3.2879
+ 6223TIP3    H220118   1.630   3.007   4.340  0.4625  1.5455 -2.4115
+ 6224TIP3   OH220119   1.434   0.555   3.987 -0.4597 -0.5090 -0.2361
+ 6224TIP3    H120120   1.347   0.536   4.022 -0.7440 -0.3654 -0.8647
+ 6224TIP3    H220121   1.461   0.635   4.032  0.7743 -2.3712  2.4891
+ 6225TIP3   OH220122   6.698   4.830   4.565 -0.6897  0.5344  0.3222
+ 6225TIP3    H120123   6.760   4.900   4.546  1.3830 -1.4988 -0.6653
+ 6225TIP3    H220124   6.652   4.859   4.643  1.7058  1.9850  1.2505
+ 6226TIP3   OH220125   5.070   3.921   5.506  0.2165 -0.1695  0.2935
+ 6226TIP3    H120126   5.163   3.936   5.488  0.1865 -0.5885 -0.2510
+ 6226TIP3    H220127   5.054   3.962   5.591  0.6577  0.8050 -0.0974
+ 6227TIP3   OH220128   0.302   2.088   6.020  0.1184 -0.2261 -0.2353
+ 6227TIP3    H120129   0.271   2.038   5.944 -1.4813 -0.6743  0.6812
+ 6227TIP3    H220130   0.229   2.146   6.042  0.0626 -1.0004  1.7212
+ 6228TIP3   OH220131   6.325   5.360   3.478  0.7637  0.0369 -0.2787
+ 6228TIP3    H120132   6.316   5.449   3.511 -0.7728 -0.6401  1.2250
+ 6228TIP3    H220133   6.236   5.326   3.476  1.2091 -1.0853 -1.9598
+ 6229TIP3   OH220134   0.773   3.878   5.132 -0.5061  0.3450  0.2465
+ 6229TIP3    H120135   0.824   3.941   5.184  0.6058 -1.2998  1.1896
+ 6229TIP3    H220136   0.823   3.868   5.051  1.3497 -2.1716  1.6632
+ 6230TIP3   OH220137   1.158   2.618   5.127  0.0719 -0.6374  0.6151
+ 6230TIP3    H120138   1.214   2.618   5.050  0.3720  0.3979  0.8230
+ 6230TIP3    H220139   1.197   2.552   5.185 -0.2174 -1.4902 -0.1549
+ 6231TIP3   OH220140   6.720   3.455   2.471 -0.2182  0.8958 -0.3676
+ 6231TIP3    H120141   6.809   3.430   2.497 -0.5501  1.1182  1.0266
+ 6231TIP3    H220142   6.718   3.550   2.482  0.0012  1.1586 -2.4101
+ 6232TIP3   OH220143   1.094   2.563   3.543 -0.0967 -0.7457  0.2063
+ 6232TIP3    H120144   1.168   2.530   3.491 -1.9917 -2.0284 -1.8010
+ 6232TIP3    H220145   1.071   2.489   3.600 -0.6316 -0.8186 -0.1008
+ 6233TIP3   OH220146   1.021   4.483   3.778  0.1388  0.1484  0.3409
+ 6233TIP3    H120147   0.996   4.522   3.694 -0.6119  0.1481  0.5569
+ 6233TIP3    H220148   0.999   4.549   3.843 -1.6928 -0.8304  0.7642
+ 6234TIP3   OH220149   0.984   1.538   0.259 -0.0668  0.1495  0.0392
+ 6234TIP3    H120150   0.928   1.559   0.333 -0.4854 -1.6781  0.2674
+ 6234TIP3    H220151   1.067   1.512   0.298  0.2742  0.8441 -0.2146
+ 6235TIP3   OH220152   5.576   6.489   5.384 -0.2421  0.2642  0.0422
+ 6235TIP3    H120153   5.605   6.400   5.367 -0.4863  0.1615  0.1492
+ 6235TIP3    H220154   5.616   6.542   5.315 -0.6486 -0.0348 -0.4310
+ 6236TIP3   OH220155   6.782   1.529   3.128 -0.0937 -0.0656 -0.0849
+ 6236TIP3    H120156   6.783   1.446   3.174 -0.5537 -0.8406 -1.4445
+ 6236TIP3    H220157   6.812   1.508   3.039 -0.8226  1.0976 -0.6245
+ 6237TIP3   OH220158   2.187   0.968   4.803  0.2432 -0.1305 -0.5871
+ 6237TIP3    H120159   2.230   1.016   4.732  1.1097 -1.4263 -0.9513
+ 6237TIP3    H220160   2.238   0.991   4.881  0.5335 -0.2974 -0.7268
+ 6238TIP3   OH220161   1.149   0.961   3.381  0.6566  0.6246  0.4923
+ 6238TIP3    H120162   1.219   1.023   3.403  1.5711  0.0090 -0.6301
+ 6238TIP3    H220163   1.081   0.979   3.446  2.7134 -0.2078  2.9836
+ 6239TIP3   OH220164   0.792   3.641   4.409 -0.0759 -0.0669 -0.0110
+ 6239TIP3    H120165   0.817   3.727   4.443  0.4149 -0.1256 -0.2213
+ 6239TIP3    H220166   0.834   3.635   4.323 -0.6336 -0.2580 -0.2787
+ 6240TIP3   OH220167   2.764   2.833   4.766 -0.1658  1.2363 -0.1399
+ 6240TIP3    H120168   2.784   2.820   4.859 -0.1912  0.1852 -0.2713
+ 6240TIP3    H220169   2.835   2.788   4.720 -0.9943  0.3822 -0.6132
+ 6241TIP3   OH220170   5.732   1.266   3.545  0.4035  0.5894  0.1100
+ 6241TIP3    H120171   5.749   1.306   3.460 -0.5410  1.8158  0.4838
+ 6241TIP3    H220172   5.684   1.333   3.594  1.4471  0.1123  1.8100
+ 6242TIP3   OH220173   0.144   6.059  -0.020 -0.0002  0.2142  0.0328
+ 6242TIP3    H120174   0.059   6.064   0.024  0.0368  0.5931  0.0610
+ 6242TIP3    H220175   0.187   6.142   0.001  1.6030 -1.1827  2.4964
+ 6243TIP3   OH220176   1.221   1.700   5.239  0.5307  0.7872 -0.2306
+ 6243TIP3    H120177   1.135   1.713   5.198  0.6371  0.2273 -0.6418
+ 6243TIP3    H220178   1.201   1.690   5.332  0.0491 -0.3239 -0.4449
+ 6244TIP3   OH220179   0.185   4.833   6.235 -0.0478 -0.0401  0.3929
+ 6244TIP3    H120180   0.241   4.852   6.160 -0.2659 -0.3386  0.1534
+ 6244TIP3    H220181   0.110   4.787   6.198  0.5882 -1.6015  1.0113
+ 6245TIP3   OH220182   6.837   4.302   5.393  0.2649  0.1700  0.0535
+ 6245TIP3    H120183   6.910   4.354   5.360  0.9457 -0.2310  0.8808
+ 6245TIP3    H220184   6.879   4.231   5.442 -0.6387 -1.3848 -1.3688
+ 6246TIP3   OH220185   0.163   1.888   4.373  0.5985 -0.1103 -0.2083
+ 6246TIP3    H120186   0.229   1.958   4.377  0.6958 -0.1569 -0.9416
+ 6246TIP3    H220187   0.079   1.934   4.384  0.7022  0.0449 -0.0639
+ 6247TIP3   OH220188   0.381   0.898   0.325  0.3043  0.0384 -0.6069
+ 6247TIP3    H120189   0.357   0.840   0.252 -0.5700 -0.2483 -0.0891
+ 6247TIP3    H220190   0.477   0.904   0.319  0.3890 -1.3021 -0.7882
+ 6248TIP3   OH220191   0.976   0.843   3.918  0.8184 -0.4772 -0.0598
+ 6248TIP3    H120192   1.015   0.841   3.830  1.5226 -1.5953  0.2702
+ 6248TIP3    H220193   0.950   0.752   3.934  0.5654 -0.2439  0.8431
+ 6249TIP3   OH220194   2.003   5.977   6.516 -0.2694  0.1303 -0.0353
+ 6249TIP3    H120195   2.004   6.019   6.602  1.1867  0.1557 -0.0537
+ 6249TIP3    H220196   1.984   6.049   6.455  1.3461  0.6200  0.0169
+ 6250TIP3   OH220197   1.056   2.276   4.968  0.4512  0.4547  0.2253
+ 6250TIP3    H120198   0.972   2.263   4.925  0.8301 -0.2274 -0.3242
+ 6250TIP3    H220199   1.056   2.368   4.995 -0.4245  0.4812  0.1342
+ 6251TIP3   OH220200   1.375   0.578   6.514 -0.1269  0.4904 -0.0149
+ 6251TIP3    H120201   1.363   0.648   6.449 -0.2727  1.2761  0.8506
+ 6251TIP3    H220202   1.465   0.587   6.543  0.0043 -0.0038 -0.2724
+ 6252TIP3   OH220203   1.671   2.267   6.595  0.1554  0.2586  0.3549
+ 6252TIP3    H120204   1.613   2.311   6.532 -0.1642  0.8719  1.0781
+ 6252TIP3    H220205   1.753   2.254   6.547  0.0641  1.1417 -0.0349
+ 6253TIP3   OH220206   6.245   1.006   4.299 -0.0356  0.3603  0.1858
+ 6253TIP3    H120207   6.198   1.081   4.335  1.0293 -0.0674  2.6267
+ 6253TIP3    H220208   6.190   0.930   4.319  0.0056  0.2414 -0.1440
+ 6254TIP3   OH220209   2.003   4.319   3.569 -0.4561 -0.2649  0.6803
+ 6254TIP3    H120210   1.968   4.390   3.623 -0.1081  0.3956  0.0570
+ 6254TIP3    H220211   1.988   4.349   3.479 -0.5321 -1.0970  0.4172
+ 6255TIP3   OH220212   6.391   2.978   5.353  0.3495  0.1187  0.4320
+ 6255TIP3    H120213   6.395   2.899   5.407  0.7213  0.1332  0.4251
+ 6255TIP3    H220214   6.469   3.028   5.376  0.2301  0.3802  0.2742
+ 6256TIP3   OH220215   2.320   3.939   5.149  0.4644 -0.1760 -0.2420
+ 6256TIP3    H120216   2.327   3.886   5.228  0.8621 -0.7898 -0.6801
+ 6256TIP3    H220217   2.410   3.947   5.117  0.0276 -2.2042 -2.0979
+ 6257TIP3   OH220218   1.609   3.628   5.728 -0.2781 -0.1186  0.5812
+ 6257TIP3    H120219   1.668   3.554   5.722  0.4925  0.5221  0.1667
+ 6257TIP3    H220220   1.666   3.705   5.727 -1.1225  0.5165 -0.1230
+ 6258TIP3   OH220221   0.386   1.810   6.564 -0.2271 -0.1564 -0.6929
+ 6258TIP3    H120222   0.317   1.744   6.572  0.1001 -0.2987  1.0586
+ 6258TIP3    H220223   0.340   1.893   6.575 -0.0739 -0.2681  0.8819
+ 6259TIP3   OH220224   0.443   1.093   3.844  0.6088 -0.7271  0.1599
+ 6259TIP3    H120225   0.359   1.057   3.813  0.4592  0.9150 -1.4570
+ 6259TIP3    H220226   0.419   1.174   3.889  1.2249 -0.8989  0.7970
+ 6260TIP3   OH220227   1.528   1.901   4.893  0.2277  0.6046 -0.6355
+ 6260TIP3    H120228   1.490   1.813   4.899  2.5744 -0.4314 -0.2423
+ 6260TIP3    H220229   1.457   1.960   4.920 -1.0405 -1.2630  0.2164
+ 6261TIP3   OH220230   6.151   1.860   3.741 -0.2187  0.6542 -0.5889
+ 6261TIP3    H120231   6.071   1.910   3.756 -1.0473 -1.2410  1.7194
+ 6261TIP3    H220232   6.133   1.809   3.662 -1.2886  0.3085 -0.1351
+ 6262TIP3   OH220233   0.594   3.429   4.081  0.0221  0.2166 -0.0353
+ 6262TIP3    H120234   0.636   3.425   4.167 -2.7867 -1.3125  1.3361
+ 6262TIP3    H220235   0.541   3.508   4.084  0.2229  0.3714 -0.5317
+ 6263TIP3   OH220236   2.129   1.296   2.433  0.2182 -0.7670 -0.2144
+ 6263TIP3    H120237   2.129   1.289   2.528  1.1512 -0.6204 -0.2019
+ 6263TIP3    H220238   2.038   1.318   2.410  0.0524 -0.5550  0.6536
+ 6264TIP3   OH220239   4.282   3.607   4.867  0.7229  0.1650 -0.1041
+ 6264TIP3    H120240   4.275   3.554   4.947 -2.2915  0.4845 -0.1100
+ 6264TIP3    H220241   4.376   3.609   4.848  1.0957 -3.7491  0.8532
+ 6265TIP3   OH220242   3.654   4.205   6.397  0.0294 -0.0929  0.3600
+ 6265TIP3    H120243   3.583   4.163   6.445 -2.3572  2.7759 -0.5062
+ 6265TIP3    H220244   3.663   4.153   6.317 -0.2043 -1.2492  1.0798
+ 6266TIP3   OH220245   0.861   0.609   3.941 -0.4148  0.2919  0.1574
+ 6266TIP3    H120246   0.798   0.610   3.868 -0.7306  1.3031  0.4474
+ 6266TIP3    H220247   0.821   0.550   4.005 -1.2443  1.2262  0.5012
+ 6267TIP3   OH220248   2.607   1.956   2.748 -0.1321  0.1051  0.8213
+ 6267TIP3    H120249   2.553   2.020   2.795 -0.9623  0.7796 -0.9865
+ 6267TIP3    H220250   2.582   1.871   2.785 -1.1450  0.5798  1.2375
+ 6268TIP3   OH220251   1.021   2.689   3.906 -0.3006 -0.1328 -0.5376
+ 6268TIP3    H120252   1.017   2.775   3.864  0.1784 -0.5925 -1.5452
+ 6268TIP3    H220253   0.933   2.675   3.941 -0.2454  0.9791  0.0644
+ 6269TIP3   OH220254   0.130   2.272   4.889  0.2282 -0.7116 -0.0336
+ 6269TIP3    H120255   0.049   2.299   4.932 -0.6027  0.0925 -2.0730
+ 6269TIP3    H220256   0.127   2.176   4.891 -0.3191 -0.6852  0.6819
+ 6270TIP3   OH220257   6.766   4.140   4.677  0.0190 -0.0729  0.2387
+ 6270TIP3    H120258   6.742   4.087   4.752  1.3541 -0.1703  0.6224
+ 6270TIP3    H220259   6.777   4.228   4.712 -1.1799  0.2616 -0.2033
+ 6271TIP3   OH220260   3.140   1.961   5.275 -0.3991 -0.1679 -0.3755
+ 6271TIP3    H120261   3.102   1.874   5.264  0.0763 -0.4202 -0.0390
+ 6271TIP3    H220262   3.092   2.000   5.347 -0.7250 -0.0848 -0.6343
+ 6272TIP3   OH220263   1.089   1.293   5.975  0.4345 -0.0174  0.0765
+ 6272TIP3    H120264   1.114   1.354   6.045 -1.1184 -1.2321  1.7473
+ 6272TIP3    H220265   1.172   1.263   5.939  1.2680  1.0960  0.9887
+ 6273TIP3   OH220266   0.776   1.854   6.008 -0.1020  0.0577 -0.6922
+ 6273TIP3    H120267   0.764   1.787   5.940 -1.8689  0.9870 -1.3091
+ 6273TIP3    H220268   0.688   1.881   6.032  0.4781 -0.4234  2.1966
+ 6274TIP3   OH220269   0.366   3.120   4.211 -0.5003  0.6569 -0.4107
+ 6274TIP3    H120270   0.291   3.125   4.152 -0.2083 -0.7199 -0.9275
+ 6274TIP3    H220271   0.435   3.081   4.157 -0.1735 -0.4322  0.7729
+ 6275TIP3   OH220272   0.966   1.523   5.486  0.0060  0.2689 -0.4727
+ 6275TIP3    H120273   1.056   1.502   5.461  0.8363 -0.7470  3.0420
+ 6275TIP3    H220274   0.923   1.438   5.495 -0.8575  0.6910 -0.5916
+ 6276TIP3   OH220275   3.319   1.425   1.323  0.1155 -0.3797  0.2726
+ 6276TIP3    H120276   3.387   1.361   1.344  1.2011  0.1513 -1.5661
+ 6276TIP3    H220277   3.268   1.384   1.253 -0.1878  0.0847  0.2194
+ 6277TIP3   OH220278   0.291   1.800   5.241 -0.1168  0.2708 -0.3418
+ 6277TIP3    H120279   0.383   1.800   5.266 -1.2473  0.7454  4.3344
+ 6277TIP3    H220280   0.258   1.716   5.273 -2.0109  1.5335  1.1275
+ 6278TIP3   OH220281   2.455   2.444   5.740  0.6469 -0.1827  0.4901
+ 6278TIP3    H120282   2.540   2.399   5.740  0.9292  0.3428 -0.2709
+ 6278TIP3    H220283   2.395   2.382   5.781  0.7192 -1.8780 -1.8312
+ 6279TIP3   OH220284   0.497   1.813   3.982  0.1808  0.5805  0.2530
+ 6279TIP3    H120285   0.409   1.776   3.978 -0.0178  0.8177  2.0054
+ 6279TIP3    H220286   0.511   1.850   3.895 -1.5079  0.6408 -0.0160
+ 6280TIP3   OH220287   6.162   1.961   4.672  0.2906  0.6399 -0.1906
+ 6280TIP3    H120288   6.176   1.892   4.607 -1.5958  1.3200 -1.3248
+ 6280TIP3    H220289   6.206   2.038   4.636  1.8076  0.2349  0.7578
+ 6281TIP3   OH220290   1.388   4.128   5.219  0.1184 -0.4675 -0.0762
+ 6281TIP3    H120291   1.451   4.083   5.162 -0.9588 -2.0214 -0.0925
+ 6281TIP3    H220292   1.406   4.095   5.307 -0.9998 -1.3299 -0.1576
+ 6282TIP3   OH220293   1.962   1.552   4.304 -0.0919  0.7608 -0.1369
+ 6282TIP3    H120294   1.874   1.517   4.289 -0.4288  2.1301 -1.5645
+ 6282TIP3    H220295   2.006   1.543   4.219  0.8890  0.8026  0.3601
+ 6283TIP3   OH220296   6.844   0.797   5.676  0.7476  0.2024  0.0313
+ 6283TIP3    H120297   6.770   0.858   5.677 -1.1025 -1.9605 -0.4349
+ 6283TIP3    H220298   6.847   0.761   5.765  0.9723 -0.0216 -0.0670
+ 6284TIP3   OH220299   1.928   2.402   2.881  0.1895  0.2004  0.3379
+ 6284TIP3    H120300   1.997   2.427   2.820 -0.2969 -1.6453 -1.0161
+ 6284TIP3    H220301   1.961   2.323   2.924 -0.6153 -0.0920  0.4385
+ 6285TIP3   OH220302   4.239   4.241   0.048  0.0055  0.6958 -0.0056
+ 6285TIP3    H120303   4.242   4.313  -0.014 -3.0569  1.3803  0.5578
+ 6285TIP3    H220304   4.218   4.282   0.132 -0.9665 -0.7406  0.4793
+ 6286TIP3   OH220305   0.866   1.986   5.616  0.9735  0.2568 -0.3213
+ 6286TIP3    H120306   0.901   1.928   5.684 -0.1293 -2.3250 -1.9055
+ 6286TIP3    H220307   0.868   1.934   5.536  2.2532  3.2489 -2.3523
+ 6287TIP3   OH220308   0.863   3.385   2.502  0.0047 -0.1646 -0.0697
+ 6287TIP3    H120309   0.898   3.311   2.551  0.2140  0.8244  1.2862
+ 6287TIP3    H220310   0.933   3.409   2.441 -0.5368 -1.8652 -1.3997
+ 6288TIP3   OH220311   6.449   4.720   3.908  0.2851  0.2098  0.4529
+ 6288TIP3    H120312   6.481   4.638   3.944 -1.1837 -0.0010  1.3302
+ 6288TIP3    H220313   6.523   4.756   3.859  1.3895 -0.9230  1.2762
+ 6289TIP3   OH220314   1.454   1.554   3.112  0.3915  0.2226 -0.0723
+ 6289TIP3    H120315   1.500   1.471   3.096  0.2884 -0.0562  1.0525
+ 6289TIP3    H220316   1.523   1.620   3.111  0.6380 -0.0251  0.2001
+ 6290TIP3   OH220317   0.383   2.392   5.234 -0.1666  0.0318  0.5315
+ 6290TIP3    H120318   0.354   2.388   5.326  0.3082  0.9776  0.7304
+ 6290TIP3    H220319   0.478   2.385   5.239 -0.0119  1.5810  0.2431
+ 6291TIP3   OH220320   6.174   3.493   4.631  0.2912  0.0406  0.0512
+ 6291TIP3    H120321   6.156   3.405   4.600  1.0931  0.0160 -0.3539
+ 6291TIP3    H220322   6.177   3.485   4.726  1.4900 -0.5986 -0.0231
+ 6292TIP3   OH220323   1.786   4.457   2.092  0.1372 -0.1996 -0.6027
+ 6292TIP3    H120324   1.864   4.403   2.078 -0.0952 -0.4410 -1.0086
+ 6292TIP3    H220325   1.767   4.494   2.005  0.7256  1.1325 -0.1821
+ 6293TIP3   OH220326   5.828   1.674   1.218 -0.0218  0.4783 -0.2893
+ 6293TIP3    H120327   5.910   1.648   1.175  0.1192 -1.1420  0.9318
+ 6293TIP3    H220328   5.854   1.696   1.308 -1.1023 -1.3346  0.4940
+ 6294TIP3   OH220329   2.260   1.731   3.767 -0.7638 -0.3785  0.5579
+ 6294TIP3    H120330   2.237   1.658   3.710 -1.1651 -0.1948  0.4862
+ 6294TIP3    H220331   2.241   1.699   3.855  1.6304 -1.3528  0.7626
+ 6295TIP3   OH220332   1.058   0.076   3.812 -0.0965  0.6760 -0.0682
+ 6295TIP3    H120333   1.004   0.139   3.859 -0.7763  0.1361 -0.1197
+ 6295TIP3    H220334   1.040   0.094   3.719  1.0597  1.5793 -0.1353
+ 6296TIP3   OH220335   0.664   2.163   4.278 -0.1501  0.4451  0.0147
+ 6296TIP3    H120336   0.632   2.150   4.189 -1.2999 -1.9203  0.7401
+ 6296TIP3    H220337   0.585   2.171   4.332  0.5310  2.0218  0.8214
+ 6297TIP3   OH220338   1.933   2.458   5.427 -0.1053 -0.1210 -0.0505
+ 6297TIP3    H120339   1.989   2.478   5.353  0.2879 -1.0092  0.0048
+ 6297TIP3    H220340   1.844   2.468   5.393  0.0347  2.7678  0.2578
+ 6298TIP3   OH220341   5.627   1.145   3.061 -0.1083  0.8281  0.3930
+ 6298TIP3    H120342   5.634   1.072   3.122 -1.7764  0.0899 -0.2646
+ 6298TIP3    H220343   5.706   1.197   3.076  0.9852 -0.9899  1.0136
+ 6299TIP3   OH220344   6.546   1.466   6.408  0.6392 -0.1865 -0.2040
+ 6299TIP3    H120345   6.534   1.560   6.413  0.1475 -0.3041  0.8314
+ 6299TIP3    H220346   6.641   1.453   6.408  0.7056  0.2984 -0.3803
+ 6300TIP3   OH220347   2.284   1.426   3.602 -0.7639 -0.3214 -0.6740
+ 6300TIP3    H120348   2.367   1.458   3.566 -0.2884 -0.5680  0.1781
+ 6300TIP3    H220349   2.217   1.458   3.541  0.0717 -1.2460 -2.1120
+ 6301TIP3   OH220350   1.082   4.313   1.922 -0.5973 -0.2875 -0.0505
+ 6301TIP3    H120351   1.028   4.287   1.997  2.3601 -0.8368  1.9610
+ 6301TIP3    H220352   1.140   4.239   1.907  0.9589  1.0610 -0.8608
+ 6302TIP3   OH220353   1.104   6.768   5.927 -0.0830  0.3748 -0.4148
+ 6302TIP3    H120354   1.126   6.677   5.907  0.5524  0.5581 -0.5708
+ 6302TIP3    H220355   1.079   6.805   5.842 -4.5593 -0.7570  0.2490
+ 6303TIP3   OH220356   1.628   2.254   2.700  0.3798  0.0372 -0.1849
+ 6303TIP3    H120357   1.721   2.255   2.722  0.3588  1.7830 -0.1531
+ 6303TIP3    H220358   1.617   2.325   2.637 -0.9473 -0.1190 -0.1451
+ 6304TIP3   OH220359   0.528   5.281   3.467  0.4676 -0.2796  0.1726
+ 6304TIP3    H120360   0.588   5.245   3.533  0.8928  1.8280  0.9517
+ 6304TIP3    H220361   0.480   5.350   3.512 -0.3102  0.1805 -1.3189
+ 6305TIP3   OH220362   0.891   3.684   2.824  0.4677  0.5631 -0.2444
+ 6305TIP3    H120363   0.936   3.654   2.903  0.4333  1.6090  0.1815
+ 6305TIP3    H220364   0.961   3.713   2.765  0.5315 -0.7676 -0.8473
+ 6306TIP3   OH220365   2.238   1.467   5.741 -0.2855  0.2547 -0.2981
+ 6306TIP3    H120366   2.294   1.435   5.812 -2.2191 -0.5807  0.8992
+ 6306TIP3    H220367   2.265   1.416   5.664  0.2811 -0.4595  0.3694
+ 6307TIP3   OH220368   5.399   3.274   5.109  0.1351 -0.0073 -0.0822
+ 6307TIP3    H120369   5.491   3.300   5.107  0.3186 -0.5235  1.1251
+ 6307TIP3    H220370   5.396   3.192   5.061 -0.4024  2.0146 -3.6888
+ 6308TIP3   OH220371   3.053   2.884   5.458  0.6404 -0.7486 -0.0972
+ 6308TIP3    H120372   3.088   2.898   5.546 -0.4661 -1.2981  0.4507
+ 6308TIP3    H220373   2.973   2.833   5.472  0.2000 -0.4405 -1.3882
+ 6309TIP3   OH220374   3.388   4.488   5.858 -0.4146  0.0379  0.0999
+ 6309TIP3    H120375   3.378   4.475   5.764 -0.2911 -0.7476  0.1905
+ 6309TIP3    H220376   3.299   4.501   5.891 -0.5781 -0.9705  0.0569
+ 6310TIP3   OH220377   1.897   4.570   0.024  0.7236  0.2090  0.8291
+ 6310TIP3    H120378   1.888   4.540   0.115 -0.3423 -1.1855  0.3007
+ 6310TIP3    H220379   1.943   4.498  -0.020 -2.1304 -0.8753 -0.5279
+ 6311TIP3   OH220380   2.119   3.558   5.248 -0.0122  0.0639 -0.4537
+ 6311TIP3    H120381   2.157   3.646   5.242 -1.8270  0.8538 -1.1283
+ 6311TIP3    H220382   2.093   3.549   5.340  2.4721 -0.8022  0.1889
+ 6312TIP3   OH220383   2.388   1.657   4.277  0.6437 -0.0968  0.0040
+ 6312TIP3    H120384   2.321   1.634   4.213  1.0530 -0.8778 -0.1541
+ 6312TIP3    H220385   2.468   1.619   4.243  1.2957  1.3430 -0.0993
+ 6313TIP3   OH220386   2.728   2.274   2.555  0.1393  0.1327 -1.2520
+ 6313TIP3    H120387   2.667   2.246   2.487  0.3654 -0.1595 -1.3353
+ 6313TIP3    H220388   2.807   2.223   2.539 -0.1419 -0.6831 -0.1745
+ 6314TIP3   OH220389   1.285   2.779   5.451  0.0488 -0.3336 -0.4464
+ 6314TIP3    H120390   1.200   2.753   5.488 -0.8077  0.2532 -1.9891
+ 6314TIP3    H220391   1.322   2.697   5.418  1.4867 -1.1480  2.9191
+ 6315TIP3   OH220392   3.772   2.147   4.812  0.7645 -0.0853 -0.5265
+ 6315TIP3    H120393   3.867   2.159   4.810  0.8696 -0.9662 -2.3423
+ 6315TIP3    H220394   3.745   2.153   4.720 -0.9370  0.1596 -0.0290
+ 6316TIP3   OH220395   2.615   4.040   5.661  0.6333  1.0490  0.7263
+ 6316TIP3    H120396   2.628   4.004   5.749  2.7094  0.2332  0.1180
+ 6316TIP3    H220397   2.700   4.029   5.618 -0.2101  1.9185 -1.2116
+ 6317TIP3   OH220398   1.680   1.047   4.141 -0.1248 -0.4907 -0.4792
+ 6317TIP3    H120399   1.722   1.078   4.061  2.7945 -0.6415  0.8894
+ 6317TIP3    H220400   1.609   1.109   4.157  1.1345  1.3216 -1.6088
+ 6318TIP3   OH220401   3.232   4.432   6.335  0.2004 -0.1320  0.0075
+ 6318TIP3    H120402   3.310   4.440   6.389 -1.3325  1.6704  2.0925
+ 6318TIP3    H220403   3.160   4.456   6.394 -1.6876  0.4281 -2.4276
+ 6319TIP3   OH220404   0.287   1.293   4.824 -0.1290  1.1495 -0.2740
+ 6319TIP3    H120405   0.209   1.271   4.773 -0.7435  0.5472  0.9055
+ 6319TIP3    H220406   0.305   1.384   4.803  0.9690  0.2968 -3.3355
+ 6320TIP3   OH220407   3.757   1.980   6.035 -0.4173 -0.1169 -0.5718
+ 6320TIP3    H120408   3.704   1.906   6.005 -0.7886 -0.5304  1.0389
+ 6320TIP3    H220409   3.819   1.940   6.097 -0.2083  0.8299 -0.1724
+ 6321TIP3   OH220410   4.766   4.133   4.990 -0.1544 -0.2042  0.4133
+ 6321TIP3    H120411   4.848   4.175   4.964  0.1370  0.4251  2.2776
+ 6321TIP3    H220412   4.717   4.202   5.035 -0.7744 -1.1585  1.2190
+ 6322TIP3   OH220413   2.336   5.522   4.250 -0.3812  0.0408  0.2992
+ 6322TIP3    H120414   2.267   5.463   4.278  0.4660 -1.4179 -0.6237
+ 6322TIP3    H220415   2.324   5.600   4.304 -0.5623 -1.5473  2.6231
+ 6323TIP3   OH220416   3.249   1.967   2.182  0.8084  0.3893  0.2488
+ 6323TIP3    H120417   3.196   2.033   2.228  1.5104  1.4728 -0.4723
+ 6323TIP3    H220418   3.251   1.893   2.242  1.0254  1.4699  1.6294
+ 6324TIP3   OH220419   2.619   1.848   3.299 -0.1412  0.8088 -0.1328
+ 6324TIP3    H120420   2.630   1.936   3.334 -0.7638  1.3438 -1.2603
+ 6324TIP3    H220421   2.588   1.861   3.210  1.8924 -0.5086 -1.0733
+ 6325TIP3   OH220422   3.804   2.781   5.343 -0.9765  0.6853  0.0856
+ 6325TIP3    H120423   3.769   2.790   5.254 -1.2612 -0.7522  0.0325
+ 6325TIP3    H220424   3.878   2.841   5.346 -0.8419  0.6049 -1.2031
+ 6326TIP3   OH220425   3.238   2.686   0.390 -0.2360 -0.3358 -0.1354
+ 6326TIP3    H120426   3.249   2.769   0.344 -1.4781 -0.7296 -1.1581
+ 6326TIP3    H220427   3.243   2.709   0.483  2.0390  0.4967 -0.4374
+ 6327TIP3   OH220428   4.190   1.728   5.228  0.6563  0.1146 -0.0484
+ 6327TIP3    H120429   4.125   1.774   5.282  0.8984  1.1423 -0.6180
+ 6327TIP3    H220430   4.151   1.726   5.140  1.0707  0.0659 -0.2329
+ 6328TIP3   OH220431   1.592   6.033   2.558  0.2577  0.2152 -0.0098
+ 6328TIP3    H120432   1.518   5.997   2.509  0.8571  1.3497 -1.7668
+ 6328TIP3    H220433   1.665   6.031   2.497  0.8692  2.2816  0.6079
+ 6329TIP3   OH220434   2.222   3.386   4.844 -0.5818  0.1109 -0.2864
+ 6329TIP3    H120435   2.138   3.404   4.801 -1.0675  0.3296  0.7377
+ 6329TIP3    H220436   2.207   3.407   4.936  0.6312  0.2454 -0.1085
+ 6330TIP3   OH220437   2.392   2.530   4.693 -0.1017 -0.0931 -0.3299
+ 6330TIP3    H120438   2.458   2.464   4.714  2.0544  1.0166 -3.3582
+ 6330TIP3    H220439   2.325   2.482   4.644  0.1022 -0.5857 -0.1274
+ 6331TIP3   OH220440   2.832   2.359   3.899  0.0364 -0.0124  0.5800
+ 6331TIP3    H120441   2.750   2.360   3.948  0.4199 -2.8244  1.3341
+ 6331TIP3    H220442   2.898   2.388   3.961 -0.1029  0.6014  0.4524
+ 6332TIP3   OH220443   2.484   3.351   4.703  0.4341 -0.0206 -0.3301
+ 6332TIP3    H120444   2.451   3.307   4.624  0.2797 -1.3162  0.4351
+ 6332TIP3    H220445   2.411   3.346   4.765  1.0568 -0.2994  0.3848
+ 6333TIP3   OH220446   2.660   2.297   5.525 -0.3786 -0.6784 -0.0994
+ 6333TIP3    H120447   2.684   2.319   5.435  2.4235 -0.3383  0.6907
+ 6333TIP3    H220448   2.679   2.204   5.533 -1.0906 -0.8163 -0.0015
+ 6334TIP3   OH220449   2.906   3.923   4.414  0.5216  0.1180 -0.2741
+ 6334TIP3    H120450   2.868   4.006   4.440 -0.3029 -0.6700  1.1228
+ 6334TIP3    H220451   2.964   3.944   4.341 -0.5534  1.7355 -0.6837
+ 6335TIP3   OH220452   1.680   3.245   5.059 -0.2327  0.2877 -0.0266
+ 6335TIP3    H120453   1.609   3.205   5.009  1.8143 -1.2477 -1.8017
+ 6335TIP3    H220454   1.715   3.314   5.003  0.8382 -0.1692  0.0549
+ 6336TIP3   OH220455   3.037   3.236   0.414  0.2638  0.1955 -0.4817
+ 6336TIP3    H120456   3.041   3.154   0.364  0.7475  0.3524 -0.7090
+ 6336TIP3    H220457   2.976   3.291   0.366 -1.8008 -0.8446  0.9012
+ 6337TIP3   OH220458   3.261   1.018   5.076  0.2746  0.0143  0.7237
+ 6337TIP3    H120459   3.288   0.929   5.099 -0.1492 -0.4190 -0.4094
+ 6337TIP3    H220460   3.166   1.011   5.063  0.5857  0.1088 -1.7380
+ 6338TIP3   OH220461   5.172   2.631   3.690  0.3789  0.0300 -0.1557
+ 6338TIP3    H120462   5.179   2.721   3.660  0.6817 -0.8221 -2.7084
+ 6338TIP3    H220463   5.259   2.594   3.678  0.8297 -0.0296  2.9001
+ 6339TIP3   OH220464   2.724   3.566   5.001 -0.6155 -0.0834  0.2517
+ 6339TIP3    H120465   2.674   3.488   5.027 -3.3542  2.0264  1.6113
+ 6339TIP3    H220466   2.746   3.609   5.084  1.3009  0.3618 -0.4625
+ 6340TIP3   OH220467   0.137   1.567   2.530 -0.2342 -0.3629 -0.2906
+ 6340TIP3    H120468   0.208   1.598   2.475  0.1696 -0.6461  0.0681
+ 6340TIP3    H220469   0.061   1.565   2.472 -0.1489  0.7662 -0.4624
+ 6341TIP3   OH220470   3.942   3.915   5.548  0.3014 -0.4115 -0.0053
+ 6341TIP3    H120471   3.951   3.825   5.582 -2.4817 -0.3975  0.8763
+ 6341TIP3    H220472   4.026   3.932   5.505  0.9792 -3.3471  0.0187
+ 6342TIP3   OH220473   2.353   3.993   5.587  0.2605 -0.0816  0.3850
+ 6342TIP3    H120474   2.438   3.995   5.631  0.5537 -1.4859 -0.0839
+ 6342TIP3    H220475   2.343   4.081   5.551  0.9922  0.4376  1.4160
+ 6343TIP3   OH220476   4.271   2.247   5.226 -0.0850  0.0185 -0.1896
+ 6343TIP3    H120477   4.247   2.301   5.302 -0.8456  0.3769 -0.6819
+ 6343TIP3    H220478   4.355   2.209   5.250  0.5471  1.5669  0.0849
+ 6344TIP3   OH220479   2.263   3.595   5.808  0.0368  0.4952  0.0783
+ 6344TIP3    H120480   2.237   3.503   5.809 -1.8894  1.0113  1.6974
+ 6344TIP3    H220481   2.338   3.600   5.867 -0.0720  0.0091  0.2587
+ 6345TIP3   OH220482   2.933   0.181   3.235  0.0261  0.0365  0.1671
+ 6345TIP3    H120483   2.889   0.096   3.243  1.7221 -0.9032 -0.0443
+ 6345TIP3    H220484   2.989   0.171   3.158 -0.8159  1.8654 -0.6950
+ 6346TIP3   OH220485   2.601   3.366   6.080 -0.1675 -0.4137 -0.3757
+ 6346TIP3    H120486   2.653   3.291   6.050  0.7210 -0.9153  2.3320
+ 6346TIP3    H220487   2.645   3.396   6.159 -1.5903  1.8245 -0.3977
+ 6347TIP3   OH220488   3.928   2.939   5.628  0.4811 -0.6639 -0.0572
+ 6347TIP3    H120489   3.945   2.979   5.543  0.6161  2.3031  1.3103
+ 6347TIP3    H220490   3.864   2.870   5.609 -0.8520  1.1091 -2.3226
+ 6348TIP3   OH220491   1.090   3.103   4.109  0.4042 -0.1866  0.6155
+ 6348TIP3    H120492   1.062   3.058   4.189  0.2521 -0.0025  0.6656
+ 6348TIP3    H220493   1.071   3.196   4.126 -1.5113 -0.3673 -0.4362
+ 6349TIP3   OH220494   1.934   2.100   3.461 -0.2780  0.3395 -0.2811
+ 6349TIP3    H120495   1.979   2.079   3.542 -1.0405 -1.6595 -0.3437
+ 6349TIP3    H220496   1.842   2.085   3.480 -0.5530  0.8050 -1.2207
+ 6350TIP3   OH220497   1.424   1.794   4.584 -0.0151 -0.1487  0.0527
+ 6350TIP3    H120498   1.330   1.807   4.576  0.0583  0.1198 -0.3623
+ 6350TIP3    H220499   1.460   1.882   4.591  0.1254 -0.2856  1.1147
+ 6351TIP3   OH220500   3.118   2.438   4.022  0.6595  0.0094 -0.3369
+ 6351TIP3    H120501   3.156   2.448   3.935  1.2527  1.2975  0.0600
+ 6351TIP3    H220502   3.072   2.520   4.038  1.4175  0.1965  0.9775
+ 6352TIP3   OH220503   1.569   1.181   4.352  0.0638  0.3932 -0.5370
+ 6352TIP3    H120504   1.474   1.180   4.364  0.1074  0.2233 -0.2019
+ 6352TIP3    H220505   1.603   1.135   4.429  0.5466  2.7756  0.7143
+ 6353TIP3   OH220506   1.311   2.616   4.895  0.0332  0.0607  0.5209
+ 6353TIP3    H120507   1.375   2.687   4.884  2.2026 -1.4289  3.0568
+ 6353TIP3    H220508   1.358   2.537   4.867 -1.3141 -0.8230  0.7260
+ 6354TIP3   OH220509   3.693   1.959   5.479  0.1130 -0.9953 -0.5145
+ 6354TIP3    H120510   3.598   1.946   5.479 -0.3937  2.1683 -0.1565
+ 6354TIP3    H220511   3.713   1.993   5.567  1.1552  0.7781 -1.3998
+ 6355TIP3   OH220512   2.320   1.326   4.124  0.6567 -0.1110 -0.1852
+ 6355TIP3    H120513   2.378   1.316   4.048  0.9500  0.8970 -0.1133
+ 6355TIP3    H220514   2.284   1.415   4.114  1.5306  0.4501  1.4236
+ 6356TIP3   OH220515   1.065   1.547   2.255  0.9271  0.3162  0.3913
+ 6356TIP3    H120516   1.067   1.538   2.160  1.5862  0.6738  0.3713
+ 6356TIP3    H220517   0.972   1.547   2.276  0.7713  0.3669 -0.2688
+ 6357TIP3   OH220518   2.232   1.149   3.717  0.0809  0.1317  0.3506
+ 6357TIP3    H120519   2.288   1.123   3.644 -0.1178  0.2996  0.1395
+ 6357TIP3    H220520   2.240   1.244   3.721  0.9736  0.0310  1.2555
+ 6358TIP3   OH220521   1.317   1.429   2.846 -0.3057 -0.1829 -0.5931
+ 6358TIP3    H120522   1.365   1.476   2.914  1.8816 -0.1898 -2.0647
+ 6358TIP3    H220523   1.270   1.497   2.798 -0.1032  0.0686 -0.4360
+ 6359TIP3   OH220524   3.773   0.079   5.149 -0.4923  0.1992  0.0005
+ 6359TIP3    H120525   3.847   0.023   5.173 -0.7313  0.1831  0.7073
+ 6359TIP3    H220526   3.802   0.124   5.070  0.8556  1.3584  1.1343
+ 6360TIP3   OH220527   3.057   4.866   0.477  0.3759  0.2447  0.4851
+ 6360TIP3    H120528   3.089   4.822   0.398 -0.9452  0.9628 -0.4633
+ 6360TIP3    H220529   3.085   4.957   0.467  1.2069  0.1064  1.4159
+ 6361TIP3   OH220530   2.916   1.362   5.131 -0.6321  0.3938 -0.2943
+ 6361TIP3    H120531   2.859   1.287   5.145  0.6038 -0.2062  1.7225
+ 6361TIP3    H220532   2.878   1.407   5.055 -1.7258 -1.9102 -1.1588
+ 6362TIP3   OH220533   2.314   0.060   3.327  0.2734 -0.1685  0.0320
+ 6362TIP3    H120534   2.307   0.081   3.234 -0.0380 -0.2290  0.0428
+ 6362TIP3    H220535   2.378   0.123   3.361 -0.4640  0.5917  0.0121
+ 6363TIP3   OH220536   2.821   2.726   5.017 -0.3440 -0.2544  0.0821
+ 6363TIP3    H120537   2.857   2.644   4.982 -0.7014 -0.6268  0.5793
+ 6363TIP3    H220538   2.728   2.708   5.029 -0.6227  0.5630 -0.7718
+ 6364TIP3   OH220539   2.217   1.024   3.979  0.1564  0.2278  0.0663
+ 6364TIP3    H120540   2.171   1.085   4.036 -0.3575  1.0318 -1.1996
+ 6364TIP3    H220541   2.260   1.079   3.913 -0.7679 -0.7952 -1.4078
+ 6365TIP3   OH220542   3.313   4.086   6.392 -0.2193 -0.4492 -0.7860
+ 6365TIP3    H120543   3.376   4.027   6.434 -0.9141 -0.7078 -0.1085
+ 6365TIP3    H220544   3.363   4.128   6.322  0.6461 -0.8312 -0.4019
+ 6366TIP3   OH220545   3.331   2.455   6.101  0.5994  0.1697  0.5721
+ 6366TIP3    H120546   3.281   2.451   6.182 -1.1801  0.3063 -0.4905
+ 6366TIP3    H220547   3.413   2.410   6.121 -0.1957 -0.6003  2.1768
+ 6367TIP3   OH220548   1.981   4.511   5.606 -0.1898  0.0867 -0.2145
+ 6367TIP3    H120549   1.903   4.505   5.661 -1.1882 -1.5052 -1.7454
+ 6367TIP3    H220550   2.043   4.449   5.645 -0.2556  0.2160  0.0962
+ 6368TIP3   OH220551   2.651   2.432   3.446  0.2240 -0.2125  0.9552
+ 6368TIP3    H120552   2.611   2.499   3.390  2.1437 -0.2245 -0.4657
+ 6368TIP3    H220553   2.594   2.428   3.523 -1.8493  0.5679 -0.5097
+ 6369TIP3   OH220554   3.176   5.712   4.273  0.0631  0.4181 -0.0466
+ 6369TIP3    H120555   3.256   5.743   4.231  1.1683  0.2900  1.8866
+ 6369TIP3    H220556   3.174   5.758   4.357 -2.3022  0.9798 -0.3830
+ 6370TIP3   OH220557   5.127   5.003   0.134 -0.5657 -0.5444 -0.1660
+ 6370TIP3    H120558   5.087   4.943   0.198 -1.5605  1.3013  0.9917
+ 6370TIP3    H220559   5.219   4.978   0.133 -0.4679 -0.4380  2.2368
+ 6371TIP3   OH220560   3.489   2.928   5.331  0.1683  0.0231 -0.1732
+ 6371TIP3    H120561   3.451   2.955   5.247  3.2087 -0.6293 -1.8208
+ 6371TIP3    H220562   3.474   2.833   5.333  0.3818 -0.0083 -0.1217
+ 6372TIP3   OH220563   3.709   3.532   4.889 -0.1473 -0.7024 -0.7983
+ 6372TIP3    H120564   3.748   3.523   4.976  0.8399 -0.3804 -1.2044
+ 6372TIP3    H220565   3.625   3.575   4.905  0.2782 -0.1411 -0.0658
+ 6373TIP3   OH220566   2.575   2.217   4.449  0.1831  0.6724 -0.0809
+ 6373TIP3    H120567   2.654   2.167   4.427  1.4899  2.4856  0.3508
+ 6373TIP3    H220568   2.583   2.298   4.398 -1.7264  0.5850 -0.5220
+ 6374TIP3   OH220569   4.239   2.011   5.783 -0.1804 -0.7201  0.2987
+ 6374TIP3    H120570   4.319   2.047   5.744  0.0569  0.3614  1.7274
+ 6374TIP3    H220571   4.205   2.082   5.837 -1.3035 -1.6886  0.8912
+ 6375TIP3   OH220572   2.697   1.650   4.829 -0.2374  0.3100  0.1167
+ 6375TIP3    H120573   2.704   1.593   4.752 -0.3721  1.7192 -0.9517
+ 6375TIP3    H220574   2.629   1.713   4.806 -2.9864 -1.4953  2.8636
+ 6376TIP3   OH220575   6.777   5.325   6.400  0.4012  0.2844  0.4205
+ 6376TIP3    H120576   6.816   5.362   6.321  1.1398 -0.6580  0.3422
+ 6376TIP3    H220577   6.748   5.238   6.375 -0.4047  0.4074  0.8878
+ 6377TIP3   OH220578   3.328   1.844   5.728 -0.3082 -0.1363  0.4502
+ 6377TIP3    H120579   3.325   1.864   5.822 -1.0763  1.3412  0.1240
+ 6377TIP3    H220580   3.275   1.764   5.719  0.3666 -0.7052  1.3642
+ 6378TIP3   OH220581   3.567   2.323   6.219  0.1330 -0.2151 -0.1241
+ 6378TIP3    H120582   3.582   2.285   6.306 -1.4596  0.9153  0.6706
+ 6378TIP3    H220583   3.643   2.379   6.203 -0.6648  1.4003  1.5752
+ 6379TIP3   OH220584   2.497   2.636   3.308 -0.1079  0.0674  0.7871
+ 6379TIP3    H120585   2.519   2.721   3.270  1.4380 -0.6323  0.0852
+ 6379TIP3    H220586   2.414   2.612   3.268  0.2600  0.5150 -0.2523
+ 6380TIP3   OH220587   2.466   2.137   5.176 -0.3454  0.1308  0.1470
+ 6380TIP3    H120588   2.393   2.115   5.235  0.1546  1.8603  1.4369
+ 6380TIP3    H220589   2.482   2.230   5.192  3.1873 -0.5798  1.0440
+ 6381TIP3   OH220590   2.517   4.369   4.469 -0.5489 -0.3746  0.0809
+ 6381TIP3    H120591   2.469   4.441   4.428 -1.3395 -2.4284 -2.7837
+ 6381TIP3    H220592   2.591   4.353   4.410 -0.0080 -1.4690  1.0428
+ 6382TIP3   OH220593   1.428   1.026   3.931  0.8245 -0.3949  0.0546
+ 6382TIP3    H120594   1.380   1.085   3.990 -0.3415 -1.1713 -0.0921
+ 6382TIP3    H220595   1.387   0.941   3.945 -0.4494 -0.3159 -2.9056
+ 6383TIP3   OH220596   1.939   3.200   5.697  0.0096 -0.0856 -0.3469
+ 6383TIP3    H120597   1.935   3.169   5.607 -0.4040 -2.4101  0.4418
+ 6383TIP3    H220598   2.028   3.234   5.707  0.7075 -1.6591 -1.0589
+ 6384TIP3   OH220599   4.163   3.358   0.659 -0.2037 -0.6937  0.3089
+ 6384TIP3    H120600   4.081   3.325   0.621 -0.2067 -0.1372 -0.1658
+ 6384TIP3    H220601   4.148   3.353   0.754  0.2053 -3.1057  0.2886
+ 6385TIP3   OH220602   2.902   2.943   5.208 -0.7829  0.5349 -0.1512
+ 6385TIP3    H120603   2.963   2.930   5.281 -1.8922  1.1606  0.9017
+ 6385TIP3    H220604   2.912   2.865   5.154  1.6350  1.0414 -0.5011
+ 6386TIP3   OH220605   3.248   5.309   6.150 -0.0027 -0.4531  0.4833
+ 6386TIP3    H120606   3.336   5.272   6.158  0.4893  0.9551  1.7474
+ 6386TIP3    H220607   3.239   5.329   6.057  1.4035  0.2929  0.4910
+ 6387TIP3   OH220608   3.042   4.008   4.749 -0.9101 -0.2519  0.0768
+ 6387TIP3    H120609   3.029   4.059   4.670 -1.5384 -0.2648  0.1740
+ 6387TIP3    H220610   3.014   4.066   4.820  2.4118  0.8728  0.5614
+ 6388TIP3   OH220611   3.878   3.354   6.237 -0.5895  0.0129 -0.7468
+ 6388TIP3    H120612   3.942   3.411   6.195  1.8445 -2.7905 -0.9446
+ 6388TIP3    H220613   3.888   3.269   6.193 -2.7356 -1.1447  0.8848
+ 6389TIP3   OH220614   3.182   1.353   3.825 -0.1447  0.4240  0.2293
+ 6389TIP3    H120615   3.101   1.333   3.872 -0.4605  0.0779 -0.4559
+ 6389TIP3    H220616   3.154   1.406   3.750 -0.0022 -1.4522 -1.1832
+ 6390TIP3   OH220617   2.564   3.580   0.901 -0.1713  0.0072 -0.0639
+ 6390TIP3    H120618   2.496   3.637   0.937 -0.8137 -1.7785  1.6462
+ 6390TIP3    H220619   2.645   3.630   0.910 -1.0932  1.7284 -1.1285
+ 6391TIP3   OH220620   4.004   4.432   0.466 -0.6064  0.1315  0.0360
+ 6391TIP3    H120621   4.078   4.395   0.515 -0.3818  0.4557 -0.0548
+ 6391TIP3    H220622   3.938   4.363   0.467 -0.6595  0.1879  0.9260
+ 6392TIP3   OH220623   1.103   2.039   5.128 -0.5768  0.0431  0.0667
+ 6392TIP3    H120624   1.014   2.004   5.133 -0.3105 -1.5358 -3.9040
+ 6392TIP3    H220625   1.093   2.119   5.076  0.2475  0.2054  0.1618
+ 6393TIP3   OH220626   1.087   1.148   0.230 -0.0491 -0.0468 -0.3484
+ 6393TIP3    H120627   1.048   1.096   0.300  1.1076 -0.6133 -0.1166
+ 6393TIP3    H220628   1.130   1.221   0.275  1.6063 -0.9869 -0.3630
+ 6394TIP3   OH220629   2.864   2.719   4.539  0.4393 -0.4687  0.1555
+ 6394TIP3    H120630   2.866   2.743   4.446  1.0250 -0.3900  0.1845
+ 6394TIP3    H220631   2.775   2.686   4.554  0.8703 -2.1136 -0.8487
+ 6395TIP3   OH220632   2.427   3.372   5.361 -0.2943 -0.8082 -0.3411
+ 6395TIP3    H120633   2.333   3.370   5.343 -0.4751  0.2386  0.4141
+ 6395TIP3    H220634   2.467   3.387   5.275 -0.9543  0.9334 -0.3714
+ 6396TIP3   OH220635   2.164   4.352   5.039 -0.5407  0.5823  0.6898
+ 6396TIP3    H120636   2.077   4.365   5.078 -0.6984 -0.5045  0.7377
+ 6396TIP3    H220637   2.202   4.280   5.090  0.1805  0.7103  0.3365
+ 6397TIP3   OH220638   1.374   0.159   5.085  0.2456  0.4961  0.5963
+ 6397TIP3    H120639   1.283   0.183   5.063  0.3726  0.3462 -0.1189
+ 6397TIP3    H220640   1.415   0.242   5.109  0.1715  0.7202 -0.0254
+ 6398TIP3   OH220641   3.486   1.830   6.771  0.1146 -0.3363  0.2661
+ 6398TIP3    H120642   3.393   1.814   6.753  0.1369  0.0130 -0.1663
+ 6398TIP3    H220643   3.486   1.893   6.843  0.0219 -0.8948  0.7608
+ 6399TIP3   OH220644   2.739   1.745   5.074 -0.7671  0.2863 -0.4590
+ 6399TIP3    H120645   2.734   1.691   4.995  2.7626 -0.3612 -0.3355
+ 6399TIP3    H220646   2.699   1.828   5.050 -2.0246 -0.7807 -2.1260
+ 6400TIP3   OH220647   1.914   4.313   6.542  0.4100  1.1674  0.2555
+ 6400TIP3    H120648   1.910   4.321   6.638 -2.8992 -2.7255  0.5731
+ 6400TIP3    H220649   1.978   4.243   6.527 -2.7923 -1.8174 -0.0086
+ 6401TIP3   OH220650   4.798   3.029   0.271 -0.3209 -0.3871 -0.0208
+ 6401TIP3    H120651   4.783   3.071   0.186  0.2679  0.4822  0.2977
+ 6401TIP3    H220652   4.871   2.969   0.255 -0.9105 -1.0075 -0.3855
+ 6402TIP3   OH220653   2.340   2.394   4.320  0.1310  0.0638  0.3929
+ 6402TIP3    H120654   2.323   2.348   4.237 -2.0320 -2.1021  1.9835
+ 6402TIP3    H220655   2.431   2.425   4.311  0.1315 -0.6002 -2.5485
+ 6403TIP3   OH220656   1.400   2.303   5.122  0.4469 -0.0184 -0.0099
+ 6403TIP3    H120657   1.429   2.351   5.044  2.1537 -0.7004  0.1888
+ 6403TIP3    H220658   1.449   2.221   5.120 -0.3819 -0.5657  1.1552
+ 6404TIP3   OH220659   1.835   3.725   6.645 -0.4238  0.1366  0.2651
+ 6404TIP3    H120660   1.805   3.785   6.577 -1.1162  1.6595  1.8795
+ 6404TIP3    H220661   1.778   3.742   6.719 -0.3559 -2.2543  0.8959
+ 6405TIP3   OH220662   2.707   3.822   4.799 -0.2852  0.5308 -0.1484
+ 6405TIP3    H120663   2.636   3.868   4.755 -0.2253  1.5520  0.7849
+ 6405TIP3    H220664   2.690   3.835   4.892  1.1551  0.8564  0.0815
+ 6406TIP3   OH220665   3.709   2.526   6.065 -0.3907 -0.2221 -0.2049
+ 6406TIP3    H120666   3.748   2.511   5.979 -1.5392 -0.9939 -0.6112
+ 6406TIP3    H220667   3.771   2.489   6.127  1.0782  1.5321 -0.5978
+ 6407TIP3   OH220668   2.962   6.248   6.556 -0.4610 -0.0736  0.2641
+ 6407TIP3    H120669   2.899   6.204   6.499 -0.7538  0.5645  0.0905
+ 6407TIP3    H220670   2.908   6.289   6.624  0.0612 -3.5769  2.9498
+ 6408TIP3   OH220671   4.042   3.694   4.781 -0.6066 -0.0179 -0.1502
+ 6408TIP3    H120672   4.032   3.781   4.743 -2.4881 -0.2718 -0.2964
+ 6408TIP3    H220673   4.131   3.694   4.817 -0.1374  1.5245 -1.2139
+ 6409TIP3   OH220674   1.680   2.767   6.116 -0.0859  0.0492 -0.0571
+ 6409TIP3    H120675   1.661   2.676   6.092 -0.0482 -0.0056  0.1216
+ 6409TIP3    H220676   1.761   2.788   6.070  0.1854 -0.1750  0.3258
+ 6410TIP3   OH220677   1.258   2.078   5.340 -0.2857  0.1068 -0.0902
+ 6410TIP3    H120678   1.230   1.996   5.380 -2.2806  0.8389  0.0824
+ 6410TIP3    H220679   1.234   2.069   5.248 -1.5830  0.9427  0.1563
+ 6411TIP3   OH220680   2.846   0.886   5.294  0.6629  0.6974  0.0158
+ 6411TIP3    H120681   2.898   0.838   5.358  0.7708  1.1241  0.2560
+ 6411TIP3    H220682   2.777   0.826   5.269  1.1905  0.1779 -0.1933
+ 6412TIP3   OH220683   2.533   0.568   3.193  0.2999  0.4143  0.5469
+ 6412TIP3    H120684   2.472   0.516   3.141 -0.7611  0.1922  1.9667
+ 6412TIP3    H220685   2.612   0.514   3.199  0.5286  0.5549 -1.0179
+ 6413TIP3   OH220686   3.538   1.445   5.797  0.1804  0.4386 -0.1895
+ 6413TIP3    H120687   3.595   1.518   5.772  0.6707 -0.0907 -0.6188
+ 6413TIP3    H220688   3.597   1.370   5.808 -0.6232 -0.5355 -2.3252
+ 6414TIP3   OH220689   3.634   2.046   5.760 -0.5298 -0.1322 -0.0680
+ 6414TIP3    H120690   3.632   1.954   5.787 -0.3034  0.0741  0.6508
+ 6414TIP3    H220691   3.605   2.094   5.838 -0.2771  0.4309 -0.3231
+ 6415TIP3   OH220692   3.363   2.234   4.248  0.1998 -0.2495 -0.0715
+ 6415TIP3    H120693   3.381   2.326   4.230 -0.0346 -0.1287  0.3076
+ 6415TIP3    H220694   3.359   2.228   4.344 -2.2008 -0.1640 -0.1275
+ 6416TIP3   OH220695   1.719   0.519   4.231 -0.3442  0.2835 -0.4797
+ 6416TIP3    H120696   1.729   0.511   4.326 -0.4270 -0.7507 -0.5581
+ 6416TIP3    H220697   1.806   0.500   4.196 -0.4964 -0.0816 -0.6575
+ 6417TIP3   OH220698   6.587   2.950   3.631 -0.7086  0.0886 -0.0079
+ 6417TIP3    H120699   6.672   2.919   3.660 -0.4296  2.1094  1.4205
+ 6417TIP3    H220700   6.583   3.041   3.659 -2.9515  0.3175 -0.9128
+ 6418TIP3   OH220701   2.216   2.260   4.070 -0.4434 -0.6148 -0.3958
+ 6418TIP3    H120702   2.278   2.278   4.000 -0.9697 -0.2053 -0.7657
+ 6418TIP3    H220703   2.193   2.168   4.059 -0.5037 -0.5585 -0.7543
+ 6419TIP3   OH220704   1.328   2.981   4.699  0.0744  0.3901  0.6301
+ 6419TIP3    H120705   1.372   2.897   4.685 -1.1430 -0.0756 -0.5512
+ 6419TIP3    H220706   1.234   2.960   4.692 -0.2117  2.1721 -1.7629
+ 6420TIP3   OH220707   1.047   3.121   4.497 -0.1083 -0.6683 -0.2353
+ 6420TIP3    H120708   1.127   3.173   4.511 -0.2019 -0.8349  0.9688
+ 6420TIP3    H220709   1.062   3.041   4.546 -1.1124 -0.6039  0.1864
+ 6421TIP3   OH220710   2.945   4.192   4.929  0.3523 -0.9524  0.2087
+ 6421TIP3    H120711   2.959   4.272   4.878  0.5525 -1.2705 -0.2490
+ 6421TIP3    H220712   2.850   4.184   4.937  0.3688  0.4123  2.0062
+ 6422TIP3   OH220713   3.244   5.364   4.808 -0.4773 -0.3145 -0.3236
+ 6422TIP3    H120714   3.318   5.325   4.854  0.2504  0.5418 -0.7568
+ 6422TIP3    H220715   3.284   5.420   4.741 -1.5219 -0.8968 -1.4369
+ 6423TIP3   OH220716   4.671   2.813   4.905 -0.0265 -0.1006  0.1583
+ 6423TIP3    H120717   4.674   2.831   4.999 -1.4433  1.1847 -0.0352
+ 6423TIP3    H220718   4.750   2.855   4.870 -0.5786  1.2007  0.4731
+ 6424TIP3   OH220719   4.572   2.890   6.391 -0.3331 -0.4267 -0.1896
+ 6424TIP3    H120720   4.487   2.928   6.414 -0.7124 -0.1248 -2.0139
+ 6424TIP3    H220721   4.593   2.832   6.465 -0.3850  2.2550  1.9998
+ 6425TIP3   OH220722   4.036   2.346   4.680  0.0361 -0.2085  0.1000
+ 6425TIP3    H120723   4.119   2.388   4.703 -1.1072  1.7672  0.8259
+ 6425TIP3    H220724   4.059   2.255   4.661  2.2046  0.0328  1.3672
+ 6426TIP3   OH220725   3.065   2.332   4.783 -0.1513  0.0846 -0.4217
+ 6426TIP3    H120726   3.073   2.364   4.693 -0.2202  1.9469  0.2213
+ 6426TIP3    H220727   3.082   2.238   4.776  1.9002  0.5333 -2.0808
+ 6427TIP3   OH220728   1.827   3.347   4.466  0.1830  0.2674 -0.2138
+ 6427TIP3    H120729   1.910   3.356   4.419  0.1049  1.3235 -0.1661
+ 6427TIP3    H220730   1.762   3.384   4.406 -0.2513 -0.4877 -0.2206
+ 6428TIP3   OH220731   3.794   3.144   6.873 -0.3090 -0.4539  0.1519
+ 6428TIP3    H120732   3.817   3.052   6.861 -1.4611 -0.6354 -0.8431
+ 6428TIP3    H220733   3.855   3.192   6.817  2.2040 -0.3586  2.8818
+ 6429TIP3   OH220734   1.076   3.586   4.534  0.2079 -0.0329 -0.0174
+ 6429TIP3    H120735   0.985   3.590   4.503 -0.5800  2.1166  2.3065
+ 6429TIP3    H220736   1.092   3.673   4.571  2.2722 -1.2734  2.1532
+ 6430TIP3   OH220737   1.088   6.861   5.665  0.6187 -0.4238 -0.3479
+ 6430TIP3    H120738   1.098   6.816   5.582  1.2515 -0.4993 -0.2308
+ 6430TIP3    H220739   1.119   6.950   5.649  0.6477 -0.4096 -0.2171
+ 6431TIP3   OH220740   1.432   0.356   4.219  0.3166 -0.7114 -0.3191
+ 6431TIP3    H120741   1.519   0.363   4.260  0.2279 -0.3073 -0.2010
+ 6431TIP3    H220742   1.442   0.396   4.133 -0.5618  2.2715  0.9195
+ 6432TIP3   OH220743   3.813   0.383   5.444  0.3989 -0.1155  0.7989
+ 6432TIP3    H120744   3.781   0.417   5.527  1.4304  1.0266  0.7437
+ 6432TIP3    H220745   3.734   0.378   5.389 -0.0297  0.6614  1.3269
+ 6433TIP3   OH220746   3.378   3.663   5.832  0.0213  0.0186 -0.2635
+ 6433TIP3    H120747   3.462   3.630   5.800  0.8766 -0.0395  1.9668
+ 6433TIP3    H220748   3.342   3.591   5.883 -0.4447  0.7514  0.4556
+ 6434TIP3   OH220749   2.447   1.334   3.073  0.8268  0.0954  0.0150
+ 6434TIP3    H120750   2.447   1.323   2.978 -2.9258 -0.7554  0.0575
+ 6434TIP3    H220751   2.491   1.256   3.106  0.6229 -0.4345 -0.9593
+ 6435TIP3   OH220752   1.179   0.087   3.359  0.6957  0.0981  0.3876
+ 6435TIP3    H120753   1.194   0.176   3.328  0.5705  0.5151  1.5170
+ 6435TIP3    H220754   1.266   0.049   3.366  0.6419 -0.6631 -2.3588
+ 6436TIP3   OH220755   3.741   3.314   6.496  0.3299 -0.1240  0.5335
+ 6436TIP3    H120756   3.763   3.221   6.485  0.5399  0.0578 -0.7148
+ 6436TIP3    H220757   3.786   3.357   6.423 -0.2531  0.8792  0.7702
+ 6437TIP3   OH220758   2.255   0.363   3.023  0.0940 -0.1918 -0.2997
+ 6437TIP3    H120759   2.263   0.458   3.025  2.5086 -0.3562  0.3650
+ 6437TIP3    H220760   2.199   0.341   3.098 -1.3565  0.7468 -1.0918
+ 6438TIP3   OH220761   2.480   0.349   3.833  0.7164 -0.1917 -0.1047
+ 6438TIP3    H120762   2.434   0.390   3.907  0.6187  1.0006 -0.8150
+ 6438TIP3    H220763   2.546   0.414   3.808  1.1027 -0.8259 -0.7177
+ 6439TIP3   OH220764   1.073   1.804   6.632 -0.2452 -0.1991 -0.2772
+ 6439TIP3    H120765   1.053   1.716   6.663  2.1234 -0.5418  0.3391
+ 6439TIP3    H220766   1.138   1.837   6.693 -0.5307  1.6929 -0.9631
+ 6440TIP3   OH220767   2.699   0.420   1.212  0.2356  0.0224 -0.4507
+ 6440TIP3    H120768   2.662   0.463   1.136  0.5270  0.4481 -0.3566
+ 6440TIP3    H220769   2.785   0.390   1.183  0.2091 -0.1127 -0.3893
+ 6441TIP3   OH220770   3.612   0.830   6.570 -0.2494  0.2181  0.0749
+ 6441TIP3    H120771   3.574   0.776   6.640 -0.3740 -0.1953 -0.3067
+ 6441TIP3    H220772   3.706   0.819   6.580 -0.1638  2.3148  1.8686
+ 6442TIP3   OH220773   2.708   4.475   6.613 -0.4483 -0.3267 -0.2112
+ 6442TIP3    H120774   2.687   4.402   6.555  0.2175  0.7241 -1.8060
+ 6442TIP3    H220775   2.804   4.481   6.610 -0.2814 -1.1900  2.1755
+ 6443TIP3   OH220776   5.165   2.976   3.782  0.3573  0.6199 -0.0464
+ 6443TIP3    H120777   5.094   3.035   3.806  0.9464  1.2635  0.1204
+ 6443TIP3    H220778   5.205   2.951   3.865 -0.2575 -0.5002 -0.0656
+ 6444TIP3   OH220779   4.113   3.475   5.392  0.2243  0.0967 -0.1883
+ 6444TIP3    H120780   4.193   3.461   5.442 -0.1944 -1.3094  0.1111
+ 6444TIP3    H220781   4.117   3.408   5.323 -1.0086 -0.3920  0.2189
+ 6445TIP3   OH220782   2.147   3.356   6.475  0.0450 -0.1742 -0.5305
+ 6445TIP3    H120783   2.133   3.261   6.478 -0.2382 -0.1503 -1.1172
+ 6445TIP3    H220784   2.083   3.392   6.537  1.1848 -0.4760  0.8545
+ 6446TIP3   OH220785   4.926   3.644   4.773 -0.3931 -0.7642  0.2668
+ 6446TIP3    H120786   4.878   3.686   4.702  0.3817 -0.0214  0.1673
+ 6446TIP3    H220787   4.931   3.712   4.841  1.3701 -0.4908 -0.1154
+ 6447TIP3   OH220788   6.304   4.163   4.196  0.0528  0.2694 -0.6349
+ 6447TIP3    H120789   6.382   4.184   4.143 -0.8728  1.4091 -1.5713
+ 6447TIP3    H220790   6.263   4.090   4.150  0.6964 -0.4745 -0.0188
+ 6448TIP3   OH220791   4.745   3.478   4.514  0.0714  0.8200 -0.0822
+ 6448TIP3    H120792   4.751   3.552   4.574 -1.5570 -0.0554  1.1814
+ 6448TIP3    H220793   4.656   3.445   4.524  0.0070  0.1831 -2.4180
+ 6449TIP3   OH220794   4.868   4.206   4.321  0.1014  0.5502  0.0439
+ 6449TIP3    H120795   4.836   4.296   4.314 -1.3023  0.0239 -0.4454
+ 6449TIP3    H220796   4.868   4.174   4.230 -2.0324 -0.8279  0.4984
+ 6450TIP3   OH220797   3.717   1.487   4.386  0.1668  0.6583  0.4666
+ 6450TIP3    H120798   3.723   1.470   4.480 -0.1311 -2.3583 -0.0231
+ 6450TIP3    H220799   3.807   1.479   4.354 -0.1123 -1.1557  0.0744
+ 6451TIP3   OH220800   3.331   2.163   4.510  0.4376  0.1243  0.0473
+ 6451TIP3    H120801   3.390   2.088   4.515  0.4451  0.1592  0.5166
+ 6451TIP3    H220802   3.254   2.138   4.560  0.0096  0.0461 -0.6425
+ 6452TIP3   OH220803   2.357   2.427   6.580 -0.2298 -0.0900 -0.2825
+ 6452TIP3    H120804   2.393   2.341   6.557  2.8836  0.4882  2.0156
+ 6452TIP3    H220805   2.356   2.475   6.497  1.9461 -1.0434 -0.9087
+ 6453TIP3   OH220806   3.442   1.066   3.186  0.4267  0.4364  0.3619
+ 6453TIP3    H120807   3.516   1.007   3.174  0.2202  0.1597  0.4412
+ 6453TIP3    H220808   3.381   1.042   3.117 -1.1821 -1.8007  2.4948
+ 6454TIP3   OH220809   0.045   3.352   4.941 -0.8720 -0.1089 -0.0531
+ 6454TIP3    H120810   0.014   3.333   5.030  1.4161 -0.7916  0.6282
+ 6454TIP3    H220811   0.051   3.448   4.938 -1.1232 -0.0737  0.4617
+ 6455TIP3   OH220812   1.285   2.035   6.291  0.1718  0.1810 -0.2654
+ 6455TIP3    H120813   1.347   2.043   6.364  2.7785  0.7526 -2.4523
+ 6455TIP3    H220814   1.258   1.943   6.293  2.3307 -0.4942 -0.1900
+ 6456TIP3   OH220815   4.667   2.810   5.613 -0.0767 -0.1282 -0.2517
+ 6456TIP3    H120816   4.636   2.854   5.692 -0.8235 -0.2656 -0.4612
+ 6456TIP3    H220817   4.599   2.745   5.594  0.2616 -0.3173 -0.8157
+ 6457TIP3   OH220818   4.044   1.514   4.579  0.0028  0.4137  0.6508
+ 6457TIP3    H120819   4.066   1.515   4.672  0.2142 -1.7121  0.6298
+ 6457TIP3    H220820   3.973   1.451   4.571 -0.4502  1.0566 -0.5337
+ 6458TIP3   OH220821   5.490   1.572   5.262  0.1172 -0.1632 -0.4776
+ 6458TIP3    H120822   5.568   1.590   5.314 -0.5641 -0.8721  0.8121
+ 6458TIP3    H220823   5.523   1.535   5.181  1.1464 -0.0248 -0.1216
+ 6459TIP3   OH220824   2.707   4.016   6.131 -0.8145 -0.2594  0.3181
+ 6459TIP3    H120825   2.654   3.984   6.204  1.3649 -0.9612  1.6618
+ 6459TIP3    H220826   2.791   4.039   6.171  0.2753 -0.2093 -1.9004
+ 6460TIP3   OH220827   5.321   3.555   5.427 -0.1924 -0.3370 -0.0228
+ 6460TIP3    H120828   5.298   3.641   5.462 -0.4285 -0.1015 -0.7534
+ 6460TIP3    H220829   5.376   3.574   5.351 -1.7340 -0.7853 -1.2825
+ 6461TIP3   OH220830   6.870   2.809   4.144 -0.2077  0.0206  0.0625
+ 6461TIP3    H120831   6.920   2.872   4.197 -0.5274 -1.0399  1.6463
+ 6461TIP3    H220832   6.815   2.763   4.207 -1.3755 -0.5407 -1.3504
+ 6462TIP3   OH220833   4.700   1.408   6.715  0.7609 -0.0282 -0.1995
+ 6462TIP3    H120834   4.672   1.496   6.688  0.2409  0.5179  2.0630
+ 6462TIP3    H220835   4.793   1.417   6.734  0.4400  0.3463  1.2437
+ 6463TIP3   OH220836   3.884   4.080   5.753  0.1212 -0.1197 -0.2116
+ 6463TIP3    H120837   3.913   4.017   5.687 -0.7660  0.6485 -1.3640
+ 6463TIP3    H220838   3.965   4.111   5.794  0.7576  0.0365 -1.5494
+ 6464TIP3   OH220839   5.179   4.259   4.379  0.6044  0.0145 -0.1200
+ 6464TIP3    H120840   5.265   4.219   4.370  0.2925 -0.6484 -0.2521
+ 6464TIP3    H220841   5.118   4.192   4.345 -0.0193  0.1561  0.6939
+ 6465TIP3   OH220842   5.226   3.366   0.473  0.1679  0.0558 -0.3964
+ 6465TIP3    H120843   5.223   3.459   0.451 -0.1208 -0.4069 -2.4548
+ 6465TIP3    H220844   5.138   3.334   0.454  0.5144 -0.8152 -0.5847
+ 6466TIP3   OH220845   6.379   2.098   4.285  0.7883  0.4781  0.0728
+ 6466TIP3    H120846   6.445   2.034   4.310  0.3170 -0.0393  0.0103
+ 6466TIP3    H220847   6.391   2.110   4.191 -0.3552 -0.9512 -0.2667
+ 6467TIP3   OH220848   4.588   2.143   0.325  0.1074 -0.0746 -0.1830
+ 6467TIP3    H120849   4.577   2.050   0.346  1.0490  0.2246  1.7793
+ 6467TIP3    H220850   4.539   2.188   0.393 -0.3475  0.8779 -1.1308
+ 6468TIP3   OH220851   5.670   3.723   4.965 -0.4618  0.0687 -0.4082
+ 6468TIP3    H120852   5.633   3.708   4.878  0.1906 -1.2908 -0.4745
+ 6468TIP3    H220853   5.743   3.661   4.971 -0.4564  0.1883  1.0774
+ 6469TIP3   OH220854   3.367   4.677   0.119 -0.3267  0.2922  0.7399
+ 6469TIP3    H120855   3.391   4.761   0.158  1.4572 -0.1212  0.5890
+ 6469TIP3    H220856   3.389   4.686   0.027  1.4298 -0.8817  1.0253
+ 6470TIP3   OH220857   4.687   2.148   4.819 -0.2564 -0.2062  0.2420
+ 6470TIP3    H120858   4.764   2.205   4.827 -1.0518  0.6047  2.6978
+ 6470TIP3    H220859   4.723   2.064   4.792  1.2524  0.7343 -0.7476
+ 6471TIP3   OH220860   4.312   3.042   4.705 -0.0122 -0.2530 -0.7754
+ 6471TIP3    H120861   4.288   2.950   4.697 -0.5208 -0.0836 -1.2326
+ 6471TIP3    H220862   4.392   3.041   4.758  1.0562 -1.1086 -2.3499
+ 6472TIP3   OH220863   6.340   3.744   5.342  0.3267  0.2945  0.0981
+ 6472TIP3    H120864   6.324   3.750   5.248 -3.1060 -0.0224  0.5839
+ 6472TIP3    H220865   6.295   3.820   5.379  0.4997 -0.3071  1.5911
+ 6473TIP3   OH220866   2.307   2.538   5.530  0.5322  0.1291  0.0635
+ 6473TIP3    H120867   2.340   2.511   5.444  1.3264  1.0368  0.0705
+ 6473TIP3    H220868   2.375   2.508   5.591  0.2303 -0.0273  0.3241
+ 6474TIP3   OH220869   3.556   3.057   5.051 -0.0799  0.3161 -0.4028
+ 6474TIP3    H120870   3.559   3.051   4.956 -0.1338 -1.5335 -0.3125
+ 6474TIP3    H220871   3.465   3.036   5.074  0.5320 -1.7832  0.1822
+ 6475TIP3   OH220872   4.938   3.407   0.394 -0.0733 -0.0082 -1.0283
+ 6475TIP3    H120873   4.880   3.483   0.400  0.3365  0.3868 -1.9106
+ 6475TIP3    H220874   4.900   3.342   0.453 -0.3424  0.9389 -0.1498
+ 6476TIP3   OH220875   3.788   3.079   5.812  0.8593  0.1592  0.4891
+ 6476TIP3    H120876   3.824   2.998   5.777  1.2483 -0.2051  1.6945
+ 6476TIP3    H220877   3.711   3.053   5.862  0.1753  0.6919 -0.2847
+ 6477TIP3   OH220878   3.495   4.445   6.442  0.1071  0.2835  0.5156
+ 6477TIP3    H120879   3.510   4.537   6.420 -0.0619 -0.2698 -2.0834
+ 6477TIP3    H220880   3.577   4.401   6.418 -0.5535 -0.5634 -0.2157
+ 6478TIP3   OH220881   4.586   0.723   4.542 -1.0911  0.1392 -0.2591
+ 6478TIP3    H120882   4.517   0.705   4.479 -1.4839  1.8099 -0.3311
+ 6478TIP3    H220883   4.656   0.661   4.521 -2.7754 -1.9566  0.1782
+ 6479TIP3   OH220884   5.629   4.008   4.746 -0.2039  0.2058 -0.1153
+ 6479TIP3    H120885   5.676   4.006   4.830 -0.3668 -0.3670 -0.0403
+ 6479TIP3    H220886   5.696   4.027   4.681  0.0375 -0.0464  0.0620
+ 6480TIP3   OH220887   4.877   2.086   5.037  0.2636 -0.1038 -0.1054
+ 6480TIP3    H120888   4.938   2.044   5.098  1.3238 -0.5595 -1.4485
+ 6480TIP3    H220889   4.815   2.017   5.014  0.1378 -0.0572  0.0880
+ 6481TIP3   OH220890   3.942   4.611   6.232 -0.8163 -0.4098 -0.6157
+ 6481TIP3    H120891   3.868   4.643   6.180 -1.6929 -0.6638  0.4603
+ 6481TIP3    H220892   3.902   4.551   6.296  0.4758 -1.5397 -0.8509
+ 6482TIP3   OH220893   6.521   1.945   5.581 -0.0790  0.0411 -0.1123
+ 6482TIP3    H120894   6.594   1.970   5.639 -0.2519 -1.5890  0.8364
+ 6482TIP3    H220895   6.560   1.885   5.518 -0.5553 -0.6586  0.2581
+ 6483TIP3   OH220896   4.132   3.990   5.383 -0.2243  0.1258  0.5650
+ 6483TIP3    H120897   4.098   4.001   5.294  2.4573  2.0519 -0.2883
+ 6483TIP3    H220898   4.187   3.912   5.378 -1.3535 -0.7099  0.9670
+ 6484TIP3   OH220899   4.238   2.988   6.014 -0.1062 -0.3361 -0.0260
+ 6484TIP3    H120900   4.284   3.072   6.019 -0.2509 -0.3359  1.4028
+ 6484TIP3    H220901   4.210   2.982   5.923  1.8272  0.1389 -0.6787
+ 6485TIP3   OH220902   3.108   3.848   5.558  0.4112 -0.4030  0.2094
+ 6485TIP3    H120903   3.070   3.909   5.621  1.0277  0.5873 -0.3592
+ 6485TIP3    H220904   3.034   3.803   5.518  0.0031 -0.7955  1.3966
+ 6486TIP3   OH220905   6.359   2.749   4.596 -0.1209  0.3266 -0.3521
+ 6486TIP3    H120906   6.292   2.682   4.586 -0.8028  1.1480 -1.3400
+ 6486TIP3    H220907   6.363   2.765   4.691 -1.3246  0.2999 -0.2987
+ 6487TIP3   OH220908   5.776   0.211   6.174 -0.4553  0.2404  0.3104
+ 6487TIP3    H120909   5.812   0.183   6.258 -0.2387 -1.7121 -0.4209
+ 6487TIP3    H220910   5.756   0.130   6.128  0.2562  1.2800 -1.8874
+ 6488TIP3   OH220911   4.222   2.541   4.868 -0.5890 -0.2411 -0.1532
+ 6488TIP3    H120912   4.277   2.514   4.794  1.3581  1.7704  0.4882
+ 6488TIP3    H220913   4.274   2.518   4.945 -1.0723  0.8551  0.5029
+ 6489TIP3   OH220914   5.271   0.112   3.655  0.3930  0.0941 -0.0135
+ 6489TIP3    H120915   5.297   0.130   3.565 -0.0036 -2.5439 -0.6811
+ 6489TIP3    H220916   5.354   0.096   3.701  0.4761 -0.2671 -0.2917
+ 6490TIP3   OH220917   4.238   3.109   5.477  0.2441  0.2771  0.5926
+ 6490TIP3    H120918   4.330   3.084   5.486  0.1173 -0.6075 -0.4677
+ 6490TIP3    H220919   4.240   3.204   5.464  1.0896  0.1103 -0.5678
+ 6491TIP3   OH220920   5.486   3.343   3.711  0.1882 -0.4543 -0.0398
+ 6491TIP3    H120921   5.476   3.339   3.616  2.9924 -1.1599 -0.3564
+ 6491TIP3    H220922   5.478   3.436   3.732 -0.2980 -0.2818 -0.9893
+ 6492TIP3   OH220923   4.593   3.602   6.197  0.2122 -0.1507 -0.1895
+ 6492TIP3    H120924   4.577   3.623   6.104 -4.0953  0.1599  0.5187
+ 6492TIP3    H220925   4.554   3.676   6.245  1.6869 -0.7079  1.9087
+ 6493TIP3   OH220926   6.425   2.304   3.861 -0.3369 -0.2957  0.7880
+ 6493TIP3    H120927   6.338   2.298   3.823  0.3674 -0.2726 -0.8769
+ 6493TIP3    H220928   6.426   2.387   3.909 -1.4126 -0.5980  1.3397
+ 6494TIP3   OH220929   2.679   2.941   5.799  0.2565 -0.0068 -0.0936
+ 6494TIP3    H120930   2.723   2.870   5.752  0.7322 -0.5347  1.1141
+ 6494TIP3    H220931   2.595   2.903   5.826 -0.1158  0.3702 -0.7223
+ 6495TIP3   OH220932   5.636   3.135   6.345  0.4177  0.2128 -0.2364
+ 6495TIP3    H120933   5.712   3.147   6.287 -0.2688 -0.5680 -1.3138
+ 6495TIP3    H220934   5.585   3.215   6.333  1.1249  0.7985  0.5876
+ 6496TIP3   OH220935   5.880   0.680   4.536  0.5593  0.0048 -0.4803
+ 6496TIP3    H120936   5.960   0.723   4.504  1.2370 -0.3150  0.7537
+ 6496TIP3    H220937   5.912   0.608   4.591 -0.5716 -1.5557 -1.8100
+ 6497TIP3   OH220938   4.092   3.143   4.931  0.7817  0.3500 -0.2524
+ 6497TIP3    H120939   4.183   3.148   4.903  0.3303  1.4754 -1.6041
+ 6497TIP3    H220940   4.048   3.212   4.881 -1.4397 -2.3146 -2.1976
+ 6498TIP3   OH220941   4.499   4.476   5.902  0.1203 -0.1846 -0.1253
+ 6498TIP3    H120942   4.540   4.522   5.975  0.8554 -0.3430 -0.4319
+ 6498TIP3    H220943   4.484   4.544   5.836 -2.4693  0.3586  0.9702
+ 6499TIP3   OH220944   4.665   3.114   6.926  0.0467  0.1632 -0.2978
+ 6499TIP3    H120945   4.655   3.040   6.866 -0.7637  1.5236 -1.8832
+ 6499TIP3    H220946   4.728   3.171   6.883  2.3212 -0.5539  1.9200
+ 6500TIP3   OH220947   5.828   2.766   5.057 -0.6222  0.1046  0.6758
+ 6500TIP3    H120948   5.816   2.682   5.100 -0.3471 -0.4359 -0.2863
+ 6500TIP3    H220949   5.746   2.782   5.011  0.1665 -0.8022 -1.1087
+ 6501TIP3   OH220950   4.800   3.119   5.552  0.3818  0.6359 -0.4802
+ 6501TIP3    H120951   4.880   3.130   5.500  1.8552 -0.9038  1.4005
+ 6501TIP3    H220952   4.812   3.035   5.597 -0.9266  1.8399  2.2143
+ 6502TIP3   OH220953   6.073   2.649   2.578 -0.8887 -0.2121  0.5623
+ 6502TIP3    H120954   6.144   2.594   2.614 -0.2858 -0.0534 -0.3657
+ 6502TIP3    H220955   5.996   2.592   2.581 -0.4975 -0.7528  0.5988
+ 6503TIP3   OH220956   4.666   1.953   5.531 -0.1904  0.3494 -0.3515
+ 6503TIP3    H120957   4.609   1.878   5.514  0.9474 -0.6003 -0.0286
+ 6503TIP3    H220958   4.615   2.029   5.503 -1.2785 -0.5599 -0.8608
+ 6504TIP3   OH220959   0.841   3.049   4.308  0.7713  0.0668 -0.2972
+ 6504TIP3    H120960   0.904   3.044   4.380  1.8748  0.4736 -1.2045
+ 6504TIP3    H220961   0.772   3.108   4.339  0.6098 -0.7435  0.8805
+ 6505TIP3   OH220962   3.912   4.165   4.704  0.0693 -0.1260 -0.9448
+ 6505TIP3    H120963   3.854   4.163   4.627  0.8851  1.3072 -1.6216
+ 6505TIP3    H220964   3.932   4.258   4.717  2.9036 -0.6385 -1.2679
+ 6506TIP3   OH220965   2.601   3.938   5.087 -0.0240  0.2099  0.1746
+ 6506TIP3    H120966   2.603   4.018   5.034  0.2834 -0.7702 -1.3158
+ 6506TIP3    H220967   2.693   3.921   5.110  0.2125 -1.0930 -1.6417
+ 6507TIP3   OH220968   2.651   3.696   6.410  0.1045 -0.3276  0.0350
+ 6507TIP3    H120969   2.584   3.756   6.377  0.5292 -0.7421 -1.6301
+ 6507TIP3    H220970   2.619   3.670   6.496 -1.5894 -0.0748 -0.4975
+ 6508TIP3   OH220971   4.767   3.438   5.666 -0.4399 -0.0360 -0.4428
+ 6508TIP3    H120972   4.789   3.427   5.573  0.8262 -0.0406 -0.1551
+ 6508TIP3    H220973   4.769   3.533   5.680 -0.4588 -0.0455 -0.3772
+ 6509TIP3   OH220974   5.977   2.843   2.072  0.8735  0.0001  0.8910
+ 6509TIP3    H120975   5.903   2.786   2.052  0.3474  0.5559  1.2299
+ 6509TIP3    H220976   6.038   2.788   2.120  0.2972 -0.2324  1.3593
+ 6510TIP3   OH220977   6.263   4.781   4.887  0.1688 -0.0131  0.0506
+ 6510TIP3    H120978   6.317   4.706   4.913 -0.1465  0.3266  1.7532
+ 6510TIP3    H220979   6.324   4.854   4.881  0.3605 -0.2456 -0.9124
+ 6511TIP3   OH220980   4.776   4.083   4.532  0.0316 -0.0891 -0.4500
+ 6511TIP3    H120981   4.804   4.091   4.440  0.9828  0.8348 -0.0941
+ 6511TIP3    H220982   4.763   4.174   4.560  2.2007 -0.2264  1.0809
+ 6512TIP3   OH220983   4.542   3.295   4.971 -0.1228  0.0524 -0.3484
+ 6512TIP3    H120984   4.559   3.208   4.934  0.3024  0.1051 -0.2779
+ 6512TIP3    H220985   4.568   3.287   5.063 -1.3362 -0.1261 -0.0128
+ 6513TIP3   OH220986   5.851   2.107   6.000  0.3107  0.1483 -1.1657
+ 6513TIP3    H120987   5.852   2.012   6.003  1.0533  0.1341 -1.8350
+ 6513TIP3    H220988   5.771   2.129   5.954  0.5593 -0.1754 -1.7562
+ 6514TIP3   OH220989   6.681   4.356   4.300 -0.3878 -0.3843  0.3692
+ 6514TIP3    H120990   6.700   4.420   4.368  0.7959  0.6801 -0.9339
+ 6514TIP3    H220991   6.634   4.285   4.346  0.5082  0.2326  2.2980
+ 6515TIP3   OH220992   0.092   3.206   5.408 -0.2040 -0.0088  0.4504
+ 6515TIP3    H120993   0.094   3.215   5.503  2.1800 -0.0294  0.4552
+ 6515TIP3    H220994   0.133   3.121   5.392  0.8667  0.6966 -0.6481
+ 6516TIP3   OH220995   5.978   5.266   4.526 -0.8898 -0.2245 -0.3338
+ 6516TIP3    H120996   6.030   5.287   4.604 -1.1662  0.1437 -0.2458
+ 6516TIP3    H220997   5.890   5.298   4.547 -0.5052  1.7154 -1.5775
+ 6517TIP3   OH220998   0.616   1.979   3.776  0.2383 -0.1624  0.1590
+ 6517TIP3    H120999   0.701   1.941   3.799  0.8168  0.2446 -1.2452
+ 6517TIP3    H221000   0.582   1.923   3.707 -0.5062 -0.1395  0.4983
+ 6518TIP3   OH221001   4.631   0.225   6.736  0.0427 -0.4424  0.2556
+ 6518TIP3    H121002   4.591   0.139   6.752  0.5163 -0.9238 -1.0941
+ 6518TIP3    H221003   4.578   0.286   6.787 -0.3470 -1.5273  1.1617
+ 6519TIP3   OH221004   3.911   3.129   6.091  0.3065  0.2751  0.1822
+ 6519TIP3    H121005   3.851   3.144   6.017  1.4493  1.1008 -0.5918
+ 6519TIP3    H221006   3.981   3.075   6.055  0.2919 -0.2619  0.9526
+ 6520TIP3   OH221007   2.984   5.337   5.405  0.1025 -0.1180 -0.1023
+ 6520TIP3    H121008   3.018   5.424   5.385  1.1440 -0.4548  0.1523
+ 6520TIP3    H221009   2.923   5.318   5.334  0.7084  0.3678 -0.7613
+ 6521TIP3   OH221010   6.082   1.568   6.100 -0.4235  0.0170 -0.0190
+ 6521TIP3    H121011   6.047   1.550   6.013 -1.5094 -0.3933  0.4948
+ 6521TIP3    H221012   6.010   1.546   6.160  0.3444  0.2055  0.9831
+ 6522TIP3   OH221013   4.701   1.887   5.135  0.3562 -0.0420  0.1595
+ 6522TIP3    H121014   4.712   1.804   5.090  0.0051 -0.2488  0.4495
+ 6522TIP3    H221015   4.662   1.863   5.220 -0.0788  0.4458  0.1011
+ 6523TIP3   OH221016   4.459   1.382   4.604  0.8262 -0.2927 -0.0864
+ 6523TIP3    H121017   4.430   1.441   4.674  1.5995 -0.4436  0.3671
+ 6523TIP3    H221018   4.435   1.428   4.523  1.4936  0.6880  0.2615
+ 6524TIP3   OH221019   5.569   3.072   4.533  0.1280 -1.1239  0.8127
+ 6524TIP3    H121020   5.638   3.075   4.466  0.5082 -2.9542  1.0966
+ 6524TIP3    H221021   5.581   3.153   4.583  0.2520 -0.0421 -0.9262
+ 6525TIP3   OH221022   4.697   0.209   4.125 -0.6855  0.4160  0.4604
+ 6525TIP3    H121023   4.658   0.191   4.211 -0.8202 -0.2956  0.2561
+ 6525TIP3    H221024   4.712   0.303   4.125  1.6416  0.0948  2.2372
+ 6526TIP3   OH221025   0.716   3.022   3.270 -0.2783 -0.6393  0.0851
+ 6526TIP3    H121026   0.771   3.003   3.194  1.6642 -0.4316  1.3883
+ 6526TIP3    H221027   0.759   3.097   3.312 -1.7295 -0.2965  0.9818
+ 6527TIP3   OH221028   3.722   3.829   4.584 -0.0691 -0.8069 -0.1351
+ 6527TIP3    H121029   3.628   3.845   4.584 -0.1017 -1.0156  0.3936
+ 6527TIP3    H221030   3.760   3.912   4.554 -0.3383 -0.2251  1.0966
+ 6528TIP3   OH221031   3.059   1.632   5.977 -0.6667  0.1485  0.1479
+ 6528TIP3    H121032   3.041   1.538   5.984 -3.7821  0.7014  0.2257
+ 6528TIP3    H221033   2.984   1.674   6.019  1.1519  2.6869  0.9780
+ 6529TIP3   OH221034   1.217   4.253   6.486  0.1998 -0.2037 -0.2917
+ 6529TIP3    H121035   1.158   4.285   6.418 -1.7552  1.2981  2.0253
+ 6529TIP3    H221036   1.279   4.325   6.499 -1.9917  1.2916  2.3814
+ 6530TIP3   OH221037   0.925   4.078   5.407 -0.0561  0.4921 -0.9573
+ 6530TIP3    H121038   0.919   4.157   5.460  0.4596  0.4090 -0.7698
+ 6530TIP3    H221039   1.014   4.080   5.371 -0.5126  0.7113 -2.0669
+ 6531TIP3   OH221040   3.215   2.735   5.999 -0.5801 -0.0917  0.5618
+ 6531TIP3    H121041   3.234   2.641   6.008  0.0210  0.0219  0.5030
+ 6531TIP3    H221042   3.269   2.777   6.066  0.0668  0.3107 -0.2006
+ 6532TIP3   OH221043   6.238   4.370   4.372  0.4563 -0.1836 -0.4734
+ 6532TIP3    H121044   6.230   4.299   4.309  1.2796 -0.1621 -0.6071
+ 6532TIP3    H221045   6.264   4.446   4.319  1.7136 -0.2992 -0.0489
+ 6533TIP3   OH221046   5.111   4.315   6.212  0.3299  0.0258  0.3322
+ 6533TIP3    H121047   5.133   4.249   6.146  1.4873  1.3457 -0.6324
+ 6533TIP3    H221048   5.043   4.274   6.266  0.2723 -1.5402 -0.9114
+ 6534TIP3   OH221049   5.273   4.330   0.174  0.0338  0.3714  0.1711
+ 6534TIP3    H121050   5.257   4.236   0.169 -0.7827  0.5609 -1.0094
+ 6534TIP3    H221051   5.368   4.338   0.183  0.2585 -0.5109 -1.3283
+ 6535TIP3   OH221052   5.222   3.145   6.099 -0.1110  0.5899  0.2478
+ 6535TIP3    H121053   5.190   3.168   6.012  0.6221  1.8935  0.3079
+ 6535TIP3    H221054   5.277   3.219   6.125  1.0394 -0.5373  1.1191
+ 6536TIP3   OH221055   5.239   2.255   6.038  0.3851 -0.5037 -0.5406
+ 6536TIP3    H121056   5.151   2.237   6.005  0.0603 -1.3885  0.7814
+ 6536TIP3    H221057   5.258   2.182   6.096  0.8185  1.1472  1.4628
+ 6537TIP3   OH221058   4.345   2.732   5.877  0.7278 -0.2545 -0.0671
+ 6537TIP3    H121059   4.321   2.811   5.926  0.5039  0.6446 -1.5710
+ 6537TIP3    H221060   4.387   2.675   5.941 -0.8765  0.2744  1.4825
+ 6538TIP3   OH221061   4.925   3.129   5.164  0.4762  0.0929 -0.6773
+ 6538TIP3    H121062   4.962   3.175   5.240 -0.4112  0.6853 -0.5890
+ 6538TIP3    H221063   4.969   3.166   5.089  1.3825 -0.5140 -0.4526
+ 6539TIP3   OH221064   6.067   5.515   5.033 -0.0389 -0.2968  0.2478
+ 6539TIP3    H121065   6.041   5.564   5.110 -0.8310  0.1475 -0.2935
+ 6539TIP3    H221066   6.015   5.553   4.962  0.8195 -0.5746 -0.5328
+ 6540TIP3   OH221067   5.894   1.840   6.016 -0.1781 -0.0461 -0.3602
+ 6540TIP3    H121068   5.866   1.748   6.017  1.6810 -0.6303 -0.1994
+ 6540TIP3    H221069   5.884   1.869   6.107 -1.1169  0.0327 -0.4833
+ 6541TIP3   OH221070   2.808   2.472   0.159 -0.1056 -0.4262 -0.0771
+ 6541TIP3    H121071   2.891   2.485   0.205  0.3171 -2.2423 -0.2802
+ 6541TIP3    H221072   2.818   2.520   0.077  0.3639  0.1976  0.3456
+ 6542TIP3   OH221073   2.665   5.622   0.235  0.1004  0.0542  0.4549
+ 6542TIP3    H121074   2.720   5.544   0.227 -2.6171 -2.2733  2.8912
+ 6542TIP3    H221075   2.608   5.619   0.158 -1.0495 -1.3011  1.3362
+ 6543TIP3   OH221076   5.038   2.541   4.310  0.1896 -0.3301 -0.3101
+ 6543TIP3    H121077   5.058   2.623   4.354  2.6829 -0.4531 -1.1314
+ 6543TIP3    H221078   5.020   2.479   4.381 -2.0074  0.9809  0.2925
+ 6544TIP3   OH221079   6.496   3.142   5.080  0.3117  0.4092 -0.1796
+ 6544TIP3    H121080   6.494   3.070   5.142 -1.6297  1.1396  0.6551
+ 6544TIP3    H221081   6.538   3.214   5.127 -1.1068  0.9456  0.2805
+ 6545TIP3   OH221082   4.162   3.026   5.757  0.1559  0.1414 -0.8358
+ 6545TIP3    H121083   4.173   3.063   5.669 -2.3717  0.3431 -1.1136
+ 6545TIP3    H221084   4.074   2.988   5.756 -0.1972  0.7996  1.8637
+ 6546TIP3   OH221085   6.341   0.957   6.209  0.1523 -0.2655  0.2183
+ 6546TIP3    H121086   6.293   1.016   6.267  0.9446  0.5520  0.0546
+ 6546TIP3    H221087   6.361   1.010   6.132  0.1935 -0.9784 -0.2649
+ 6547TIP3   OH221088   5.710   6.878   6.051 -0.2612 -0.4881  0.5875
+ 6547TIP3    H121089   5.788   6.827   6.031  0.2520  0.8590 -0.9052
+ 6547TIP3    H221090   5.640   6.835   6.003 -0.4651 -1.7138  1.9475
+ 6548TIP3   OH221091   0.366   1.944   4.984  0.3726  0.0678  0.1525
+ 6548TIP3    H121092   0.344   1.859   5.021  0.8042 -0.1896 -0.1834
+ 6548TIP3    H221093   0.288   1.969   4.933 -0.5170  0.7592  1.8128
+ 6549TIP3   OH221094   4.925   2.010   6.537 -0.2504 -0.6013 -0.4038
+ 6549TIP3    H121095   4.904   1.920   6.514 -0.9422 -0.7544  0.7701
+ 6549TIP3    H221096   4.840   2.051   6.553  0.1514 -0.2908  1.0273
+ 6550TIP3   OH221097   4.269   0.896   4.758 -0.5464  0.0317  0.3933
+ 6550TIP3    H121098   4.255   0.980   4.714 -0.3217 -1.4371 -2.6653
+ 6550TIP3    H221099   4.317   0.844   4.693 -0.6586 -2.4437  2.2480
+ 6551TIP3   OH221100   5.246   0.794   5.207 -0.7221  0.1465 -0.2854
+ 6551TIP3    H121101   5.261   0.763   5.296  0.3777  0.1929 -0.4481
+ 6551TIP3    H221102   5.309   0.865   5.194 -0.8758  0.1476 -1.1022
+ 6552TIP3   OH221103   0.520   3.597   6.226 -0.9181 -0.0301 -0.2157
+ 6552TIP3    H121104   0.597   3.653   6.228 -2.2794  1.9037 -0.0306
+ 6552TIP3    H221105   0.527   3.543   6.304  0.8441 -0.7103 -0.8312
+ 6553TIP3   OH221106   5.576   0.460   4.151 -0.3579 -0.0664 -0.3404
+ 6553TIP3    H121107   5.585   0.381   4.097 -0.3206  1.0554 -2.0103
+ 6553TIP3    H221108   5.662   0.501   4.150  0.1201 -0.9408  2.0573
+ 6554TIP3   OH221109   6.374   4.560   5.102  0.3465  0.3867 -0.0533
+ 6554TIP3    H121110   6.416   4.480   5.071 -0.4771 -1.0849  2.4869
+ 6554TIP3    H221111   6.440   4.601   5.158 -0.1365  0.1185  0.7295
+ 6555TIP3   OH221112   6.223   5.190   2.624  0.3147  0.1317  0.0085
+ 6555TIP3    H121113   6.264   5.259   2.572 -0.0926  0.0931 -0.3610
+ 6555TIP3    H221114   6.137   5.225   2.648  0.3761  0.0236  0.3885
+ 6556TIP3   OH221115   3.068   5.390   5.898 -0.1335 -0.0286  0.4703
+ 6556TIP3    H121116   3.008   5.396   5.823  1.4335  2.1503 -0.6600
+ 6556TIP3    H221117   3.031   5.450   5.962  0.2545  0.5431  0.1679
+ 6557TIP3   OH221118   4.468   5.405   6.899  0.0352 -0.5501  0.1989
+ 6557TIP3    H121119   4.529   5.332   6.904  1.7545  0.5406 -3.5780
+ 6557TIP3    H221120   4.401   5.376   6.836 -0.5304  0.2516  0.4215
+ 6558TIP3   OH221121   0.052   2.737   5.927 -0.7220  0.3107  0.4836
+ 6558TIP3    H121122  -0.024   2.737   5.986 -0.3284  1.0620  1.0120
+ 6558TIP3    H221123   0.125   2.766   5.983 -0.1222 -0.0586 -0.1042
+ 6559TIP3   OH221124   4.476   4.203   5.157  0.2239  0.2557  0.0902
+ 6559TIP3    H121125   4.494   4.159   5.241 -0.3653 -1.4499 -0.6542
+ 6559TIP3    H221126   4.542   4.272   5.151  1.4273 -0.7857  1.1106
+ 6560TIP3   OH221127   0.639   1.671   5.838 -0.2688  0.1517  0.1191
+ 6560TIP3    H121128   0.584   1.654   5.761  1.3316 -0.2146 -0.9818
+ 6560TIP3    H221129   0.579   1.668   5.912 -1.5661 -1.2002 -0.9531
+ 6561TIP3   OH221130   4.224   2.811   4.802  0.2948 -0.5604 -0.0199
+ 6561TIP3    H121131   4.228   2.799   4.897  0.2592 -0.8870 -0.0586
+ 6561TIP3    H221132   4.220   2.722   4.767 -0.9808 -0.3979 -0.2804
+ 6562TIP3   OH221133   4.981   2.370   4.515  0.5623  0.0799 -0.1109
+ 6562TIP3    H121134   5.066   2.326   4.505  0.0598 -1.3774  1.6715
+ 6562TIP3    H221135   4.987   2.414   4.600 -0.4786 -0.1272  0.0821
+ 6563TIP3   OH221136   5.062   4.461   0.067  0.3883 -0.6284 -0.3770
+ 6563TIP3    H121137   5.122   4.388   0.078 -0.5399 -1.2985  0.2675
+ 6563TIP3    H221138   4.978   4.421   0.044  0.1072  0.2779 -0.9841
+ 6564TIP3   OH221139   1.646   2.349   4.628  0.1026 -0.2665 -1.0082
+ 6564TIP3    H121140   1.592   2.410   4.578  2.1561  1.7385 -0.8235
+ 6564TIP3    H221141   1.699   2.304   4.562  1.1168  0.6876 -0.8508
+ 6565TIP3   OH221142   6.729   2.488   4.150 -0.4659  0.4686 -0.4399
+ 6565TIP3    H121143   6.788   2.495   4.075 -0.2426  0.1000 -0.2987
+ 6565TIP3    H221144   6.721   2.394   4.166 -0.1925  0.5655  0.2539
+ 6566TIP3   OH221145   5.981   3.678   4.752  0.4421  0.3372  0.3424
+ 6566TIP3    H121146   6.041   3.641   4.687 -0.6529  0.8539 -0.9756
+ 6566TIP3    H221147   5.894   3.656   4.721 -0.0843 -0.1363  2.0873
+ 6567TIP3   OH221148   4.277   2.613   6.895 -0.7219 -0.2750  0.0129
+ 6567TIP3    H121149   4.308   2.691   6.941 -1.9237  0.0502  0.2940
+ 6567TIP3    H221150   4.235   2.646   6.816  0.6871 -0.7897 -0.9571
+ 6568TIP3   OH221151   0.116   3.310   6.357 -0.5027 -0.0145  0.2547
+ 6568TIP3    H121152   0.123   3.327   6.451 -2.3605  0.4469  0.3215
+ 6568TIP3    H221153   0.206   3.316   6.326  0.3034 -1.4329  2.2052
+ 6569TIP3   OH221154   3.296   1.475   6.898  0.2178  0.4125 -0.2790
+ 6569TIP3    H121155   3.372   1.439   6.851  0.0646 -0.0800 -0.1478
+ 6569TIP3    H221156   3.220   1.444   6.848  0.0294 -0.5704  0.6018
+ 6570TIP3   OH221157   5.422   1.563   4.321 -0.5233  0.1913 -0.1614
+ 6570TIP3    H121158   5.366   1.610   4.259  0.4039  1.1516 -0.2929
+ 6570TIP3    H221159   5.481   1.510   4.266 -1.9423 -1.6011 -0.0011
+ 6571TIP3   OH221160   6.466   3.925   4.379 -0.4069 -0.1410 -0.2038
+ 6571TIP3    H121161   6.553   3.889   4.361 -0.6894 -0.1946 -1.5115
+ 6571TIP3    H221162   6.477   4.020   4.371 -0.6803 -0.1976 -1.4074
+ 6572TIP3   OH221163   4.252   2.191   4.963 -0.3386  0.4185  0.1147
+ 6572TIP3    H121164   4.237   2.211   5.055 -1.8144  2.2067 -0.4722
+ 6572TIP3    H221165   4.331   2.138   4.962  0.1456  1.0626  2.3349
+ 6573TIP3   OH221166   4.980   2.570   5.145  0.3341  0.6431 -0.1609
+ 6573TIP3    H121167   4.934   2.538   5.068 -1.2646  2.3473  0.0520
+ 6573TIP3    H221168   5.069   2.537   5.135 -0.2130 -0.3474 -2.0127
+ 6574TIP3   OH221169   4.927   1.312   5.892 -0.6223  0.2166  0.5140
+ 6574TIP3    H121170   4.954   1.285   5.804 -1.9999  0.3178  0.0444
+ 6574TIP3    H221171   4.908   1.405   5.883  1.1801  0.6848  1.4078
+ 6575TIP3   OH221172   5.251   0.835   3.075  0.2948  0.3868 -0.6650
+ 6575TIP3    H121173   5.322   0.896   3.056  0.8905 -0.2298 -0.4516
+ 6575TIP3    H221174   5.173   0.876   3.038  0.4607  1.8520  0.5532
+ 6576TIP3   OH221175   6.290   3.305   5.612 -0.7783 -0.3254 -0.2979
+ 6576TIP3    H121176   6.277   3.210   5.622 -0.9183 -0.4952 -1.8993
+ 6576TIP3    H221177   6.244   3.326   5.531  0.1126  0.9495 -0.4738
+ 6577TIP3   OH221178   3.016   0.974   4.173 -0.2128 -0.0151  0.4848
+ 6577TIP3    H121179   2.989   1.030   4.245 -0.6217  0.3370  0.0616
+ 6577TIP3    H221180   3.108   0.997   4.157  0.1668 -0.7846  1.5297
+ 6578TIP3   OH221181   3.901   4.507   5.438 -0.4175  0.2269 -0.1405
+ 6578TIP3    H121182   3.956   4.558   5.379 -0.8410  0.6962 -0.1298
+ 6578TIP3    H221183   3.939   4.419   5.437 -0.0912  0.3759 -0.6787
+ 6579TIP3   OH221184   3.705   5.979   5.622  0.6464  0.0616 -0.5552
+ 6579TIP3    H121185   3.706   5.917   5.549 -0.2262  0.4067 -0.8732
+ 6579TIP3    H221186   3.740   5.930   5.696  2.7011  0.0735 -1.4746
+ 6580TIP3   OH221187   5.269   3.590   4.779  0.0736 -0.6451  0.3672
+ 6580TIP3    H121188   5.182   3.596   4.739  0.2020  1.4162  0.3519
+ 6580TIP3    H221189   5.253   3.599   4.873  0.3155  0.3056  0.3214
+ 6581TIP3   OH221190   4.837   5.026   6.287 -0.5742  0.3053  0.6646
+ 6581TIP3    H121191   4.821   5.112   6.326  1.5284  0.6117  0.8699
+ 6581TIP3    H221192   4.903   4.986   6.344 -0.4855 -0.8680 -0.2573
+ 6582TIP3   OH221193   6.559   0.871   6.341 -0.0567 -0.1925 -0.2154
+ 6582TIP3    H121194   6.536   0.779   6.345 -0.6812 -0.0389 -0.1876
+ 6582TIP3    H221195   6.491   0.911   6.287  1.7767 -0.2179 -2.6383
+ 6583TIP3   OH221196   2.572   6.332   6.915 -0.4574  0.1443 -0.1252
+ 6583TIP3    H121197   2.573   6.272   6.841 -1.3372 -0.8020  0.6251
+ 6583TIP3    H221198   2.563   6.419   6.876 -1.2995 -0.3879 -1.0953
+ 6584TIP3   OH221199   4.545   4.142   5.641 -0.2694 -0.3738 -0.0538
+ 6584TIP3    H121200   4.613   4.138   5.709  0.9525 -0.0950 -1.2190
+ 6584TIP3    H221201   4.581   4.089   5.569 -0.9982  0.3166 -0.9365
+ 6585TIP3   OH221202   4.172   3.516   6.034 -0.2726 -0.3987  0.0550
+ 6585TIP3    H121203   4.192   3.565   6.113 -0.5397 -0.9513  0.4730
+ 6585TIP3    H221204   4.190   3.576   5.962  0.0855  0.0656  0.5347
+ 6586TIP3   OH221205   5.868   3.623   6.107 -0.4715 -0.0266  0.3108
+ 6586TIP3    H121206   5.919   3.556   6.063 -1.4720  0.9176 -2.3504
+ 6586TIP3    H221207   5.792   3.637   6.051 -1.3952  1.7808  1.9356
+ 6587TIP3   OH221208   1.769   3.181   5.907 -0.3217 -0.1358  0.2288
+ 6587TIP3    H121209   1.827   3.193   5.832 -0.9452 -1.8166 -0.5373
+ 6587TIP3    H221210   1.688   3.147   5.869 -1.2716  0.7223  1.4654
+ 6588TIP3   OH221211   5.459   1.849   5.009 -0.4692  0.4870 -0.0217
+ 6588TIP3    H121212   5.440   1.775   4.952  1.0908 -1.5064  1.9844
+ 6588TIP3    H221213   5.553   1.861   5.003 -0.7427  2.6907 -0.7022
+ 6589TIP3   OH221214   3.561   3.174   6.080  0.8448 -0.2118  0.5306
+ 6589TIP3    H121215   3.472   3.198   6.052  2.0800  0.8756 -2.7562
+ 6589TIP3    H221216   3.576   3.089   6.039  0.5694 -1.4808  2.9487
+ 6590TIP3   OH221217   5.211   1.443   4.796 -0.4379 -0.1125 -0.2304
+ 6590TIP3    H121218   5.195   1.460   4.703  0.5026  0.4711 -0.2848
+ 6590TIP3    H221219   5.149   1.373   4.818  0.2483 -1.1945 -1.6179
+ 6591TIP3   OH221220   6.022   1.884   2.743 -0.1454  0.3261  0.9607
+ 6591TIP3    H121221   6.079   1.946   2.789  0.0748  0.6243  0.2885
+ 6591TIP3    H221222   6.051   1.798   2.775  1.6810  0.3774 -0.4639
+ 6592TIP3   OH221223   4.869   3.817   6.485  0.3469  0.3591 -0.1206
+ 6592TIP3    H121224   4.961   3.835   6.501  0.6450  0.5830 -1.9740
+ 6592TIP3    H221225   4.864   3.722   6.475  0.1720  0.2262  1.1047
+ 6593TIP3   OH221226   6.235   2.675   4.044  0.1955  0.0114 -0.2481
+ 6593TIP3    H121227   6.276   2.743   3.990  1.9761 -1.4209 -0.7448
+ 6593TIP3    H221228   6.298   2.604   4.045 -0.7941 -0.8779  1.9057
+ 6594TIP3   OH221229   4.668   5.595   2.553  0.0300 -0.0580 -0.1338
+ 6594TIP3    H121230   4.650   5.683   2.520 -1.2320 -0.3442 -0.2463
+ 6594TIP3    H221231   4.590   5.544   2.529  2.4670 -2.3079 -3.8627
+ 6595TIP3   OH221232   3.343   1.051   4.539  0.8274  0.0160  0.4190
+ 6595TIP3    H121233   3.307   1.122   4.591 -2.0030 -0.5515 -0.6699
+ 6595TIP3    H221234   3.362   0.981   4.602 -0.6839  0.0703  0.9555
+ 6596TIP3   OH221235   4.163   1.089   3.191 -0.1176  0.1497  0.3342
+ 6596TIP3    H121236   4.242   1.055   3.233  2.1511  1.2096 -2.8272
+ 6596TIP3    H221237   4.125   1.013   3.147 -0.6377 -0.2767  1.5065
+ 6597TIP3   OH221238   3.401   1.415   3.148  0.2583 -0.2303  0.0669
+ 6597TIP3    H121239   3.364   1.328   3.131  0.3305  0.3710 -3.5284
+ 6597TIP3    H221240   3.325   1.470   3.168  0.2040 -1.0345  2.2391
+ 6598TIP3   OH221241   4.430   2.271   3.711  0.3250 -0.0995  0.4733
+ 6598TIP3    H121242   4.366   2.325   3.757 -1.3917 -1.6344 -0.0523
+ 6598TIP3    H221243   4.514   2.296   3.749 -0.4356  2.7375  0.4073
+ 6599TIP3   OH221244   2.104   1.482   3.422  0.3365  0.6830 -0.2150
+ 6599TIP3    H121245   2.047   1.545   3.378 -0.4941 -0.1584 -0.3670
+ 6599TIP3    H221246   2.125   1.418   3.354 -0.8622 -0.5615  0.5643
+ 6600TIP3   OH221247   6.033   1.706   5.163 -0.0013 -0.0203  0.5539
+ 6600TIP3    H121248   6.017   1.801   5.166 -1.9750 -0.3456  2.6116
+ 6600TIP3    H221249   5.972   1.674   5.097  1.8602  0.3057 -1.3716
+ 6601TIP3   OH221250   3.014   2.442   5.703 -0.5935  0.7796 -0.0567
+ 6601TIP3    H121251   3.105   2.446   5.733 -0.7882  0.2740  0.6011
+ 6601TIP3    H221252   3.020   2.447   5.607 -0.0841  4.4064  0.0958
+ 6602TIP3   OH221253   5.047   1.111   4.591  0.6608  0.0944  0.2410
+ 6602TIP3    H121254   5.075   1.119   4.683  1.1003  0.7080  0.0581
+ 6602TIP3    H221255   4.966   1.163   4.586  1.0545  0.7007  0.1066
+ 6603TIP3   OH221256   5.018   4.256   4.990  0.2588 -0.8130 -0.1494
+ 6603TIP3    H121257   5.101   4.254   4.942  1.1257  0.5479  1.2562
+ 6603TIP3    H221258   5.043   4.252   5.082 -1.1520  0.9165  0.3421
+ 6604TIP3   OH221259   0.780   3.893   0.032  0.6111 -0.7867 -0.2979
+ 6604TIP3    H121260   0.818   3.897   0.119 -1.1286 -1.5771  0.5266
+ 6604TIP3    H221261   0.742   3.805   0.026  0.0221 -0.4606 -1.5424
+ 6605TIP3   OH221262   5.709   1.282   5.980 -0.6823  0.2207  0.3097
+ 6605TIP3    H121263   5.618   1.305   5.959 -0.8653  0.6320  1.4615
+ 6605TIP3    H221264   5.705   1.191   6.007 -0.6794  0.0981 -0.1107
+ 6606TIP3   OH221265   0.782   1.552   2.337  0.0960 -0.5867 -0.0140
+ 6606TIP3    H121266   0.791   1.479   2.398 -1.4943  1.2945  2.5820
+ 6606TIP3    H221267   0.740   1.514   2.259  0.1060 -2.5995  0.9458
+ 6607TIP3   OH221268   6.552   2.691   6.358  0.4031  0.4968  0.3823
+ 6607TIP3    H121269   6.568   2.783   6.381  0.3586  1.1485 -2.0361
+ 6607TIP3    H221270   6.479   2.665   6.414  1.5321  1.3928  2.3286
+ 6608TIP3   OH221271   4.503   3.052   5.485 -0.0012  0.0811  0.3270
+ 6608TIP3    H121272   4.543   2.966   5.498  1.2425  0.7342  0.9321
+ 6608TIP3    H221273   4.561   3.112   5.531 -0.2132  1.3997 -1.1063
+ 6609TIP3   OH221274   5.477   4.428   4.368 -0.7123  0.3121  0.0647
+ 6609TIP3    H121275   5.456   4.335   4.372  0.7474 -0.0060  0.7858
+ 6609TIP3    H221276   5.456   4.454   4.278 -2.4988 -0.3513  0.2671
+ 6610TIP3   OH221277   5.497   2.055   3.521  0.2869  0.5325  0.1718
+ 6610TIP3    H121278   5.516   2.128   3.462  2.0985 -0.0149  0.0544
+ 6610TIP3    H221279   5.424   2.009   3.479  1.4352  0.2566 -1.5658
+ 6611TIP3   OH221280   0.733   2.900   4.703  0.0428 -0.0053  0.3870
+ 6611TIP3    H121281   0.730   2.838   4.630 -0.7923 -0.6956  0.9974
+ 6611TIP3    H221282   0.653   2.952   4.695 -0.3757 -0.5113  1.1669
+ 6612TIP3   OH221283   5.471   2.255   5.368  0.6190 -0.0127  0.0656
+ 6612TIP3    H121284   5.456   2.172   5.324 -1.7152 -0.3332  1.4037
+ 6612TIP3    H221285   5.443   2.321   5.304  1.9052 -0.2456 -0.7640
+ 6613TIP3   OH221286   5.555   2.210   3.271  0.0447 -0.3390  0.1842
+ 6613TIP3    H121287   5.616   2.160   3.217 -2.1740 -2.8967 -0.0138
+ 6613TIP3    H221288   5.489   2.242   3.210 -0.0588  0.5425  0.7395
+ 6614TIP3   OH221289   4.180   1.625   4.334 -0.2984 -0.5413 -0.2944
+ 6614TIP3    H121290   4.120   1.568   4.382  0.4406 -1.5995 -0.6189
+ 6614TIP3    H221291   4.130   1.653   4.257 -1.1242  0.3323  0.5466
+ 6615TIP3   OH221292   5.401   1.764   2.714  0.5547  0.1795 -0.1174
+ 6615TIP3    H121293   5.450   1.748   2.795  0.7165  1.1235 -0.0330
+ 6615TIP3    H221294   5.395   1.859   2.708 -1.5405  0.0746  0.0250
+ 6616TIP3   OH221295   6.890   2.068   3.657 -0.2062 -0.2708  0.5818
+ 6616TIP3    H121296   6.941   2.136   3.611 -0.3199  0.2374  1.1966
+ 6616TIP3    H221297   6.864   2.007   3.588  1.3542 -0.6155  0.2739
+ 6617TIP3   OH221298   6.154   1.219   5.033 -0.1650 -0.0180 -0.3913
+ 6617TIP3    H121299   6.163   1.233   5.127 -0.6741 -0.7321 -0.2341
+ 6617TIP3    H221300   6.059   1.220   5.018 -0.0865  0.0663 -0.8962
+ 6618TIP3   OH221301   0.255   3.042   3.740 -0.2310  0.0806 -0.2562
+ 6618TIP3    H121302   0.169   3.078   3.718  0.1029 -0.1392 -1.9581
+ 6618TIP3    H221303   0.294   3.107   3.798 -0.9490  0.8802 -0.6646
+ 6619TIP3   OH221304   6.303   3.247   3.705  0.1811 -0.2668  0.2351
+ 6619TIP3    H121305   6.258   3.163   3.698  1.9402 -1.1905 -0.3956
+ 6619TIP3    H221306   6.276   3.294   3.626 -0.3549 -0.4696  0.2937
+ 6620TIP3   OH221307   1.826   0.119   3.610 -0.7631 -0.1597 -0.0965
+ 6620TIP3    H121308   1.863   0.102   3.697  0.8350  2.0507 -0.2797
+ 6620TIP3    H221309   1.731   0.121   3.624 -0.7029 -3.0085  0.9640
+ 6621TIP3   OH221310   4.966   4.731   6.326 -0.9140 -0.2244 -0.4202
+ 6621TIP3    H121311   4.879   4.771   6.327 -0.1990  1.4250  1.1759
+ 6621TIP3    H221312   4.976   4.695   6.414 -0.1532 -0.7558 -0.7226
+ 6622TIP3   OH221313   3.817   3.515   5.979 -0.0250  0.0547 -0.6788
+ 6622TIP3    H121314   3.908   3.508   5.949 -0.5386  0.6781 -2.4172
+ 6622TIP3    H221315   3.769   3.453   5.924 -0.6776 -0.1692  0.1445
+ 6623TIP3   OH221316   0.777   1.678   4.929 -0.0164 -0.7027 -0.2733
+ 6623TIP3    H121317   0.759   1.608   4.866 -1.6098 -0.3190 -0.2678
+ 6623TIP3    H221318   0.722   1.751   4.901 -1.6505 -0.9238  2.2177
+ 6624TIP3   OH221319   0.342   4.006   3.737 -0.3877  0.1890  0.0704
+ 6624TIP3    H121320   0.373   3.936   3.679 -1.4074  0.1529 -0.4406
+ 6624TIP3    H221321   0.282   3.962   3.797 -0.3546  0.4743  0.3133
+ 6625TIP3   OH221322   5.532   3.446   6.306  0.3378 -0.2805 -0.3003
+ 6625TIP3    H121323   5.472   3.420   6.236 -0.1749 -0.3558  0.1673
+ 6625TIP3    H221324   5.478   3.493   6.369  1.1475  1.3989 -0.8336
+ 6626TIP3   OH221325   5.134   2.425   4.080  0.7349 -0.2952  0.2017
+ 6626TIP3    H121326   5.114   2.465   4.165 -1.5168  1.0134 -0.8919
+ 6626TIP3    H221327   5.095   2.484   4.016  1.9319 -1.5559 -1.7296
+ 6627TIP3   OH221328   0.506   1.258   4.659 -0.9686  0.0254  0.0489
+ 6627TIP3    H121329   0.424   1.240   4.704 -0.1327 -0.8032  1.2622
+ 6627TIP3    H221330   0.574   1.233   4.722  0.2151  1.5297 -0.5939
+ 6628TIP3   OH221331   1.433   4.721   3.146  0.8011  0.2606 -0.5401
+ 6628TIP3    H121332   1.345   4.690   3.128  1.4777 -1.0572 -1.6482
+ 6628TIP3    H221333   1.488   4.678   3.081  2.6746 -1.1518  1.8573
+ 6629TIP3   OH221334   0.377   3.199   3.290  0.0271 -0.3769  0.0434
+ 6629TIP3    H121335   0.415   3.160   3.210  0.4461  0.9749 -0.4274
+ 6629TIP3    H221336   0.429   3.161   3.361  0.4169 -0.7121 -0.4113
+ 6630TIP3   OH221337   6.851   3.318   5.190 -0.0819 -0.3845  0.3975
+ 6630TIP3    H121338   6.902   3.297   5.268  1.9535  1.4651 -0.3775
+ 6630TIP3    H221339   6.792   3.389   5.219 -1.1909 -1.4999  0.9081
+ 6631TIP3   OH221340   4.766   3.312   6.175  0.3133 -0.1741 -0.4935
+ 6631TIP3    H121341   4.750   3.230   6.222  1.5528  0.0745  0.3922
+ 6631TIP3    H221342   4.861   3.315   6.164  0.1972  0.7117 -1.3361
+ 6632TIP3   OH221343   0.398   4.517   4.376 -0.1289 -0.0112  0.0106
+ 6632TIP3    H121344   0.427   4.480   4.293  0.2830  0.5314 -0.0944
+ 6632TIP3    H221345   0.316   4.472   4.395 -0.0360 -0.4083 -0.4999
+ 6633TIP3   OH221346   6.586   3.213   5.752  0.2618 -0.1491  0.0508
+ 6633TIP3    H121347   6.652   3.247   5.692  1.7008 -0.0452  1.6660
+ 6633TIP3    H221348   6.620   3.128   5.779  0.1441  0.2712  1.5415
+ 6634TIP3   OH221349   6.628   2.956   4.153  0.3248 -0.1547 -0.2539
+ 6634TIP3    H121350   6.641   2.881   4.095  0.5993  0.0020 -0.3991
+ 6634TIP3    H221351   6.594   2.919   4.234 -2.0491 -0.1707 -1.2119
+ 6635TIP3   OH221352   5.822   3.526   5.334  0.2151  0.1691  0.2720
+ 6635TIP3    H121353   5.819   3.551   5.241 -0.5162 -0.1436  0.2096
+ 6635TIP3    H221354   5.847   3.607   5.379  2.6207 -0.1587 -0.3813
+ 6636TIP3   OH221355   5.046   4.569   6.123  0.5347  0.2699  0.4669
+ 6636TIP3    H121356   5.078   4.484   6.152 -0.1039 -0.4683 -0.9405
+ 6636TIP3    H221357   5.032   4.618   6.203  1.1733 -0.8545  1.2785
+ 6637TIP3   OH221358   1.364   3.573   5.987 -0.1124 -0.0570  0.5831
+ 6637TIP3    H121359   1.393   3.595   5.898 -1.5716 -1.9463 -0.4246
+ 6637TIP3    H221360   1.298   3.639   6.007  0.2732  0.4258  0.2786
+ 6638TIP3   OH221361   0.981   2.599   4.672  0.0251 -0.7850 -0.5489
+ 6638TIP3    H121362   0.924   2.537   4.627 -1.2467  0.1016 -0.1689
+ 6638TIP3    H221363   0.956   2.592   4.764 -0.0078  0.1616 -0.4830
+ 6639TIP3   OH221364   5.226   2.950   6.364  0.4216 -0.0314  0.1718
+ 6639TIP3    H121365   5.173   3.013   6.412  2.0797  0.4226  1.4341
+ 6639TIP3    H221366   5.258   2.997   6.288 -0.7485 -0.2327 -0.4597
+ 6640TIP3   OH221367   6.100   2.885   4.726  0.0039  0.4662  0.3488
+ 6640TIP3    H121368   6.105   2.833   4.806  1.0234  0.2200  0.1236
+ 6640TIP3    H221369   6.061   2.825   4.661 -2.2879  1.1488  1.0497
+ 6641TIP3   OH221370   0.652   2.071   5.432  0.1390  0.4373  1.1020
+ 6641TIP3    H121371   0.718   2.136   5.408  0.0438  0.5387  1.1133
+ 6641TIP3    H221372   0.695   2.015   5.496  0.9726 -0.9061 -0.5849
+ 6642TIP3   OH221373   0.392   1.370   3.907  1.0656  0.6152  0.3820
+ 6642TIP3    H121374   0.467   1.366   3.967  1.2122  0.0751  0.1735
+ 6642TIP3    H221375   0.414   1.440   3.846  1.4342  0.4117  0.2788
+ 6643TIP3   OH221376   5.682   2.920   3.889  0.2328 -0.0260  0.0603
+ 6643TIP3    H121377   5.631   2.846   3.856 -0.3586  0.4849 -0.2089
+ 6643TIP3    H221378   5.761   2.921   3.835 -0.3907  0.3581 -0.8581
+ 6644TIP3   OH221379   6.155   3.964   4.018  0.5847 -0.5221  0.7445
+ 6644TIP3    H121380   6.126   4.020   3.946 -2.5589 -0.4623  1.9814
+ 6644TIP3    H221381   6.142   3.875   3.985 -1.0526 -0.4965  1.2542
+ 6645TIP3   OH221382   5.034   1.911   5.174 -0.4090  0.4162 -0.1368
+ 6645TIP3    H121383   4.965   1.856   5.210 -1.1550  0.7104 -1.0731
+ 6645TIP3    H221384   5.108   1.853   5.164 -1.6453 -0.8208 -2.5177
+ 6646TIP3   OH221385   6.354   3.530   4.425 -0.2159  0.4623  0.1301
+ 6646TIP3    H121386   6.418   3.459   4.428  0.3369  0.9372 -0.4426
+ 6646TIP3    H221387   6.295   3.512   4.499  0.8692  0.2958  0.9731
+ 6647TIP3   OH221388   4.532   2.326   5.450  0.3169  0.0085  0.1762
+ 6647TIP3    H121389   4.513   2.243   5.406 -0.3674  0.3469 -0.1741
+ 6647TIP3    H221390   4.609   2.360   5.404 -0.1690  0.1773 -0.5223
+ 6648TIP3   OH221391   0.635   1.100   4.204 -0.6192  0.0828  0.4260
+ 6648TIP3    H121392   0.680   1.020   4.178 -1.9825  0.0619 -2.0083
+ 6648TIP3    H221393   0.600   1.080   4.291 -3.0462 -2.9148 -1.1191
+ 6649TIP3   OH221394   5.267   1.903   3.436  0.1659  0.4388  0.2102
+ 6649TIP3    H121395   5.285   1.810   3.424 -0.6943  0.1998  0.6910
+ 6649TIP3    H221396   5.188   1.905   3.491  0.9653  1.4563  1.3460
+ 6650TIP3   OH221397   5.456   2.318   3.029  0.2188 -0.6911  0.5812
+ 6650TIP3    H121398   5.527   2.378   3.009  1.6247 -2.1340  1.1627
+ 6650TIP3    H221399   5.488   2.232   3.002 -2.3311 -1.0056 -1.6274
+ 6651TIP3   OH221400   0.565   3.119   5.952  0.9026  0.3214  0.0429
+ 6651TIP3    H121401   0.495   3.137   5.888  0.8428 -0.3926 -0.0969
+ 6651TIP3    H221402   0.519   3.107   6.035  0.8353 -0.3942 -0.0966
+ 6652TIP3   OH221403   3.733   1.508   3.614 -0.0373  0.3165  0.4885
+ 6652TIP3    H121404   3.781   1.472   3.539 -0.2622 -0.7406  0.8428
+ 6652TIP3    H221405   3.767   1.460   3.690  0.7217  1.8931  1.1787
+ 6653TIP3   OH221406   0.587   3.606   3.662 -0.1272 -0.0387 -0.0866
+ 6653TIP3    H121407   0.676   3.616   3.629  1.1951 -2.2802  2.5339
+ 6653TIP3    H221408   0.563   3.516   3.638 -0.1240 -0.8014  2.5242
+ 6654TIP3   OH221409   4.353   1.594   2.745  0.1851 -0.1688  0.8350
+ 6654TIP3    H121410   4.330   1.547   2.825 -1.6328 -2.1162 -0.7896
+ 6654TIP3    H221411   4.307   1.678   2.753 -0.5737 -0.6403  1.4961
+ 6655TIP3   OH221412   5.487   2.497   2.779  0.6460  0.0929  1.0484
+ 6655TIP3    H121413   5.426   2.567   2.804  0.2733 -0.5717  2.0481
+ 6655TIP3    H221414   5.561   2.509   2.838  1.5254  0.9314 -0.2000
+ 6656TIP3   OH221415   4.842   2.029   3.040 -0.0603  0.0220 -0.0269
+ 6656TIP3    H121416   4.927   2.046   3.080 -0.9612  1.2267  1.4253
+ 6656TIP3    H221417   4.827   2.104   2.982  1.3969 -1.8761 -3.0093
+ 6657TIP3   OH221418   5.672   1.638   2.744 -0.7606  0.2299 -0.0455
+ 6657TIP3    H121419   5.616   1.561   2.740 -1.5398  0.8096 -0.4780
+ 6657TIP3    H221420   5.753   1.611   2.699 -1.4972  0.0503 -1.2840
+ 6658TIP3   OH221421   6.595   1.970   4.977 -0.3998  0.3085 -0.1592
+ 6658TIP3    H121422   6.616   1.887   5.020  1.3403  0.5533 -0.4740
+ 6658TIP3    H221423   6.634   1.962   4.890  0.7682  1.8668  0.1902
+ 6659TIP3   OH221424   4.714   1.156   4.137 -0.4375  0.2614 -0.1608
+ 6659TIP3    H121425   4.649   1.128   4.072 -0.1270  1.2891 -0.9287
+ 6659TIP3    H221426   4.787   1.189   4.085  0.3937 -0.1995  0.7081
+ 6660TIP3   OH221427   6.068   2.173   3.575 -0.1188 -0.0129 -0.0459
+ 6660TIP3    H121428   5.992   2.122   3.548 -0.8316  1.2982 -0.5345
+ 6660TIP3    H221429   6.032   2.254   3.609  1.1142  1.3131 -1.8159
+ 6661TIP3   OH221430   1.057   1.640   3.048  0.3525  0.0749  0.3539
+ 6661TIP3    H121431   1.111   1.629   3.126 -1.0605  0.4817  1.4039
+ 6661TIP3    H221432   1.073   1.560   2.997 -0.4526 -1.2706  2.1419
+ 6662TIP3   OH221433   1.132   3.449   5.348  0.7378  0.0935  0.0526
+ 6662TIP3    H121434   1.140   3.425   5.440 -0.7102 -1.0353 -0.0960
+ 6662TIP3    H221435   1.163   3.372   5.300  2.3019  0.9910 -0.4167
+ 6663TIP3   OH221436   1.427   0.649   6.878  0.0951  0.2713  0.2300
+ 6663TIP3    H121437   1.334   0.670   6.874  0.5416  1.9629 -1.9933
+ 6663TIP3    H221438   1.441   0.590   6.804  0.9391  0.5743  0.1487
+ 6664TIP3   OH221439   6.288   1.996   4.986  1.1404 -0.4180  1.0088
+ 6664TIP3    H121440   6.375   2.032   5.002  1.8357 -0.4977 -2.2148
+ 6664TIP3    H221441   6.296   1.951   4.902 -2.7361  2.0385 -0.7990
+ 6665TIP3   OH221442   5.960   2.499   4.823 -0.0225 -0.1469 -0.3712
+ 6665TIP3    H121443   5.984   2.477   4.733  1.3246 -2.4904  0.5211
+ 6665TIP3    H221444   5.874   2.459   4.835 -0.4208  0.5756 -0.7339
+ 6666TIP3   OH221445   5.683   1.535   4.762 -0.0919 -0.0455  0.1035
+ 6666TIP3    H121446   5.639   1.450   4.754 -1.1931  0.5351 -0.2093
+ 6666TIP3    H221447   5.629   1.594   4.709 -0.1549  1.1469  1.4746
+ 6667TIP3   OH221448   5.988   2.603   3.856 -0.0333 -0.0095 -0.0880
+ 6667TIP3    H121449   6.072   2.591   3.900 -0.6108 -2.1429  0.4731
+ 6667TIP3    H221450   5.971   2.697   3.862  1.0816  0.0731  2.0782
+ 6668TIP3   OH221451   6.275   1.618   4.658 -0.0990 -1.1588 -0.3753
+ 6668TIP3    H121452   6.286   1.702   4.614  0.0452 -1.2968 -0.6051
+ 6668TIP3    H221453   6.219   1.567   4.599 -1.8280 -0.5358  0.6810
+ 6669TIP3   OH221454   6.581   1.785   2.366 -0.7617  0.2951 -0.2982
+ 6669TIP3    H121455   6.601   1.834   2.287  1.9817 -0.7300 -0.2916
+ 6669TIP3    H221456   6.639   1.708   2.363 -2.7542 -1.3460  1.1971
+ 6670TIP3   OH221457   0.151   4.010   2.969 -0.5638 -0.6042 -0.2876
+ 6670TIP3    H121458   0.151   3.936   2.908 -0.9914 -0.3934 -0.5435
+ 6670TIP3    H221459   0.206   4.076   2.927  0.3277 -1.0113  0.2304
+ 6671TIP3   OH221460   5.464   0.758   0.090  0.0655  0.4281 -0.2808
+ 6671TIP3    H121461   5.469   0.676   0.138  1.4788  0.3495 -0.5366
+ 6671TIP3    H221462   5.370   0.775   0.080 -0.2322 -1.2711 -0.4499
+ 6672TIP3   OH221463   5.937   3.701   5.832  0.1499 -0.6574  0.0565
+ 6672TIP3    H121464   5.993   3.771   5.865  0.2750 -0.0029 -1.5113
+ 6672TIP3    H221465   5.992   3.653   5.771 -1.5407  1.1958 -3.0337
+ 6673TIP3   OH221466   0.949   2.268   4.183 -0.5698 -0.2912  0.3170
+ 6673TIP3    H121467   0.888   2.332   4.219 -1.3409 -1.3239  0.9018
+ 6673TIP3    H221468   0.929   2.265   4.090 -0.7934  0.0469  0.3572
+ 6674TIP3   OH221469   5.374   3.789   5.600  0.5138  0.4132 -0.0956
+ 6674TIP3    H121470   5.470   3.783   5.607  0.5215 -1.8005 -1.2750
+ 6674TIP3    H221471   5.359   3.855   5.533  1.3209 -0.6135 -1.3245
+ 6675TIP3   OH221472   5.242   2.635   4.786 -0.2782  0.0104  0.4388
+ 6675TIP3    H121473   5.162   2.591   4.816 -0.3796  0.0914  0.2927
+ 6675TIP3    H221474   5.210   2.707   4.732 -0.3080  2.8530  4.0256
+ 6676TIP3   OH221475   0.592   3.947   2.963  0.0537 -0.2442 -0.2575
+ 6676TIP3    H121476   0.669   3.942   2.906  0.3309  0.1286  0.0815
+ 6676TIP3    H221477   0.530   3.886   2.924  0.3525 -0.2120 -0.7945
+ 6677TIP3   OH221478   6.514   5.277   4.859  0.2158  0.6678 -0.2559
+ 6677TIP3    H121479   6.523   5.182   4.849 -1.2687  0.5366 -0.4305
+ 6677TIP3    H221480   6.520   5.311   4.770 -1.8706  0.4954 -0.4758
+ 6678TIP3   OH221481   6.402   3.202   5.979 -0.1707 -1.3284 -0.3018
+ 6678TIP3    H121482   6.322   3.241   5.944 -0.9968 -0.5147  2.3880
+ 6678TIP3    H221483   6.471   3.232   5.920 -1.6700 -0.9924 -1.9196
+ 6679TIP3   OH221484   6.584   1.060   4.381  0.1847  0.3926 -0.0385
+ 6679TIP3    H121485   6.566   1.006   4.458 -1.6305  1.8605  0.5981
+ 6679TIP3    H221486   6.530   1.021   4.312  0.3698  0.2289 -0.0929
+ 6680TIP3   OH221487   1.629   0.112   2.989 -0.2836  0.0385 -0.4672
+ 6680TIP3    H121488   1.652   0.103   2.896  3.1350  1.7887  0.1497
+ 6680TIP3    H221489   1.654   0.029   3.028 -1.2775 -0.5245 -1.0110
+ 6681TIP3   OH221490   5.556   4.501   3.055  0.0146  0.1785  0.2391
+ 6681TIP3    H121491   5.651   4.502   3.047 -0.0601  0.6026 -0.6509
+ 6681TIP3    H221492   5.524   4.516   2.966 -0.8829  0.9189  0.6800
+ 6682TIP3   OH221493   4.944   3.788   5.260 -0.3502  0.3988 -0.0224
+ 6682TIP3    H121494   4.958   3.844   5.336 -0.2723  0.0920  0.1934
+ 6682TIP3    H221495   4.910   3.846   5.192 -0.9839  0.5695  0.4344
+ 6683TIP3   OH221496   5.463   3.110   0.740  0.2134  0.5534 -0.1688
+ 6683TIP3    H121497   5.423   3.190   0.773 -0.4169 -0.3911  1.3818
+ 6683TIP3    H221498   5.407   3.083   0.667 -0.7470  0.4049  0.6227
+ 6684TIP3   OH221499   5.930   0.400   3.290  0.2605  0.0933  0.1120
+ 6684TIP3    H121500   5.964   0.312   3.305 -2.4496 -1.0842 -0.3731
+ 6684TIP3    H221501   6.007   0.453   3.268  1.9327 -2.1069  0.5901
+ 6685TIP3   OH221502   6.543   3.032   2.355  0.1342 -0.1085  0.6628
+ 6685TIP3    H121503   6.505   3.088   2.422 -0.5174  0.7847 -0.4462
+ 6685TIP3    H221504   6.470   3.008   2.299  1.3625  2.5984 -2.1889
+ 6686TIP3   OH221505   5.956   2.882   5.298 -0.2730  0.8288 -0.0419
+ 6686TIP3    H121506   5.943   2.860   5.206  1.9245  2.1645 -0.7074
+ 6686TIP3    H221507   6.052   2.886   5.309 -0.5117  1.9157  1.9897
+ 6687TIP3   OH221508   4.488   2.079   4.972 -0.4801 -0.0970  0.4716
+ 6687TIP3    H121509   4.550   2.104   4.904 -0.4645 -1.0343  0.1274
+ 6687TIP3    H221510   4.538   2.023   5.031 -1.1479 -1.3889 -0.1634
+ 6688TIP3   OH221511   5.698   3.397   3.320  0.3258  0.3760 -0.8470
+ 6688TIP3    H121512   5.741   3.476   3.354  0.8555 -0.6897  1.0272
+ 6688TIP3    H221513   5.768   3.348   3.277 -0.1049  1.1308 -2.4814
+ 6689TIP3   OH221514   4.225   2.664   5.641 -0.6515 -0.2703  0.0197
+ 6689TIP3    H121515   4.135   2.632   5.644 -0.2258 -1.4702  0.7126
+ 6689TIP3    H221516   4.241   2.700   5.728 -0.5505  0.2090 -0.1944
+ 6690TIP3   OH221517   0.178   1.481   4.256 -0.3557  0.2101 -0.2639
+ 6690TIP3    H121518   0.260   1.432   4.257 -0.4435  0.0606  0.8344
+ 6690TIP3    H221519   0.112   1.416   4.281 -0.7835  0.3729 -0.9628
+ 6691TIP3   OH221520   5.482   4.650   4.023  0.4252  0.1862  0.2666
+ 6691TIP3    H121521   5.572   4.683   4.018  1.0378 -1.3708  0.6497
+ 6691TIP3    H221522   5.492   4.559   4.051 -1.1485 -0.6234 -1.6971
+ 6692TIP3   OH221523   4.047   3.250   5.221  0.0730  0.1397  0.0359
+ 6692TIP3    H121524   3.957   3.216   5.212 -0.3898  1.1677  0.7460
+ 6692TIP3    H221525   4.085   3.239   5.134 -0.3607 -1.3861  0.0226
+ 6693TIP3   OH221526   5.897   4.309   4.515 -0.0085  0.1366 -0.2565
+ 6693TIP3    H121527   5.976   4.336   4.562  0.5061  0.7090 -1.4312
+ 6693TIP3    H221528   5.841   4.387   4.516 -0.7707 -0.4172  0.9998
+ 6694TIP3   OH221529   5.759   3.532   4.623 -0.1437  0.5512 -1.0562
+ 6694TIP3    H121530   5.677   3.557   4.665  0.0546 -0.7939  0.1743
+ 6694TIP3    H221531   5.755   3.436   4.618  1.9249  0.3601  0.2466
+ 6695TIP3   OH221532   1.264   4.279   4.870 -0.5533 -0.3250  0.1000
+ 6695TIP3    H121533   1.306   4.303   4.952  1.1447  1.3633 -1.2121
+ 6695TIP3    H221534   1.199   4.349   4.856 -0.5192 -0.3603 -0.2333
+ 6696TIP3   OH221535   6.005   3.187   0.445  0.3272  0.2515  0.2751
+ 6696TIP3    H121536   5.979   3.207   0.355 -0.1925 -1.8232 -0.0526
+ 6696TIP3    H221537   5.929   3.213   0.498  0.7762  1.8253  0.1920
+ 6697TIP3   OH221538   0.059   2.593   1.294 -0.1122  0.3078 -0.0518
+ 6697TIP3    H121539  -0.016   2.547   1.255 -0.0010  0.2419 -0.1885
+ 6697TIP3    H221540   0.054   2.571   1.387 -0.5622  0.7259  0.0224
+ 6698TIP3   OH221541   5.815   3.426   0.024  0.1478 -0.2308  0.0235
+ 6698TIP3    H121542   5.793   3.506   0.072  0.4997  1.1501 -2.0620
+ 6698TIP3    H221543   5.738   3.370   0.035 -0.8919  1.1469 -0.0558
+ 6699TIP3   OH221544   6.857   2.385   3.269 -0.0720  0.1735 -0.3101
+ 6699TIP3    H121545   6.770   2.366   3.232 -0.4335  0.2546  0.4801
+ 6699TIP3    H221546   6.916   2.325   3.224 -0.5673  0.0023 -0.7366
+ 6700TIP3   OH221547   5.805   0.290   1.062 -0.3156 -0.5296  0.2529
+ 6700TIP3    H121548   5.873   0.274   1.127  1.0915 -0.3862 -1.1644
+ 6700TIP3    H221549   5.851   0.294   0.979 -1.9911  0.0864 -0.6777
+ 6701TIP3   OH221550   1.059   2.498   5.470 -0.5312 -0.3769 -0.0461
+ 6701TIP3    H121551   1.096   2.465   5.387 -0.6935 -1.1840  0.2032
+ 6701TIP3    H221552   1.055   2.421   5.527 -0.0276  0.2614  0.8585
+ 6702TIP3   OH221553   0.879   4.865   6.260  0.1428  0.7997 -0.4157
+ 6702TIP3    H121554   0.857   4.916   6.182 -0.1473 -0.6086 -1.2838
+ 6702TIP3    H221555   0.803   4.876   6.318 -0.2358  0.7834 -0.8993
+ 6703TIP3   OH221556   1.198   1.112   5.771  0.0289  0.6105  0.6664
+ 6703TIP3    H121557   1.165   1.136   5.685  1.7102  2.0781  0.4001
+ 6703TIP3    H221558   1.124   1.129   5.830 -0.5698  1.2729 -0.2553
+ 6704TIP3   OH221559   3.319   1.267   6.217  0.6702 -0.1079 -0.1200
+ 6704TIP3    H121560   3.396   1.216   6.243  1.0849  0.3101 -0.5268
+ 6704TIP3    H221561   3.350   1.323   6.146 -0.0750 -0.1205 -0.4576
+ 6705TIP3   OH221562   4.959   0.790   4.656  0.0704  0.7149 -0.1536
+ 6705TIP3    H121563   4.962   0.844   4.735  1.6596 -0.1285  0.3954
+ 6705TIP3    H221564   4.939   0.702   4.689 -0.1847  0.5364 -0.7899
+ 6706TIP3   OH221565   5.597   3.725   3.685  0.0120 -0.5713  0.1470
+ 6706TIP3    H121566   5.616   3.670   3.609  3.3320 -0.0064  0.4862
+ 6706TIP3    H221567   5.559   3.804   3.648  0.7033 -0.6962 -0.8555
+ 6707TIP3   OH221568   6.499   3.645   4.727 -0.2311  0.9390  0.2800
+ 6707TIP3    H121569   6.407   3.667   4.710 -0.3209  2.7135  2.8046
+ 6707TIP3    H221570   6.498   3.605   4.814  1.1747 -0.6812 -0.4355
+ 6708TIP3   OH221571   4.953   1.201   3.646  0.2241  0.3158  0.1659
+ 6708TIP3    H121572   4.984   1.287   3.671  0.8660  0.0595  0.2563
+ 6708TIP3    H221573   5.029   1.158   3.606  0.4656 -0.9308  1.9089
+ 6709TIP3   OH221574   0.183   3.883   4.514  0.9871  0.0016  0.1930
+ 6709TIP3    H121575   0.112   3.826   4.542  1.2244 -0.1816  0.4180
+ 6709TIP3    H221576   0.138   3.956   4.471  0.7055 -0.6340 -0.6193
+ 6710TIP3   OH221577   5.205   2.920   4.936 -0.1150  0.1746 -0.0612
+ 6710TIP3    H121578   5.109   2.924   4.927 -0.2367 -0.8422  0.6471
+ 6710TIP3    H221579   5.229   2.840   4.890  0.2032 -0.4779  1.2259
+ 6711TIP3   OH221580   0.645   2.417   3.933  0.5274  0.2460 -0.0193
+ 6711TIP3    H121581   0.596   2.493   3.964  2.6468  1.4817  0.3658
+ 6711TIP3    H221582   0.599   2.342   3.972 -0.3249  1.4373  1.3363
+ 6712TIP3   OH221583   4.062   1.330   3.710 -0.1520 -0.0315  0.5464
+ 6712TIP3    H121584   3.972   1.299   3.724  0.1178 -1.1505 -0.0860
+ 6712TIP3    H221585   4.113   1.250   3.698  0.6288  0.6393 -0.8255
+ 6713TIP3   OH221586   4.465   3.951   6.166 -0.3186  0.1971  0.3412
+ 6713TIP3    H121587   4.491   4.043   6.178  0.8594 -0.1067  0.1858
+ 6713TIP3    H221588   4.515   3.903   6.232 -0.9687 -0.3278  0.4510
+ 6714TIP3   OH221589   6.140   6.101   4.130 -0.0850 -0.5807 -0.8113
+ 6714TIP3    H121590   6.223   6.093   4.085 -0.8235 -0.2946 -2.2391
+ 6714TIP3    H221591   6.108   6.188   4.107  0.0253 -0.0068  1.1294
+ 6715TIP3   OH221592   5.783   3.286   3.854  0.1233 -0.0105 -0.1560
+ 6715TIP3    H121593   5.813   3.312   3.767 -0.1582 -0.6150 -0.4323
+ 6715TIP3    H221594   5.688   3.280   3.846 -0.0430  1.4889  0.6126
+ 6716TIP3   OH221595   5.927   3.664   6.532  0.4018 -0.1120 -0.5638
+ 6716TIP3    H121596   5.911   3.732   6.466 -0.9721 -0.6648 -0.8110
+ 6716TIP3    H221597   5.880   3.588   6.500  0.8541 -0.7983  0.3851
+ 6717TIP3   OH221598   6.852   0.966   5.030 -0.5993  0.4111  0.3013
+ 6717TIP3    H121599   6.820   1.039   4.977  0.3621  0.5259 -0.1339
+ 6717TIP3    H221600   6.870   1.004   5.115 -1.4058  0.3906  0.4844
+ 6718TIP3   OH221601   5.100   1.966   5.671 -0.6350 -0.0575  0.1627
+ 6718TIP3    H121602   5.015   1.966   5.715 -0.4575 -0.5122  0.5087
+ 6718TIP3    H221603   5.116   2.058   5.649 -1.0032  0.0918  0.5146
+ 6719TIP3   OH221604   5.554   0.808   2.989  0.5833 -0.2318 -0.3071
+ 6719TIP3    H121605   5.580   0.890   2.947 -0.4524 -0.2758 -1.0561
+ 6719TIP3    H221606   5.566   0.823   3.082 -0.8035  1.2164 -0.3520
+ 6720TIP3   OH221607   4.704   2.600   5.857 -0.3120 -0.0179 -0.4282
+ 6720TIP3    H121608   4.739   2.655   5.787  0.2478 -0.5013 -0.5243
+ 6720TIP3    H221609   4.620   2.568   5.823 -0.2192  0.0555 -0.7241
+ 6721TIP3   OH221610   5.561   2.678   3.840 -0.3756 -0.1341 -0.3612
+ 6721TIP3    H121611   5.479   2.683   3.889 -0.3078 -0.5191 -0.2065
+ 6721TIP3    H221612   5.547   2.607   3.777  0.0845 -0.6606  0.1259
+ 6722TIP3   OH221613   6.452   2.073   4.014 -0.0512  0.3723 -0.4340
+ 6722TIP3    H121614   6.440   1.988   3.972  1.9597 -0.3574  0.3944
+ 6722TIP3    H221615   6.423   2.136   3.948 -2.3727 -0.9564 -0.7307
+ 6723TIP3   OH221616   4.823   4.356   4.666 -0.2307 -0.1008 -0.5758
+ 6723TIP3    H121617   4.808   4.447   4.639  2.2747  0.3713 -0.5070
+ 6723TIP3    H221618   4.913   4.338   4.640 -0.1487 -2.0256  0.9401
+ 6724TIP3   OH221619   0.498   3.041   4.768 -0.5722 -0.1027  0.1657
+ 6724TIP3    H121620   0.445   3.073   4.841  0.9393  0.3308  1.0907
+ 6724TIP3    H221621   0.534   3.121   4.728  2.2159 -0.5395  1.7182
+ 6725TIP3   OH221622   6.498   2.418   6.571 -0.0316 -0.6549 -0.7076
+ 6725TIP3    H121623   6.560   2.356   6.610  0.9856 -0.8892 -2.6181
+ 6725TIP3    H221624   6.432   2.363   6.529 -0.9922 -0.4092  0.4605
+ 6726TIP3   OH221625   2.492   5.117   3.646  0.1927 -0.6665 -0.4684
+ 6726TIP3    H121626   2.543   5.039   3.666 -1.2186 -1.6447 -0.6292
+ 6726TIP3    H221627   2.432   5.127   3.720 -2.5881 -2.2402 -2.4248
+ 6727TIP3   OH221628   0.176   3.835   4.142  0.1059 -0.5735 -0.1305
+ 6727TIP3    H121629   0.186   3.922   4.181 -0.1332 -0.7490  0.3300
+ 6727TIP3    H221630   0.129   3.784   4.209 -0.5842 -0.7904 -0.7646
+ 6728TIP3   OH221631   5.983   3.834   5.005  0.2000  0.0877 -0.0623
+ 6728TIP3    H121632   5.999   3.812   4.914 -2.5302 -1.6145 -0.1877
+ 6728TIP3    H221633   5.982   3.750   5.051  0.9338  0.8766  1.4348
+ 6729TIP3   OH221634   4.620   2.385   5.052 -0.5705 -0.0987 -0.2851
+ 6729TIP3    H121635   4.571   2.319   5.004 -1.1033 -0.0096  0.1343
+ 6729TIP3    H221636   4.563   2.462   5.054 -0.8139 -0.3061  1.0268
+ 6730TIP3   OH221637   5.947   2.857   6.101 -0.0575  0.6207 -0.6192
+ 6730TIP3    H121638   5.874   2.808   6.063  0.6345 -0.4409 -0.6147
+ 6730TIP3    H221639   5.996   2.791   6.151  1.1438  1.2153 -0.9829
+ 6731TIP3   OH221640   6.663   3.636   4.525 -0.3571  0.3374  0.4459
+ 6731TIP3    H121641   6.634   3.552   4.490 -0.6944  0.8553 -0.5382
+ 6731TIP3    H221642   6.592   3.664   4.584 -1.5374  1.2240 -1.3410
+ 6732TIP3   OH221643   4.652   2.016   3.465  0.1987 -0.4558 -0.4579
+ 6732TIP3    H121644   4.682   2.106   3.449 -0.5705 -0.3928 -1.5823
+ 6732TIP3    H221645   4.564   2.026   3.500  0.0981 -0.7629 -0.6225
+ 6733TIP3   OH221646   3.856   0.257   3.082 -0.6768  0.0235  0.2177
+ 6733TIP3    H121647   3.864   0.292   2.993 -0.5737 -0.8078 -0.1006
+ 6733TIP3    H221648   3.946   0.247   3.112 -0.7196  1.3433  0.8348
+ 6734TIP3   OH221649   3.884   1.694   5.415 -0.2628 -0.4936 -0.2202
+ 6734TIP3    H121650   3.870   1.775   5.465 -1.4883 -1.3966  0.9384
+ 6734TIP3    H221651   3.859   1.717   5.326  0.1367  0.6250 -0.0559
+ 6735TIP3   OH221652   6.262   3.161   4.911  0.6939  0.3411 -0.2164
+ 6735TIP3    H121653   6.345   3.143   4.955 -0.5454  2.3605  3.1840
+ 6735TIP3    H221654   6.227   3.237   4.956 -2.6796  0.0079 -2.0634
+ 6736TIP3   OH221655   0.947   1.631   4.574 -0.1446  0.0163  0.1821
+ 6736TIP3    H121656   0.861   1.672   4.581  0.4168  1.3649 -0.6579
+ 6736TIP3    H221657   0.997   1.689   4.517  0.9961 -1.3062 -0.1983
+ 6737TIP3   OH221658   6.479   1.021   3.129 -0.1643  0.2635  0.2155
+ 6737TIP3    H121659   6.528   1.055   3.054 -1.0958  0.5463 -0.2742
+ 6737TIP3    H221660   6.413   0.963   3.091  0.5012 -0.9940  0.9521
+ 6738TIP3   OH221661   5.624   4.172   3.997 -0.5461 -0.4321 -0.6823
+ 6738TIP3    H121662   5.583   4.091   4.027 -0.9367 -0.8491 -2.2749
+ 6738TIP3    H221663   5.675   4.203   4.072 -0.6372 -1.9908  0.0356
+ 6739TIP3   OH221664   1.888   4.537   3.080  0.5965 -0.2294  0.0935
+ 6739TIP3    H121665   1.949   4.601   3.116 -0.1053 -0.0912  1.0534
+ 6739TIP3    H221666   1.833   4.589   3.020 -0.5335  0.2493  1.5285
+ 6740TIP3   OH221667   5.761   0.196   6.650  0.2185 -0.2516 -0.3515
+ 6740TIP3    H121668   5.697   0.264   6.674 -0.5105 -0.7189 -0.9506
+ 6740TIP3    H221669   5.728   0.117   6.693 -0.5438 -0.8714 -2.0485
+ 6741TIP3   OH221670   5.937   3.559   5.001 -0.2173 -0.7687 -0.0493
+ 6741TIP3    H121671   5.929   3.463   5.005 -0.8194 -0.7381 -0.4708
+ 6741TIP3    H221672   5.991   3.574   4.924 -1.3292 -0.7122 -0.8288
+ 6742TIP3   OH221673   4.940   2.896   4.825  0.2682  0.2798 -0.0897
+ 6742TIP3    H121674   4.902   2.926   4.742  1.0152 -1.1132 -0.9523
+ 6742TIP3    H221675   4.966   2.806   4.808  0.5682  0.0285  1.6295
+ 6743TIP3   OH221676   2.493   2.785   0.305  0.1466  0.1382 -0.3069
+ 6743TIP3    H121677   2.453   2.869   0.282 -1.7773 -0.5402  0.4367
+ 6743TIP3    H221678   2.482   2.731   0.227  0.0628  0.1125 -0.2775
+ 6744TIP3   OH221679   3.339   5.056   4.668  0.4815 -0.5624  0.1908
+ 6744TIP3    H121680   3.275   5.085   4.733  1.5126 -0.7800  1.3197
+ 6744TIP3    H221681   3.288   5.039   4.589 -0.6551  0.6086  0.6642
+ 6745TIP3   OH221682   6.757   0.794   0.942  0.0597  0.1638  0.3052
+ 6745TIP3    H121683   6.833   0.750   0.904  0.9905  1.8846  0.1574
+ 6745TIP3    H221684   6.766   0.779   1.036  1.0069  1.0124  0.3582
+ 6746TIP3   OH221685   2.830   6.559   4.431 -0.2258 -0.3983  0.3196
+ 6746TIP3    H121686   2.881   6.564   4.511  0.2439  0.0585 -0.0052
+ 6746TIP3    H221687   2.744   6.526   4.459 -0.6511  1.4651  1.2801
+ 6747TIP3   OH221688   6.874   6.480   3.754  0.1274  0.6439  0.4203
+ 6747TIP3    H121689   6.826   6.563   3.753  0.7576  1.0091  0.5614
+ 6747TIP3    H221690   6.904   6.471   3.844 -1.1417 -0.4340  0.7455
+ 6748TIP3   OH221691   4.465   3.358   4.504 -0.0600  0.2037 -0.0065
+ 6748TIP3    H121692   4.474   3.265   4.483  0.7933  0.5119 -1.0751
+ 6748TIP3    H221693   4.482   3.364   4.598 -1.6345 -0.9086  0.3638
+ 6749TIP3   OH221694   4.137   3.808   5.864  0.2101  0.1498  0.0638
+ 6749TIP3    H121695   4.140   3.897   5.828  1.5377  1.1364  2.5654
+ 6749TIP3    H221696   4.065   3.810   5.927  0.0559 -0.6706 -0.0764
+ 6750TIP3   OH221697   0.243   3.008   5.555 -0.1469 -0.7218  0.1737
+ 6750TIP3    H121698   0.259   3.061   5.633  0.6645  0.3508 -0.6973
+ 6750TIP3    H221699   0.319   3.025   5.499 -1.0011 -1.0385 -1.0929
+ 6751TIP3   OH221700   1.488   4.220   6.135 -0.1706 -0.0544  0.5038
+ 6751TIP3    H121701   1.561   4.215   6.197 -1.6226 -2.0343  2.0904
+ 6751TIP3    H221702   1.415   4.253   6.187 -0.7496  0.7431 -0.7891
+ 6752TIP3   OH221703   6.692   4.850   5.220 -0.2987  0.6793 -0.1268
+ 6752TIP3    H121704   6.729   4.898   5.146 -3.5836  0.0713 -2.2731
+ 6752TIP3    H221705   6.740   4.883   5.296  2.3729  2.1660 -2.3514
+ 6753TIP3   OH221706   1.186   3.797   3.696  0.3325  0.2768  0.4116
+ 6753TIP3    H121707   1.102   3.817   3.737 -0.1207 -0.9633  0.1101
+ 6753TIP3    H221708   1.235   3.748   3.762 -1.0811 -3.2962 -1.0551
+ 6754TIP3   OH221709   0.093   4.513   4.654  0.7293 -0.0574  0.0919
+ 6754TIP3    H121710   0.123   4.494   4.566  0.3166 -0.7631  0.0961
+ 6754TIP3    H221711   0.151   4.582   4.686  1.1065 -0.0605 -0.5948
+ 6755TIP3   OH221712   0.933   3.918   4.129 -0.2913 -0.3494 -0.1040
+ 6755TIP3    H121713   0.895   4.001   4.100  1.0287  0.1174 -0.5461
+ 6755TIP3    H221714   0.998   3.943   4.194 -1.2426 -1.1962  1.1931
+ 6756TIP3   OH221715   0.679   3.961   6.457 -0.2392 -0.0707  0.0752
+ 6756TIP3    H121716   0.734   3.906   6.402  0.6840 -0.3623  1.2897
+ 6756TIP3    H221717   0.600   3.909   6.472 -0.3502 -0.1266 -0.6735
+ 6757TIP3   OH221718   1.877   4.531   4.523  0.0408  0.0645  0.8554
+ 6757TIP3    H121719   1.949   4.515   4.463  0.6210 -0.1607  1.6062
+ 6757TIP3    H221720   1.852   4.622   4.507 -0.9015 -0.4814 -0.8881
+ 6758TIP3   OH221721   3.199   2.688   6.303 -0.0692 -0.1119 -1.0868
+ 6758TIP3    H121722   3.255   2.756   6.265  0.5858  0.4713  0.8243
+ 6758TIP3    H221723   3.156   2.732   6.377 -0.9742 -1.2994 -0.8975
+ 6759TIP3   OH221724   1.545   3.901   4.700  0.2918 -0.0019  0.2556
+ 6759TIP3    H121725   1.453   3.885   4.676  0.7399  0.7437 -2.1356
+ 6759TIP3    H221726   1.593   3.828   4.661  0.7904 -0.0290  0.9186
+ 6760TIP3   OH221727   0.695   5.073   4.852  0.1300  0.2027 -0.1375
+ 6760TIP3    H121728   0.681   5.167   4.843  0.2738  0.1654 -0.7614
+ 6760TIP3    H221729   0.675   5.054   4.944  2.6081  1.2909  0.6870
+ 6761TIP3   OH221730   1.272   3.968   4.901 -0.4770 -0.3668 -0.5838
+ 6761TIP3    H121731   1.241   4.058   4.889 -0.2195 -0.0979  0.7314
+ 6761TIP3    H221732   1.309   3.944   4.815  0.9417  1.3592 -0.4902
+ 6762TIP3   OH221733   0.503   3.032   3.080  0.0390 -0.5549  0.5345
+ 6762TIP3    H121734   0.585   3.016   3.127  1.0128 -1.0291 -1.2738
+ 6762TIP3    H221735   0.519   3.112   3.030 -1.8816  1.4137  2.9538
+ 6763TIP3   OH221736   5.647   3.125   5.040 -0.3608  0.6704  0.1179
+ 6763TIP3    H121737   5.723   3.094   4.992 -1.4986  1.5723 -2.3554
+ 6763TIP3    H221738   5.587   3.050   5.041  0.0317  0.3599  0.9672
+ 6764TIP3   OH221739   3.690   4.726   4.776  0.7721 -0.0814 -0.3095
+ 6764TIP3    H121740   3.646   4.811   4.770  1.7820  0.6343  1.7524
+ 6764TIP3    H221741   3.622   4.662   4.755 -0.5406  1.1372  0.1621
+ 6765TIP3   OH221742   6.099   3.914   5.599  0.1747 -0.4675 -0.1989
+ 6765TIP3    H121743   6.145   3.934   5.518  1.7441 -0.0111  0.7900
+ 6765TIP3    H221744   6.101   3.995   5.649  2.4188 -1.6973  1.8280
+ 6766TIP3   OH221745   1.536   4.416   5.261 -0.5923  0.1006  0.2773
+ 6766TIP3    H121746   1.443   4.394   5.268 -0.4979 -0.4442 -0.1667
+ 6766TIP3    H221747   1.582   4.334   5.278 -0.2213  0.1133 -0.6234
+ 6767TIP3   OH221748   0.817   1.823   4.389 -0.7702  0.3511 -0.2368
+ 6767TIP3    H121749   0.733   1.829   4.342 -0.4548 -0.1261 -0.8697
+ 6767TIP3    H221750   0.883   1.822   4.320 -0.2185  1.0481  0.2778
+ 6768TIP3   OH221751   1.825   3.855   4.545  0.1565  0.0289  0.6901
+ 6768TIP3    H121752   1.908   3.824   4.581  0.5002 -1.0958 -1.0080
+ 6768TIP3    H221753   1.759   3.798   4.583  0.3952 -0.4094  0.4519
+ 6769TIP3   OH221754   6.863   4.221   3.800 -0.0915  0.4220  0.1985
+ 6769TIP3    H121755   6.851   4.184   3.887  1.2566  1.4863  0.8635
+ 6769TIP3    H221756   6.857   4.145   3.741  1.0072 -0.6320  1.3898
+ 6770TIP3   OH221757   5.481   3.185   5.770  0.1676 -0.3865 -0.1547
+ 6770TIP3    H121758   5.483   3.092   5.746  0.4723 -0.6351  0.8114
+ 6770TIP3    H221759   5.404   3.219   5.724  0.9747 -0.7426 -1.8068
+ 6771TIP3   OH221760   1.806   4.428   5.803 -0.0721 -0.3736  0.1408
+ 6771TIP3    H121761   1.728   4.380   5.830 -0.2087 -0.0180  0.3823
+ 6771TIP3    H221762   1.803   4.510   5.853  0.3820 -0.2968  0.0485
+ 6772TIP3   OH221763   1.443   4.517   2.544  0.3045  0.1245  0.1274
+ 6772TIP3    H121764   1.372   4.578   2.567 -0.9014 -1.5502  0.9739
+ 6772TIP3    H221765   1.509   4.531   2.612 -0.0759  0.3148  0.4604
+ 6773TIP3   OH221766   1.918   5.576   3.460  0.2356  0.1584 -0.1582
+ 6773TIP3    H121767   1.838   5.529   3.483  0.7503 -0.7906 -0.2792
+ 6773TIP3    H221768   1.898   5.668   3.478 -1.1454  0.0233 -0.9489
+ 6774TIP3   OH221769   6.258   2.951   4.242  0.4427 -0.4062 -0.3510
+ 6774TIP3    H121770   6.316   2.966   4.316 -0.0788 -0.5502  0.0898
+ 6774TIP3    H221771   6.222   2.864   4.257 -1.4033  0.4717  0.4155
+ 6775TIP3   OH221772   6.594   5.621   5.527 -0.4375 -0.0289  0.7743
+ 6775TIP3    H121773   6.514   5.636   5.477 -0.1877  1.3720  0.7638
+ 6775TIP3    H221774   6.571   5.643   5.617 -0.4308 -0.9394  1.0043
+ 6776TIP3   OH221775   1.953   3.438   4.727 -0.1373 -0.0288 -0.1719
+ 6776TIP3    H121776   1.926   3.436   4.635 -0.3658  2.7931 -0.2146
+ 6776TIP3    H221777   1.871   3.431   4.776 -0.3264  1.6203 -0.2328
+ 6777TIP3   OH221778   0.317   5.714   5.837  0.0368 -0.3547  0.4625
+ 6777TIP3    H121779   0.264   5.789   5.865 -1.6095 -1.1713 -0.4317
+ 6777TIP3    H221780   0.344   5.673   5.919 -0.8449 -0.0192  0.9300
+ 6778TIP3   OH221781   0.924   5.081   5.243 -0.0400 -0.1373  0.0537
+ 6778TIP3    H121782   0.993   5.046   5.186 -0.0482 -0.0477 -0.0118
+ 6778TIP3    H221783   0.944   5.047   5.330  1.0029  1.1905  0.3446
+ 6779TIP3   OH221784   5.957   3.665   0.171  0.3958 -0.0480 -0.1428
+ 6779TIP3    H121785   5.963   3.633   0.261 -0.6961 -1.6195 -0.6029
+ 6779TIP3    H221786   5.963   3.760   0.178 -0.4702 -0.1154  1.6556
+ 6780TIP3   OH221787   0.351   5.637   6.148  0.1209  0.2320  0.5762
+ 6780TIP3    H121788   0.300   5.657   6.225 -0.8093 -0.7936  0.2397
+ 6780TIP3    H221789   0.324   5.548   6.123 -0.7720  1.1304 -1.8328
+ 6781TIP3   OH221790   1.504   6.613   0.963  0.4768  0.0229  0.0218
+ 6781TIP3    H121791   1.464   6.688   0.919  1.1817  0.8803  0.8235
+ 6781TIP3    H221792   1.441   6.542   0.950  0.0606  0.5982 -1.2227
+ 6782TIP3   OH221793   6.318   4.593   4.200  0.2175  0.3096  0.3501
+ 6782TIP3    H121794   6.370   4.656   4.250  0.7490 -0.0959  0.3090
+ 6782TIP3    H221795   6.380   4.556   4.137 -0.5329  1.1017 -0.8786
+ 6783TIP3   OH221796   5.184   3.572   6.210 -0.2504 -0.1904  0.2607
+ 6783TIP3    H121797   5.245   3.603   6.277 -1.7119  1.6715  0.7976
+ 6783TIP3    H221798   5.238   3.560   6.132  0.9602  0.5741  0.9549
+ 6784TIP3   OH221799   0.333   3.178   4.940 -0.1275 -0.6074  0.0037
+ 6784TIP3    H121800   0.388   3.219   5.007 -0.2092  0.1538 -0.3897
+ 6784TIP3    H221801   0.259   3.142   4.989 -1.3910  1.9852  0.1086
+ 6785TIP3   OH221802   0.635   5.652   0.127 -0.0757 -0.2048 -0.9277
+ 6785TIP3    H121803   0.677   5.718   0.072 -0.7062  1.4754  0.5598
+ 6785TIP3    H221804   0.563   5.699   0.169  0.0009 -1.6226  0.8311
+ 6786TIP3   OH221805   1.460   4.770   4.678 -0.2061 -0.1383  0.1628
+ 6786TIP3    H121806   1.393   4.731   4.734 -0.6963 -0.1313 -0.4147
+ 6786TIP3    H221807   1.541   4.759   4.727 -0.5323 -0.7132  0.5817
+ 6787TIP3   OH221808   0.980   3.083   2.409 -0.1544 -0.1649  0.3801
+ 6787TIP3    H121809   0.927   3.089   2.488 -1.3337  0.1876 -0.4188
+ 6787TIP3    H221810   1.019   2.996   2.413 -0.2926 -0.1893  1.2900
+ 6788TIP3   OH221811   0.292   2.468   4.969 -0.0018  0.0007  0.2190
+ 6788TIP3    H121812   0.244   2.399   4.925  0.4633 -0.3333  0.2318
+ 6788TIP3    H221813   0.294   2.442   5.061 -1.0661  0.7510  0.4628
+ 6789TIP3   OH221814   0.827   5.929   4.059 -0.6323  0.0628 -0.3333
+ 6789TIP3    H121815   0.816   5.872   3.983  1.5714  0.6004 -1.0896
+ 6789TIP3    H221816   0.828   6.017   4.023  2.5008  0.2297  0.0266
+ 6790TIP3   OH221817   0.341   4.589   5.210  0.6549  0.2831  0.3650
+ 6790TIP3    H121818   0.285   4.550   5.277  2.0496 -1.5302  0.5157
+ 6790TIP3    H221819   0.412   4.525   5.198 -0.0583  0.0887 -3.4955
+ 6791TIP3   OH221820   1.202   5.495   5.591  0.5401 -0.0582 -1.0493
+ 6791TIP3    H121821   1.110   5.520   5.594  0.3973 -0.3244 -2.8537
+ 6791TIP3    H221822   1.212   5.448   5.508  2.1330 -0.6768 -0.5241
+ 6792TIP3   OH221823   0.479   3.434   6.698  0.9656  0.3794  0.0122
+ 6792TIP3    H121824   0.475   3.371   6.770 -0.5101 -0.0364 -0.4117
+ 6792TIP3    H221825   0.434   3.511   6.731 -2.4916 -0.8837 -1.4588
+ 6793TIP3   OH221826   1.879   3.866   5.050 -0.0197 -0.0109 -0.0835
+ 6793TIP3    H121827   1.894   3.942   4.994 -2.4697  1.3023  0.9461
+ 6793TIP3    H221828   1.908   3.894   5.136  1.9869 -1.3772 -0.2842
+ 6794TIP3   OH221829   6.376   5.282   4.156  0.0372  0.0544  0.0945
+ 6794TIP3    H121830   6.338   5.369   4.143  1.7255  0.7939 -0.0096
+ 6794TIP3    H221831   6.387   5.247   4.067  0.2972  0.1482  0.0893
+ 6795TIP3   OH221832   2.358   4.293   5.503 -0.1723 -0.2147  0.3184
+ 6795TIP3    H121833   2.363   4.383   5.471 -1.9656  0.4897  1.8975
+ 6795TIP3    H221834   2.411   4.293   5.583 -2.4563  0.2052  1.8803
+ 6796TIP3   OH221835   6.190   1.161   6.365  0.0347  0.0150 -0.8705
+ 6796TIP3    H121836   6.175   1.162   6.459  3.5621  0.7838 -0.2485
+ 6796TIP3    H221837   6.103   1.150   6.327 -1.3521 -1.1998  2.4739
+ 6797TIP3   OH221838   3.060   1.698   5.476 -0.9982  0.8252 -0.0393
+ 6797TIP3    H121839   3.141   1.720   5.431  0.3131 -1.8307  0.8961
+ 6797TIP3    H221840   3.084   1.695   5.569 -2.3285  0.6936  0.3084
+ 6798TIP3   OH221841   0.203   5.347   5.645 -0.4682  0.8377  0.4119
+ 6798TIP3    H121842   0.147   5.380   5.575  0.2149  1.8287  0.3280
+ 6798TIP3    H221843   0.291   5.351   5.609 -0.2001  0.5484  1.0333
+ 6799TIP3   OH221844   0.820   4.058   4.736 -0.2752  0.3584  0.1077
+ 6799TIP3    H121845   0.826   3.976   4.784 -0.3132 -1.1265 -2.3590
+ 6799TIP3    H221846   0.812   4.125   4.804 -1.2878 -1.7515  2.1194
+ 6800TIP3   OH221847   3.692   5.140   6.034 -0.3565 -0.0273  0.0995
+ 6800TIP3    H121848   3.752   5.112   6.103 -0.0916 -1.4176 -0.6806
+ 6800TIP3    H221849   3.656   5.058   5.999 -1.4201  0.7226 -0.5849
+ 6801TIP3   OH221850   6.088   3.301   2.516  0.3408 -0.0547  0.4960
+ 6801TIP3    H121851   6.020   3.280   2.452  0.2936  1.0933  0.1572
+ 6801TIP3    H221852   6.169   3.300   2.466  0.3190  0.7110  0.4441
+ 6802TIP3   OH221853   1.736   2.840   4.385  0.0582  0.3636  0.0250
+ 6802TIP3    H121854   1.667   2.829   4.451  1.0845 -1.3772  0.8498
+ 6802TIP3    H221855   1.802   2.893   4.428  1.8740 -2.8138  1.3897
+ 6803TIP3   OH221856   0.482   6.770   5.467  0.7264 -0.2608 -0.4420
+ 6803TIP3    H121857   0.458   6.677   5.466  0.1724 -0.1216 -0.1057
+ 6803TIP3    H221858   0.565   6.772   5.516  1.1913 -0.6789 -1.1991
+ 6804TIP3   OH221859   6.461   4.786   4.339 -0.9823 -0.3735 -0.3531
+ 6804TIP3    H121860   6.420   4.859   4.386 -0.3848  0.8037 -1.6257
+ 6804TIP3    H221861   6.527   4.753   4.401  0.4674  1.7884 -0.6813
+ 6805TIP3   OH221862   6.725   5.214   5.370 -0.3040 -0.2558  0.2332
+ 6805TIP3    H121863   6.703   5.237   5.280  0.5098  1.5522  0.4708
+ 6805TIP3    H221864   6.649   5.164   5.401 -2.7727  3.2137  0.0654
+ 6806TIP3   OH221865   2.549   2.919   5.035 -0.7371  0.5937 -0.2181
+ 6806TIP3    H121866   2.639   2.949   5.051  0.1859 -1.6097 -1.1655
+ 6806TIP3    H221867   2.498   3.000   5.031  1.4084  1.9616 -1.0439
+ 6807TIP3   OH221868   0.147   4.341   4.441  0.2450 -0.5193  0.3729
+ 6807TIP3    H121869   0.127   4.355   4.348 -1.5905 -0.8214  0.7008
+ 6807TIP3    H221870   0.087   4.272   4.468  1.2756 -0.9406  1.6188
+ 6808TIP3   OH221871   5.175   4.936   2.248 -0.3189 -0.4789 -0.7832
+ 6808TIP3    H121872   5.109   4.885   2.202 -0.1915 -0.3074 -1.1581
+ 6808TIP3    H221873   5.128   5.013   2.280 -0.5013 -0.8119 -0.2517
+ 6809TIP3   OH221874   6.819   3.783   3.311 -0.4705 -0.1545  0.5385
+ 6809TIP3    H121875   6.808   3.878   3.316 -0.1424 -0.1495  1.2189
+ 6809TIP3    H221876   6.736   3.748   3.341  0.3950 -0.0971  3.1384
+ 6810TIP3   OH221877   6.507   3.382   5.485  0.4038  0.0740  0.4739
+ 6810TIP3    H121878   6.572   3.429   5.538  0.4894 -0.4387  0.8275
+ 6810TIP3    H221879   6.431   3.374   5.543 -0.5668  2.0680 -0.4671
+ 6811TIP3   OH221880   0.978   3.449   4.814 -0.2663  0.1609 -0.0373
+ 6811TIP3    H121881   0.959   3.538   4.784 -1.3600  0.6180  1.9315
+ 6811TIP3    H221882   0.897   3.401   4.800 -0.2984 -0.0168  0.7791
+ 6812TIP3   OH221883   0.597   4.624   3.000  0.3533 -0.0562  0.3492
+ 6812TIP3    H121884   0.558   4.617   3.087  0.6773  1.4309  0.6271
+ 6812TIP3    H221885   0.545   4.690   2.956 -0.3325 -1.3987 -0.9028
+ 6813TIP3   OH221886   5.101   4.435   4.587 -0.2878  0.1467 -0.1829
+ 6813TIP3    H121887   5.122   4.376   4.515 -0.5194 -1.0985  0.7437
+ 6813TIP3    H221888   5.131   4.521   4.558 -2.9891  0.2529 -2.9654
+ 6814TIP3   OH221889   6.332   5.158   5.860 -0.2096  0.0204 -0.2446
+ 6814TIP3    H121890   6.302   5.073   5.828 -0.2780  0.3036 -0.9396
+ 6814TIP3    H221891   6.270   5.221   5.823 -0.6936  0.2868  1.0076
+ 6815TIP3   OH221892   1.866   4.051   4.340 -0.4484  0.8595  0.2084
+ 6815TIP3    H121893   1.873   3.964   4.380  1.1091  0.2136 -1.4027
+ 6815TIP3    H221894   1.872   4.111   4.414 -0.9688 -0.3768  1.2880
+ 6816TIP3   OH221895   2.245   5.986   5.135  0.1858 -0.0791  0.0397
+ 6816TIP3    H121896   2.202   6.070   5.120  0.8940  0.1299 -0.8835
+ 6816TIP3    H221897   2.181   5.920   5.107 -0.2667  0.1629  0.5070
+ 6817TIP3   OH221898   3.596   6.695   5.309 -0.2097 -0.1666  0.4112
+ 6817TIP3    H121899   3.638   6.636   5.246 -0.2484  0.3954 -0.1419
+ 6817TIP3    H221900   3.667   6.721   5.369 -0.1527 -0.6246  0.5430
+ 6818TIP3   OH221901   6.882   1.478   5.487  0.4092 -0.1200  0.4842
+ 6818TIP3    H121902   6.907   1.386   5.500  0.1507  0.0919  2.7560
+ 6818TIP3    H221903   6.808   1.491   5.546 -0.0414  1.3570 -0.3964
+ 6819TIP3   OH221904   2.422   5.861   3.331  0.0336  0.1178 -0.4971
+ 6819TIP3    H121905   2.517   5.855   3.335 -0.0322 -0.2033  0.8057
+ 6819TIP3    H221906   2.397   5.903   3.413 -0.9652  0.0627 -0.7586
+ 6820TIP3   OH221907   6.245   3.882   5.122  0.5059 -0.4440  0.4433
+ 6820TIP3    H121908   6.249   3.972   5.155  1.5899  0.3216 -1.6671
+ 6820TIP3    H221909   6.155   3.871   5.092  0.3476 -0.0944  0.7849
+ 6821TIP3   OH221910   6.195   3.524   4.914  0.3951  0.0359  0.6187
+ 6821TIP3    H121911   6.278   3.560   4.943  0.7813 -1.3186  1.2747
+ 6821TIP3    H221912   6.181   3.448   4.971 -0.9035 -0.2087  0.0006
+ 6822TIP3   OH221913   0.966   4.558   4.257  0.6486 -0.3761 -0.1550
+ 6822TIP3    H121914   0.886   4.546   4.307  1.3226 -0.6695  0.8698
+ 6822TIP3    H221915   0.970   4.652   4.241 -0.3603 -0.4652 -1.0058
+ 6823TIP3   OH221916   0.476   3.963   4.156  0.0358 -0.3235  0.7676
+ 6823TIP3    H121917   0.467   3.916   4.239 -0.7419  1.2052  1.5682
+ 6823TIP3    H221918   0.506   4.051   4.181 -0.6676  0.3031 -0.5102
+ 6824TIP3   OH221919   2.796   5.112   4.924 -0.8838  0.1751  0.2078
+ 6824TIP3    H121920   2.820   5.181   4.986 -0.9088 -0.0459  0.4646
+ 6824TIP3    H221921   2.704   5.093   4.944 -0.8187 -0.0718  0.2686
+ 6825TIP3   OH221922   2.162   2.754   5.427 -0.2545  0.3862  0.1362
+ 6825TIP3    H121923   2.207   2.837   5.407  0.9189 -0.0184  1.0235
+ 6825TIP3    H221924   2.229   2.701   5.470 -1.1839 -0.7992  0.1248
+ 6826TIP3   OH221925   6.019   5.855   3.792 -0.4579  0.7860  0.0213
+ 6826TIP3    H121926   5.993   5.765   3.811  0.0369  0.5429 -0.4135
+ 6826TIP3    H221927   6.104   5.846   3.748 -0.3946  1.4650 -0.0010
+ 6827TIP3   OH221928   1.851   1.926   4.542 -0.1622 -0.4157  0.7926
+ 6827TIP3    H121929   1.924   1.892   4.489 -0.5765  1.1741 -0.8469
+ 6827TIP3    H221930   1.855   1.875   4.623  1.5772 -1.6963 -0.0524
+ 6828TIP3   OH221931   2.326   3.013   4.782 -0.2328  0.0392  0.7444
+ 6828TIP3    H121932   2.260   3.053   4.726 -0.7595 -1.4838  0.2816
+ 6828TIP3    H221933   2.383   2.965   4.722 -0.9318 -1.7919  1.5301
+ 6829TIP3   OH221934   6.755   6.346   6.534 -0.2264 -0.2049  0.3272
+ 6829TIP3    H121935   6.693   6.367   6.465 -0.7196  0.7981  1.0635
+ 6829TIP3    H221936   6.762   6.251   6.532  0.7213 -0.1112 -1.9163
+ 6830TIP3   OH221937   6.173   5.855   5.686  0.0344 -0.3560 -0.2143
+ 6830TIP3    H121938   6.082   5.872   5.661  0.0288  0.3500  0.2638
+ 6830TIP3    H221939   6.196   5.928   5.743  1.1009 -0.2130 -0.8169
+ 6831TIP3   OH221940   0.121   5.972   0.309 -0.0844 -0.0273 -0.1445
+ 6831TIP3    H121941   0.114   5.900   0.372 -1.1783  0.9705  0.9096
+ 6831TIP3    H221942   0.189   5.944   0.248 -0.8156 -2.1738 -0.0373
+ 6832TIP3   OH221943   1.063   3.223   3.851 -0.1622 -0.0424 -0.3220
+ 6832TIP3    H121944   1.098   3.312   3.852  3.5863 -1.3817 -0.4762
+ 6832TIP3    H221945   1.067   3.194   3.942 -0.3519 -0.3712 -0.4160
+ 6833TIP3   OH221946   0.032   5.079   4.765 -0.0996 -0.4757  0.2788
+ 6833TIP3    H121947   0.111   5.058   4.814 -0.5074 -1.6714  0.4502
+ 6833TIP3    H221948   0.043   5.033   4.682 -0.4802 -0.4003  0.1858
+ 6834TIP3   OH221949   0.229   5.487   6.452 -0.1286  0.0513 -0.0730
+ 6834TIP3    H121950   0.242   5.393   6.436  0.1753  0.0422  0.2233
+ 6834TIP3    H221951   0.144   5.507   6.412 -0.1191 -0.3154 -0.2781
+ 6835TIP3   OH221952   1.654   4.443   4.925 -0.4122 -0.5723 -0.1434
+ 6835TIP3    H121953   1.574   4.450   4.977  0.1023  1.7734  0.4056
+ 6835TIP3    H221954   1.694   4.361   4.953 -2.4164 -1.5745 -0.1362
+ 6836TIP3   OH221955   0.928   2.523   5.005  0.1276 -0.5798 -0.7765
+ 6836TIP3    H121956   0.849   2.574   4.989  0.5043 -0.4134 -2.1143
+ 6836TIP3    H221957   0.984   2.580   5.058 -0.3632 -0.4469 -0.4004
+ 6837TIP3   OH221958   1.498   3.690   3.550  0.7185 -0.5581  0.2260
+ 6837TIP3    H121959   1.464   3.696   3.640 -0.6463 -2.1536 -0.1639
+ 6837TIP3    H221960   1.592   3.674   3.562  0.5115 -0.9829  1.3643
+ 6838TIP3   OH221961   6.867   3.434   5.905  0.1922 -0.1276  0.3844
+ 6838TIP3    H121962   6.951   3.474   5.884  0.7627 -1.3187  0.3357
+ 6838TIP3    H221963   6.877   3.342   5.880 -0.8724 -0.4390  1.0488
+ 6839TIP3   OH221964   5.611   4.373   6.078 -0.0068  0.9539 -0.4748
+ 6839TIP3    H121965   5.587   4.333   6.162  0.5335  1.2810 -0.1650
+ 6839TIP3    H221966   5.684   4.320   6.046 -0.6720  0.3925 -1.0818
+ 6840TIP3   OH221967   6.807   4.055   3.342  0.1314 -0.6230  0.3024
+ 6840TIP3    H121968   6.815   4.037   3.435  2.0166 -1.7115 -0.0290
+ 6840TIP3    H221969   6.871   4.124   3.325 -1.8292  1.2028  0.2125
+ 6841TIP3   OH221970   3.413   6.526   3.968  0.2855  0.6099 -0.0124
+ 6841TIP3    H121971   3.329   6.572   3.980 -0.6372 -1.4478  1.7472
+ 6841TIP3    H221972   3.406   6.449   4.024  1.7391 -1.8098 -3.0166
+ 6842TIP3   OH221973   6.211   4.562   6.672  0.7235  0.1219  0.1272
+ 6842TIP3    H121974   6.306   4.576   6.677  0.7142  0.1661  0.1870
+ 6842TIP3    H221975   6.201   4.487   6.614  0.6970  1.2319 -1.3407
+ 6843TIP3   OH221976   3.476   6.634   0.919  0.3057 -0.6781 -0.1568
+ 6843TIP3    H121977   3.384   6.639   0.894  0.3778  1.7307 -0.0699
+ 6843TIP3    H221978   3.516   6.577   0.853 -1.1782 -1.5018 -0.3609
+ 6844TIP3   OH221979   5.505   3.602   3.435 -0.2321  0.6964 -0.4102
+ 6844TIP3    H121980   5.536   3.512   3.423 -0.2893  0.5886  0.2298
+ 6844TIP3    H221981   5.415   3.600   3.400 -0.0369  0.6432 -0.9078
+ 6845TIP3   OH221982   6.723   5.023   4.226 -0.3874 -0.3158  0.5858
+ 6845TIP3    H121983   6.664   4.963   4.182 -0.0498  0.0600 -0.3934
+ 6845TIP3    H221984   6.785   4.966   4.273 -0.1414 -0.7313 -0.2392
+ 6846TIP3   OH221985   5.039   3.533   5.494 -0.2427  0.4381 -0.4233
+ 6846TIP3    H121986   5.044   3.465   5.562  2.0009  1.2208  0.2388
+ 6846TIP3    H221987   5.126   3.535   5.455 -0.8200  1.6696 -1.7075
+ 6847TIP3   OH221988   0.318   5.381   0.084 -0.7179 -0.3403  0.0290
+ 6847TIP3    H121989   0.277   5.397  -0.001 -0.2045 -1.3667 -0.4153
+ 6847TIP3    H221990   0.245   5.360   0.142 -0.9703 -0.6396 -0.3967
+ 6848TIP3   OH221991   5.886   5.570   3.905 -0.3055  0.3417  0.7082
+ 6848TIP3    H121992   5.859   5.567   3.813  0.2139 -0.3711  0.5761
+ 6848TIP3    H221993   5.805   5.560   3.954 -0.7775  2.1789  0.3475
+ 6849TIP3   OH221994   0.816   2.761   4.413  0.0456  0.4218  0.3342
+ 6849TIP3    H121995   0.760   2.703   4.361  0.1641  1.5705 -1.0939
+ 6849TIP3    H221996   0.845   2.828   4.352  0.5653  1.5459  1.7772
+ 6850TIP3   OH221997   6.438   4.276   5.003  0.3473  0.3043 -0.6891
+ 6850TIP3    H121998   6.509   4.279   5.068 -1.2679  0.1108  1.1384
+ 6850TIP3    H221999   6.442   4.187   4.967  0.9799  0.2740 -0.5537
+ 6851TIP3   OH222000   0.430   4.142   3.951 -0.1449  0.0558 -0.4352
+ 6851TIP3    H122001   0.401   4.102   3.869  1.3757  0.7260 -1.3365
+ 6851TIP3    H222002   0.475   4.071   3.997 -1.7364 -0.5443  0.2153
+ 6852TIP3   OH222003   6.273   5.521   4.482  1.0920  0.6570  0.1184
+ 6852TIP3    H122004   6.275   5.434   4.523  0.9735 -0.2000 -1.6339
+ 6852TIP3    H222005   6.365   5.546   4.477  1.1334  0.5950  0.5635
+ 6853TIP3   OH222006   0.500   3.754   5.119  0.0059  0.1444 -0.2487
+ 6853TIP3    H122007   0.451   3.676   5.091  0.9058 -1.0329  1.3861
+ 6853TIP3    H222008   0.589   3.739   5.088  0.0786  0.7328 -0.3260
+ 6854TIP3   OH222009   0.789   1.209   6.622 -0.0963 -0.0316  0.2173
+ 6854TIP3    H122010   0.862   1.148   6.628 -0.8812 -1.0201 -0.0356
+ 6854TIP3    H222011   0.803   1.271   6.694  0.2034 -1.0838  1.0846
+ 6855TIP3   OH222012   6.526   4.680   5.343 -0.2225  0.3138 -0.0311
+ 6855TIP3    H122013   6.519   4.747   5.412 -1.9493  0.9681 -0.8246
+ 6855TIP3    H222014   6.589   4.717   5.281 -0.1386  0.5942  0.2167
+ 6856TIP3   OH222015   6.623   5.367   4.565 -0.0544  0.5485  0.7585
+ 6856TIP3    H122016   6.588   5.314   4.494 -0.5488  1.1119  0.5774
+ 6856TIP3    H222017   6.595   5.456   4.545 -0.8258  0.6125  2.0330
+ 6857TIP3   OH222018   5.658   5.635   4.670 -0.2005  0.1523 -0.1369
+ 6857TIP3    H122019   5.630   5.709   4.617 -1.0262  0.4050  0.6386
+ 6857TIP3    H222020   5.582   5.614   4.725 -0.1803 -1.6205 -0.7312
+ 6858TIP3   OH222021   1.049   5.044   6.823  0.2982 -0.0852  0.2428
+ 6858TIP3    H122022   1.136   5.063   6.788 -0.2029  1.3898 -0.2256
+ 6858TIP3    H222023   1.063   5.030   6.916  1.2748 -1.5702 -0.0968
+ 6859TIP3   OH222024   6.380   5.720   3.313  0.4066 -0.1025 -0.1705
+ 6859TIP3    H122025   6.330   5.649   3.351  1.1047 -0.5965 -0.1734
+ 6859TIP3    H222026   6.427   5.680   3.240  2.6257 -0.1581  1.2639
+ 6860TIP3   OH222027   0.963   3.801   3.882  0.2959  0.3798 -0.2490
+ 6860TIP3    H122028   0.949   3.840   3.968  2.3285  1.9028 -0.5794
+ 6860TIP3    H222029   0.876   3.773   3.854 -0.8100  2.3341  1.1357
+ 6861TIP3   OH222030   5.252   3.922   2.442  0.1200  0.5061  0.0802
+ 6861TIP3    H122031   5.218   3.965   2.520  0.6024 -1.0516  1.1745
+ 6861TIP3    H222032   5.177   3.918   2.382 -0.3391  1.4272  0.5878
+ 6862TIP3   OH222033   1.179   4.358   4.497  0.5084  0.0479  0.0830
+ 6862TIP3    H122034   1.224   4.278   4.523  0.3330 -0.0633  0.0450
+ 6862TIP3    H222035   1.245   4.410   4.451  0.2891 -0.6371 -1.0383
+ 6863TIP3   OH222036   6.830   3.228   4.453 -0.4029  0.1058  0.2406
+ 6863TIP3    H122037   6.884   3.271   4.519 -1.5292  2.3807 -0.2536
+ 6863TIP3    H222038   6.821   3.138   4.484  3.3883 -0.2711  0.4746
+ 6864TIP3   OH222039   6.882   4.097   5.831  0.5212 -0.3262 -0.5159
+ 6864TIP3    H122040   6.849   4.116   5.919  0.4235 -1.2734 -0.3458
+ 6864TIP3    H222041   6.929   4.014   5.841  2.6823  0.8164 -0.8202
+ 6865TIP3   OH222042   5.980   5.129   6.332 -0.2732 -0.3204 -0.1382
+ 6865TIP3    H122043   5.935   5.051   6.299  0.7318 -1.4278  1.0456
+ 6865TIP3    H222044   6.034   5.158   6.258 -0.5396 -0.8394 -0.5417
+ 6866TIP3   OH222045   1.453   4.601   5.934 -0.0321  0.2109 -0.0980
+ 6866TIP3    H122046   1.371   4.597   5.984 -0.0063  1.5930  0.0904
+ 6866TIP3    H222047   1.475   4.694   5.933  2.9762 -0.4210  2.1625
+ 6867TIP3   OH222048   0.603   5.762   4.646  0.1279  0.0792  0.1471
+ 6867TIP3    H122049   0.557   5.843   4.625 -0.4020 -0.0693  0.7182
+ 6867TIP3    H222050   0.572   5.739   4.734  0.7547 -0.4014  0.2485
+ 6868TIP3   OH222051   2.573   3.190   5.701  0.4862 -0.0073 -0.4646
+ 6868TIP3    H122052   2.517   3.202   5.777  1.1209  1.7370 -0.2602
+ 6868TIP3    H222053   2.623   3.111   5.721  0.9785  0.6861  1.1468
+ 6869TIP3   OH222054   6.842   4.545   6.333  0.3859  0.0715  0.0918
+ 6869TIP3    H122055   6.916   4.564   6.274  0.6067 -0.4111  0.2156
+ 6869TIP3    H222056   6.883   4.527   6.417  0.2718 -2.3415 -0.3481
+ 6870TIP3   OH222057   0.876   5.850   6.133  0.0749 -0.1435  0.1768
+ 6870TIP3    H122058   0.953   5.798   6.110  0.9698  0.9595  0.6603
+ 6870TIP3    H222059   0.802   5.791   6.117  1.0297 -1.3104  0.0004
+ 6871TIP3   OH222060   0.207   5.760   4.185  0.3025  0.3212 -0.0182
+ 6871TIP3    H122061   0.226   5.727   4.098  1.7725  1.3264 -0.1080
+ 6871TIP3    H222062   0.112   5.751   4.195  0.4937 -2.4953 -0.5732
+ 6872TIP3   OH222063   1.082   4.782   5.825  0.0656 -0.1158 -0.3346
+ 6872TIP3    H122064   1.019   4.847   5.794  0.4104 -0.4588 -1.7661
+ 6872TIP3    H222065   1.151   4.780   5.758  1.4198 -0.0104  1.0247
+ 6873TIP3   OH222066   0.028   5.556   3.608  0.2944 -0.0218  0.0953
+ 6873TIP3    H122067   0.017   5.587   3.698  0.5111 -1.6175  0.6806
+ 6873TIP3    H222068   0.044   5.462   3.616 -2.2967 -0.6899 -1.7705
+ 6874TIP3   OH222069   0.290   6.471   0.640 -0.4660 -0.6109 -0.6717
+ 6874TIP3    H122070   0.383   6.480   0.658 -0.7363  1.9837 -0.4224
+ 6874TIP3    H222071   0.273   6.532   0.568 -2.4191  0.7934  0.9067
+ 6875TIP3   OH222072   1.426   3.571   6.522 -0.6190  0.2085 -0.3710
+ 6875TIP3    H122073   1.403   3.500   6.581  1.3579  0.8521  1.2525
+ 6875TIP3    H222074   1.509   3.544   6.483 -0.2172  1.2950 -0.2838
+ 6876TIP3   OH222075   1.419   4.843   2.649  0.4677 -0.1706  0.0195
+ 6876TIP3    H122076   1.500   4.843   2.701 -0.4200 -2.1835  1.4934
+ 6876TIP3    H222077   1.442   4.890   2.570  2.9987 -0.3599  0.5742
+ 6877TIP3   OH222078   5.819   5.279   5.208  0.6314 -0.5756  0.1046
+ 6877TIP3    H122079   5.832   5.228   5.288  1.1564  0.4182  0.6630
+ 6877TIP3    H222080   5.836   5.370   5.234 -1.1130  0.0058 -0.6691
+ 6878TIP3   OH222081   6.657   4.137   5.643  0.3263 -0.5586 -0.4212
+ 6878TIP3    H122082   6.596   4.090   5.700  0.7533 -1.0974 -0.4029
+ 6878TIP3    H222083   6.743   4.119   5.681  0.3967  1.2265  0.2960
+ 6879TIP3   OH222084   0.682   5.672   5.493 -0.2941 -0.4842  0.6107
+ 6879TIP3    H122085   0.652   5.693   5.404 -0.9958 -2.4937  0.3467
+ 6879TIP3    H222086   0.601   5.671   5.544  0.0660  0.2474  1.2030
+ 6880TIP3   OH222087   2.297   5.274   2.964 -0.1065  0.2283  0.4077
+ 6880TIP3    H122088   2.291   5.320   2.881 -0.7398  0.3840  0.5370
+ 6880TIP3    H222089   2.381   5.228   2.960 -0.6820 -0.7569 -0.8340
+ 6881TIP3   OH222090   1.069   3.345   5.054 -0.5991  0.0106 -0.2674
+ 6881TIP3    H122091   1.033   3.377   4.972 -1.8787 -2.8623 -0.8754
+ 6881TIP3    H222092   1.123   3.269   5.029  2.3616  1.5488  1.1091
+ 6882TIP3   OH222093   6.785   2.662   3.389  0.5185 -0.0548  0.5236
+ 6882TIP3    H122094   6.799   2.571   3.362  0.3348 -0.1374  0.7072
+ 6882TIP3    H222095   6.823   2.714   3.318 -1.1192 -0.2646 -0.5394
+ 6883TIP3   OH222096   0.959   2.477   5.788  0.4837 -0.4399  0.0386
+ 6883TIP3    H122097   1.023   2.530   5.741  0.3454 -1.9906 -1.9247
+ 6883TIP3    H222098   0.957   2.393   5.742  0.1966 -1.9564  2.6686
+ 6884TIP3   OH222099   6.649   4.264   5.186  0.4549 -0.5914 -0.2857
+ 6884TIP3    H122100   6.721   4.306   5.234 -0.8948 -0.3973  1.6253
+ 6884TIP3    H222101   6.599   4.217   5.254 -0.6717 -1.5271 -1.7265
+ 6885TIP3   OH222102   1.333   4.986   6.344 -0.5881 -0.1645  0.1377
+ 6885TIP3    H122103   1.254   4.946   6.379 -0.8212 -0.2119 -0.4369
+ 6885TIP3    H222104   1.324   5.079   6.363 -1.4229  0.0248 -1.1344
+ 6886TIP3   OH222105   6.630   2.167   6.403  0.2734 -0.1256 -0.2818
+ 6886TIP3    H122106   6.536   2.187   6.399  0.4224  0.3853 -1.5781
+ 6886TIP3    H222107   6.673   2.252   6.390  0.9192 -0.1015  1.9477
+ 6887TIP3   OH222108   0.573   2.940   5.218  0.1821  0.5045  0.6753
+ 6887TIP3    H122109   0.490   2.980   5.242 -0.5238 -1.0872  0.9892
+ 6887TIP3    H222110   0.614   2.918   5.302 -0.6235 -1.7431  0.5246
+ 6888TIP3   OH222111   6.522   4.630   4.857 -0.1371  0.5587 -0.4842
+ 6888TIP3    H122112   6.609   4.629   4.896 -0.6789  0.4823  0.7234
+ 6888TIP3    H222113   6.507   4.722   4.832  0.2881  0.5672 -0.7150
+ 6889TIP3   OH222114   6.323   5.619   5.123 -0.3052 -0.1891 -0.1168
+ 6889TIP3    H122115   6.314   5.525   5.141 -0.2947 -0.1488  0.1078
+ 6889TIP3    H222116   6.236   5.646   5.093 -0.3549 -0.2392 -0.0222
+ 6890TIP3   OH222117   0.732   2.480   5.950 -0.3790 -0.9019  0.0718
+ 6890TIP3    H122118   0.690   2.565   5.961  1.3465 -0.0618  0.2825
+ 6890TIP3    H222119   0.791   2.491   5.875  0.8553 -1.4977  0.9362
+ 6891TIP3   OH222120   0.857   2.978   3.027  0.0067 -0.5780 -0.0368
+ 6891TIP3    H122121   0.859   3.041   2.954 -1.2323 -0.5854 -0.0892
+ 6891TIP3    H222122   0.822   2.898   2.988 -0.8980 -0.5056  0.6163
+ 6892TIP3   OH222123   0.142   3.050   4.765 -0.7835  0.2685  0.9162
+ 6892TIP3    H122124   0.213   3.101   4.805  0.1372  1.3888 -1.9741
+ 6892TIP3    H222125   0.187   2.982   4.715 -1.7233  0.7904 -0.6721
+ 6893TIP3   OH222126   5.834   2.824   5.538 -0.6473  0.2187  0.4211
+ 6893TIP3    H122127   5.880   2.839   5.455  1.2867 -0.9818  1.2594
+ 6893TIP3    H222128   5.809   2.732   5.535  1.6489 -0.5074  2.2261
+ 6894TIP3   OH222129   0.203   6.654   2.892  0.1838  0.1380  0.6214
+ 6894TIP3    H122130   0.277   6.714   2.903  0.4115  0.0552 -0.3584
+ 6894TIP3    H222131   0.158   6.655   2.976  1.2786  0.2176  1.2166
+ 6895TIP3   OH222132   1.604   5.344   2.692  0.5206 -0.0066 -0.6503
+ 6895TIP3    H122133   1.664   5.280   2.656  0.3219 -0.2676 -0.5232
+ 6895TIP3    H222134   1.595   5.320   2.784  0.9844  0.6214 -0.4353
+ 6896TIP3   OH222135   0.864   5.915   5.033 -0.4288  0.7967  0.0495
+ 6896TIP3    H122136   0.824   6.001   5.022 -0.6104  0.9181  1.5607
+ 6896TIP3    H222137   0.958   5.931   5.028 -0.4881  0.8266 -1.3077
+ 6897TIP3   OH222138   2.168   5.084   4.261 -0.4905 -0.0929 -0.2243
+ 6897TIP3    H122139   2.122   5.000   4.262 -1.2380  0.2989  1.9070
+ 6897TIP3    H222140   2.261   5.060   4.263 -0.7062 -0.9030  0.8674
+ 6898TIP3   OH222141   1.685   5.319   5.936 -0.0832  0.5617 -0.7985
+ 6898TIP3    H122142   1.608   5.309   5.993 -0.7836  0.2542 -1.7687
+ 6898TIP3    H222143   1.719   5.230   5.926  0.8319  0.7924  0.2036
+ 6899TIP3   OH222144   0.188   4.091   4.151  0.4703  0.2048 -0.0503
+ 6899TIP3    H122145   0.277   4.071   4.122  0.7696  0.2591  0.8090
+ 6899TIP3    H222146   0.186   4.186   4.159  1.0987  0.0568  2.2727
+ 6900TIP3   OH222147   1.573   4.434   4.128 -0.1796 -0.4057 -0.3658
+ 6900TIP3    H122148   1.527   4.395   4.054  0.1272  0.7907 -1.2030
+ 6900TIP3    H222149   1.601   4.520   4.097  0.8537 -0.2962  0.7957
+ 6901TIP3   OH222150   1.062   2.871   4.640  0.3707 -0.3540 -0.2499
+ 6901TIP3    H122151   1.047   2.776   4.641  0.9045 -0.4698 -2.0643
+ 6901TIP3    H222152   0.978   2.908   4.668  0.4795 -1.3708  1.5349
+ 6902TIP3   OH222153   6.666   5.053   3.916 -0.0814 -0.0592 -0.5070
+ 6902TIP3    H122154   6.740   5.031   3.973  0.7115  1.5261 -0.8877
+ 6902TIP3    H222155   6.663   4.982   3.852  1.9852  0.5233 -1.2982
+ 6903TIP3   OH222156   1.042   6.175   5.198 -0.0400  0.0307  0.1809
+ 6903TIP3    H122157   1.112   6.202   5.258 -0.0905  0.2012  0.1651
+ 6903TIP3    H222158   0.996   6.257   5.177  0.3860  0.0705 -0.6133
+ 6904TIP3   OH222159   2.321   6.592   2.999 -0.5415 -0.5653 -0.5545
+ 6904TIP3    H122160   2.402   6.542   3.005  0.5862  1.0735 -1.7930
+ 6904TIP3    H222161   2.319   6.644   3.079 -0.0522 -0.1461 -0.8116
+ 6905TIP3   OH222162   2.415   4.966   4.271  0.4926  0.4099  0.0184
+ 6905TIP3    H122163   2.467   5.026   4.324 -1.2248  0.0500  2.1863
+ 6905TIP3    H222164   2.458   4.881   4.282  0.8516  0.5607 -0.1874
+ 6906TIP3   OH222165   1.725   4.145   4.130 -0.1097 -0.7102  0.1283
+ 6906TIP3    H122166   1.778   4.108   4.202 -0.2280  0.0639  0.6201
+ 6906TIP3    H222167   1.683   4.222   4.169  0.0809 -0.0962 -0.8659
+ 6907TIP3   OH222168   0.759   4.515   4.428 -0.1986  0.0213  0.2381
+ 6907TIP3    H122169   0.846   4.522   4.469 -0.4694  0.6056  0.7308
+ 6907TIP3    H222170   0.719   4.439   4.470 -0.4609  0.5960  1.0641
+ 6908TIP3   OH222171   2.431   4.679   4.923  0.4523  0.1864 -0.9575
+ 6908TIP3    H122172   2.365   4.730   4.876  1.7126  1.5369 -1.2895
+ 6908TIP3    H222173   2.388   4.652   5.004 -0.2293  1.7646 -0.7933
+ 6909TIP3   OH222174   1.472   2.846   4.954  0.1988 -0.9583 -0.8199
+ 6909TIP3    H122175   1.538   2.788   4.990  1.2209 -0.4811 -1.8538
+ 6909TIP3    H222176   1.523   2.918   4.915 -0.8826 -1.0231 -2.3951
+ 6910TIP3   OH222177   0.540   3.540   4.496 -0.0000  0.4498 -0.4604
+ 6910TIP3    H122178   0.627   3.576   4.479  0.1241  0.5711  0.3822
+ 6910TIP3    H222179   0.501   3.529   4.410  1.8908 -2.2303 -1.0385
+ 6911TIP3   OH222180   0.882   0.700   3.392  0.1788 -0.4582 -0.0074
+ 6911TIP3    H122181   0.870   0.788   3.428 -1.5499 -0.8921  0.5490
+ 6911TIP3    H222182   0.945   0.711   3.321  2.3376  0.6915  2.0300
+ 6912TIP3   OH222183   1.510   2.059   4.592  0.3129 -0.4216  0.3352
+ 6912TIP3    H122184   1.598   2.097   4.596  0.3020 -0.5186  1.4295
+ 6912TIP3    H222185   1.452   2.131   4.618 -0.1330  0.2866 -2.3894
+ 6913TIP3   OH222186   0.538   3.255   0.893 -0.1740  0.2176 -0.5811
+ 6913TIP3    H122187   0.505   3.167   0.914 -3.1504  1.1318 -1.2157
+ 6913TIP3    H222188   0.483   3.314   0.944  0.1651  1.8373 -2.0527
+ 6914TIP3   OH222189   1.942   3.191   5.163  0.4260 -0.0226  0.3704
+ 6914TIP3    H122190   1.942   3.124   5.095 -1.2161 -0.5875  0.9004
+ 6914TIP3    H222191   1.858   3.236   5.153 -0.1733 -0.6159  2.4980
+ 6915TIP3   OH222192   1.300   4.590   5.684  0.0194 -0.1812  1.3732
+ 6915TIP3    H122193   1.359   4.592   5.760  1.7946  2.0017 -0.0003
+ 6915TIP3    H222194   1.323   4.510   5.638  2.8926  1.2605  0.1674
+ 6916TIP3   OH222195   1.266   4.612   3.904 -0.1613 -0.0482  0.5960
+ 6916TIP3    H122196   1.257   4.614   3.999 -1.0481  0.9142  0.5074
+ 6916TIP3    H222197   1.223   4.531   3.877  0.2228 -0.3985  1.0133
+ 6917TIP3   OH222198   1.505   3.002   5.517  0.5286  0.0883 -0.3335
+ 6917TIP3    H122199   1.488   2.987   5.610 -1.4856  0.1398 -0.6565
+ 6917TIP3    H222200   1.552   2.925   5.488  0.7002 -0.1730  0.6157
+ 6918TIP3   OH222201   0.479   2.064   3.434 -0.0356 -0.5535  0.3214
+ 6918TIP3    H122202   0.543   2.127   3.402  0.0994 -0.9305 -0.1600
+ 6918TIP3    H222203   0.420   2.115   3.489  1.9607 -0.6220  2.5720
+ 6919TIP3   OH222204   0.885   2.364   4.555 -0.1902 -0.4882 -0.0791
+ 6919TIP3    H122205   0.806   2.351   4.607 -0.9607  0.2682 -1.0466
+ 6919TIP3    H222206   0.853   2.391   4.469  1.0502 -2.1668 -1.0893
+ 6920TIP3   OH222207   1.633   3.248   5.473 -0.1688 -0.1000 -0.1231
+ 6920TIP3    H122208   1.578   3.179   5.509 -0.2923 -0.5258 -1.0963
+ 6920TIP3    H222209   1.572   3.314   5.441 -0.1066 -0.3053 -0.6789
+ 6921TIP3   OH222210   5.802   1.657   3.917 -0.5709 -0.2448  0.4149
+ 6921TIP3    H122211   5.825   1.565   3.930  1.1251 -0.1965 -2.0673
+ 6921TIP3    H222212   5.885   1.700   3.895 -1.8718  1.2614 -1.6788
+ 6922TIP3   OH222213   1.388   6.326   6.089  0.3595 -0.0709  0.5550
+ 6922TIP3    H122214   1.310   6.287   6.130  0.1928 -0.2653  0.0609
+ 6922TIP3    H222215   1.415   6.394   6.150 -0.2361  0.0389  0.7072
+ 6923TIP3   OH222216   6.851   5.348   4.734  0.0685  0.7036  0.7167
+ 6923TIP3    H122217   6.769   5.329   4.689  0.6897 -0.2588 -0.0208
+ 6923TIP3    H222218   6.898   5.265   4.737  1.8600  1.6284 -0.6150
+ 6924TIP3   OH222219   0.848   6.423   5.103 -0.2447 -0.4145  0.3944
+ 6924TIP3    H122220   0.875   6.497   5.049 -0.5120 -0.1372  0.6392
+ 6924TIP3    H222221   0.785   6.460   5.164 -0.9416 -0.9875  0.0378
+ 6925TIP3   OH222222   1.637   5.592   5.859  0.3757 -0.4248  0.0489
+ 6925TIP3    H122223   1.603   5.568   5.773 -3.1853  0.5203  1.1157
+ 6925TIP3    H222224   1.677   5.512   5.893 -0.9985 -1.6519 -1.1995
+ 6926TIP3   OH222225   0.658   4.929   5.409  0.5054  0.3033 -0.1359
+ 6926TIP3    H122226   0.703   4.845   5.403 -0.8381 -0.3903 -0.5877
+ 6926TIP3    H222227   0.565   4.907   5.411  0.1952  1.6350  2.2623
+ 6927TIP3   OH222228   0.800   5.414   6.429  0.2579 -0.4730 -0.3243
+ 6927TIP3    H122229   0.887   5.391   6.461  1.0216  1.9172 -0.5927
+ 6927TIP3    H222230   0.775   5.490   6.481 -2.7148 -2.5083  1.4015
+ 6928TIP3   OH222231   6.854   0.215   6.833  0.0482  0.0329 -0.4092
+ 6928TIP3    H122232   6.917   0.206   6.905  2.3296  1.4917 -2.1302
+ 6928TIP3    H222233   6.769   0.194   6.872  1.0068  2.2107  3.0890
+ 6929TIP3   OH222234   6.815   6.022   0.131 -0.0910  0.5842  0.1671
+ 6929TIP3    H122235   6.730   6.018   0.174 -0.8333 -0.9982 -1.3870
+ 6929TIP3    H222236   6.877   5.990   0.197 -1.3451 -2.8435 -0.1874
+ 6930TIP3   OH222237   2.134   5.066   6.294  0.2489  0.1534 -0.3647
+ 6930TIP3    H122238   2.123   5.052   6.200 -1.4846  0.0114 -0.1560
+ 6930TIP3    H222239   2.047   5.049   6.331  1.1679 -0.8632  1.3947
+ 6931TIP3   OH222240   3.004   0.911   3.898  0.3667 -0.0629 -0.4337
+ 6931TIP3    H122241   2.931   0.894   3.838  0.7773 -2.2781 -0.3759
+ 6931TIP3    H222242   2.963   0.920   3.984 -0.0356  1.0067 -0.7323
+ 6932TIP3   OH222243   5.440   4.363   5.030 -0.8648  0.8474  0.6241
+ 6932TIP3    H122244   5.370   4.312   4.988 -0.1188 -0.3559  0.8389
+ 6932TIP3    H222245   5.394   4.420   5.092 -1.6841  0.2976  0.5260
+ 6933TIP3   OH222246   2.209   6.140   4.336 -0.0823 -0.3884  0.0956
+ 6933TIP3    H122247   2.302   6.152   4.320 -0.1947 -0.3114 -0.4969
+ 6933TIP3    H222248   2.184   6.217   4.388 -0.1188  0.3298 -0.9750
+ 6934TIP3   OH222249   2.240   2.744   4.830  0.5790 -0.3301 -0.0384
+ 6934TIP3    H122250   2.303   2.689   4.784 -0.0107 -1.1898  0.1644
+ 6934TIP3    H222251   2.277   2.832   4.825  1.1018 -0.6003 -1.1302
+ 6935TIP3   OH222252   2.085   1.911   5.619  0.2575  0.2017 -0.8498
+ 6935TIP3    H122253   2.008   1.966   5.606  1.3803  1.9618 -0.1327
+ 6935TIP3    H222254   2.125   1.904   5.533 -0.3327 -0.1983 -1.1000
+ 6936TIP3   OH222255   2.156   4.202   4.546  0.4873 -0.0238  0.6178
+ 6936TIP3    H122256   2.210   4.281   4.538  3.2791 -1.9908 -0.5686
+ 6936TIP3    H222257   2.215   4.130   4.527 -2.6770 -2.2623 -1.2115
+ 6937TIP3   OH222258   1.299   5.068   3.757  0.6066  0.4485  0.5645
+ 6937TIP3    H122259   1.226   5.125   3.734  1.8291  1.2324 -1.6232
+ 6937TIP3    H222260   1.333   5.104   3.839 -0.7933  0.7183  1.0289
+ 6938TIP3   OH222261   5.595   4.977   4.739 -0.2304  0.7220 -0.2770
+ 6938TIP3    H122262   5.632   4.913   4.800  1.1894  1.3361 -0.4792
+ 6938TIP3    H222263   5.503   4.952   4.731 -0.3250  0.3704  1.7619
+ 6939TIP3   OH222264   0.775   4.852   2.367 -0.5281  0.1296  0.4900
+ 6939TIP3    H122265   0.799   4.927   2.313  2.3242  0.7876  2.5986
+ 6939TIP3    H222266   0.743   4.891   2.449  1.7280 -0.9053  1.9031
+ 6940TIP3   OH222267   5.278   5.650   4.178  0.1496  0.1214  0.1720
+ 6940TIP3    H122268   5.366   5.690   4.172 -0.6126  1.6013 -1.6556
+ 6940TIP3    H222269   5.231   5.708   4.238 -0.1256  0.3987 -0.3097
+ 6941TIP3   OH222270   0.945   3.487   3.295  0.8671 -0.1857 -0.2996
+ 6941TIP3    H122271   1.004   3.552   3.334 -1.1395  1.7434 -0.3458
+ 6941TIP3    H222272   0.942   3.510   3.202  0.4072 -0.5512 -0.3783
+ 6942TIP3   OH222273   1.406   4.083   4.290 -0.8342 -0.0433 -0.5012
+ 6942TIP3    H122274   1.448   4.104   4.374 -1.2856 -0.3151 -0.2034
+ 6942TIP3    H222275   1.478   4.055   4.234 -0.4501  0.6855 -0.3792
+ 6943TIP3   OH222276   5.660   5.369   3.652  0.1350  0.4753  0.3559
+ 6943TIP3    H122277   5.602   5.442   3.628  1.5684  1.8914  1.1001
+ 6943TIP3    H222278   5.617   5.330   3.728 -1.1798 -0.1208 -0.6756
+ 6944TIP3   OH222279   0.033   3.066   5.038  0.3104 -0.3875 -0.2685
+ 6944TIP3    H122280   0.041   3.067   4.942 -0.4439 -0.4799 -0.3400
+ 6944TIP3    H222281  -0.016   3.146   5.058 -1.4310 -1.4470 -0.1521
+ 6945TIP3   OH222282   6.510   3.516   4.094  0.2347  0.5502 -0.2114
+ 6945TIP3    H122283   6.528   3.424   4.113  0.2814  0.2078 -1.8538
+ 6945TIP3    H222284   6.473   3.551   4.176  0.8288 -0.7460  0.6282
+ 6946TIP3   OH222285   6.453   4.546   3.600  0.1613 -0.0705 -1.2279
+ 6946TIP3    H122286   6.400   4.588   3.532  1.4546  1.3154 -1.3995
+ 6946TIP3    H222287   6.508   4.484   3.553  0.6125  0.4374 -1.3688
+ 6947TIP3   OH222288   5.565   4.866   5.344 -0.3399  0.4793 -0.7504
+ 6947TIP3    H122289   5.628   4.938   5.354 -2.1898  1.8042  2.5403
+ 6947TIP3    H222290   5.542   4.866   5.251  2.2138  1.9411 -1.4242
+ 6948TIP3   OH222291   2.663   4.302   6.397 -0.0497 -0.2378 -0.3110
+ 6948TIP3    H122292   2.749   4.265   6.378  0.1529 -1.0122  1.9926
+ 6948TIP3    H222293   2.605   4.227   6.408 -0.1136  0.1449  2.2016
+ 6949TIP3   OH222294   6.913   4.073   4.428  0.0539  0.1227 -0.6005
+ 6949TIP3    H122295   6.854   4.056   4.501  0.2512  0.1959 -0.4216
+ 6949TIP3    H222296   6.870   4.034   4.352  0.0802 -0.3959 -0.3534
+ 6950TIP3   OH222297   5.724   6.086   5.104  0.3515  0.0876  0.2809
+ 6950TIP3    H122298   5.778   6.164   5.116  1.8538 -1.0239  1.0411
+ 6950TIP3    H222299   5.778   6.028   5.049 -0.3305 -0.7951  0.5206
+ 6951TIP3   OH222300   3.753   2.510   5.398 -0.1615  0.6048 -0.1101
+ 6951TIP3    H122301   3.785   2.600   5.395 -0.2394  0.6579  0.5997
+ 6951TIP3    H222302   3.801   2.465   5.328  2.9394  0.2124  2.1709
+ 6952TIP3   OH222303   3.151   6.047   6.605 -0.2861  0.0311  0.0724
+ 6952TIP3    H122304   3.070   6.078   6.646 -0.4713  0.6627 -0.7412
+ 6952TIP3    H222305   3.122   6.015   6.519  0.2072 -0.5491  0.1197
+ 6953TIP3   OH222306   4.098   5.085   5.310 -0.2883 -0.5426  0.4585
+ 6953TIP3    H122307   4.066   5.154   5.367  0.5946  0.7897 -0.6344
+ 6953TIP3    H222308   4.157   5.033   5.366 -1.7321 -1.0370  1.5508
+ 6954TIP3   OH222309   2.649   5.335   3.583 -0.4212  0.2967 -0.5633
+ 6954TIP3    H122310   2.677   5.394   3.653  2.5472 -0.6838 -0.8670
+ 6954TIP3    H222311   2.599   5.267   3.627 -1.9053  1.7482  0.0729
+ 6955TIP3   OH222312   1.944   3.582   1.885  0.6976 -0.1646  0.4637
+ 6955TIP3    H122313   2.022   3.636   1.897 -0.4890  2.1336 -1.6757
+ 6955TIP3    H222314   1.892   3.630   1.821 -1.7427 -2.4631  0.6614
+ 6956TIP3   OH222315   2.300   6.353   4.985 -0.0129 -0.2886  0.1008
+ 6956TIP3    H122316   2.268   6.442   5.001  0.3093 -0.6222  2.8397
+ 6956TIP3    H222317   2.357   6.335   5.059  2.6579 -1.5327 -2.2004
+ 6957TIP3   OH222318   6.344   5.339   5.101 -0.1008 -0.4600 -0.3453
+ 6957TIP3    H122319   6.353   5.277   5.173  3.2691  1.3388  0.8654
+ 6957TIP3    H222320   6.400   5.305   5.032 -0.9934 -0.5868 -1.0210
+ 6958TIP3   OH222321   1.380   3.649   3.868  0.2480  0.0355 -0.6380
+ 6958TIP3    H122322   1.443   3.717   3.844  1.7034 -1.1121 -0.1436
+ 6958TIP3    H222323   1.357   3.669   3.959  1.3191 -0.6251 -0.2216
+ 6959TIP3   OH222324   0.047   3.633   4.281  0.9538  0.2699 -0.5684
+ 6959TIP3    H122325   0.079   3.586   4.204  1.2172 -1.0417  0.3329
+ 6959TIP3    H222326   0.038   3.566   4.349  0.3637  1.3453  0.4413
+ 6960TIP3   OH222327   3.784   5.485   4.890 -0.0776 -1.0698 -0.0952
+ 6960TIP3    H122328   3.739   5.527   4.817  1.0600 -0.4528 -0.4599
+ 6960TIP3    H222329   3.790   5.554   4.957  2.6690 -0.2729 -1.0648
+ 6961TIP3   OH222330   2.516   5.159   4.468 -0.3598  0.4769  0.2755
+ 6961TIP3    H122331   2.528   5.150   4.563  2.9844  0.3473 -0.0839
+ 6961TIP3    H222332   2.535   5.251   4.450  0.7900  0.1088 -0.4628
+ 6962TIP3   OH222333   3.535   3.599   0.190 -0.2901 -0.2139 -0.2507
+ 6962TIP3    H122334   3.473   3.644   0.133 -0.9485 -0.6342  0.1314
+ 6962TIP3    H222335   3.582   3.669   0.235 -1.2679  0.0852  0.2927
+ 6963TIP3   OH222336   3.783   4.461   4.549  0.6676  0.1137  0.3496
+ 6963TIP3    H122337   3.742   4.410   4.479 -0.0520 -0.3467  1.0996
+ 6963TIP3    H222338   3.876   4.459   4.529  0.4042  0.5133 -0.9446
+ 6964TIP3   OH222339   1.946   4.598   4.904 -0.3424  0.2755 -0.0174
+ 6964TIP3    H122340   1.957   4.662   4.974  1.8494 -1.5376  1.3897
+ 6964TIP3    H222341   1.926   4.516   4.950  2.3477 -1.2145 -1.3644
+ 6965TIP3   OH222342   1.545   1.728   3.859  0.6206 -0.6243 -0.2083
+ 6965TIP3    H122343   1.640   1.734   3.845  0.5613  0.3993 -0.1966
+ 6965TIP3    H222344   1.533   1.750   3.951  0.2616  0.4175 -0.4987
+ 6966TIP3   OH222345   3.510   3.996   4.882  0.6020 -0.5769  0.4233
+ 6966TIP3    H122346   3.583   3.959   4.931  0.0015 -0.1084  1.7030
+ 6966TIP3    H222347   3.434   3.946   4.911  0.2695 -0.4413 -0.2015
+ 6967TIP3   OH222348   2.554   3.528   5.583 -0.0672  0.3935 -0.0864
+ 6967TIP3    H122349   2.480   3.505   5.527  0.2228  1.5852 -0.9639
+ 6967TIP3    H222350   2.589   3.443   5.612 -0.0488 -0.2530 -1.9328
+ 6968TIP3   OH222351   3.316   2.445   6.367  0.4309  0.2389  0.0070
+ 6968TIP3    H122352   3.292   2.535   6.344  0.3361  0.4808  1.0167
+ 6968TIP3    H222353   3.412   2.446   6.370  0.5081 -0.1665 -1.8140
+ 6969TIP3   OH222354   1.849   5.850   3.462 -0.1628  0.2518 -0.3045
+ 6969TIP3    H122355   1.856   5.938   3.498 -0.2945  0.1052  0.0926
+ 6969TIP3    H222356   1.841   5.862   3.368 -0.9891  0.6987 -0.1739
+ 6970TIP3   OH222357   2.500   3.951   4.689  0.3152  0.6884  0.2279
+ 6970TIP3    H122358   2.442   3.921   4.619  0.6751  0.8948 -0.1662
+ 6970TIP3    H222359   2.491   4.046   4.689  2.0422  0.8840 -1.0976
+ 6971TIP3   OH222360   1.718   3.480   4.903  0.1028  0.1699  0.2247
+ 6971TIP3    H122361   1.666   3.513   4.829  1.9793 -0.3945 -1.3809
+ 6971TIP3    H222362   1.715   3.550   4.968 -1.8914  0.5271 -0.2170
+ 6972TIP3   OH222363   3.341   5.172   3.840  0.1969  0.0935  0.2016
+ 6972TIP3    H122364   3.298   5.113   3.903  1.7096 -0.7652  0.4591
+ 6972TIP3    H222365   3.273   5.234   3.815 -0.2023  1.0107  3.3576
+ 6973TIP3   OH222366   0.858   4.848   4.227  0.2718  0.4639 -0.1274
+ 6973TIP3    H122367   0.913   4.901   4.285  0.8318 -1.2260  0.9433
+ 6973TIP3    H222368   0.784   4.821   4.282  1.4691 -2.2306  0.2370
+ 6974TIP3   OH222369   4.520   5.087   4.884  0.0906 -0.1593 -0.1105
+ 6974TIP3    H122370   4.564   5.105   4.967 -0.3615 -0.3384  0.1674
+ 6974TIP3    H222371   4.591   5.084   4.820  0.3844  0.5677  0.1701
+ 6975TIP3   OH222372   3.303   2.437   5.324 -0.2306  0.1460 -0.3353
+ 6975TIP3    H122373   3.309   2.351   5.284 -2.6204 -1.1841  1.9321
+ 6975TIP3    H222374   3.367   2.435   5.396 -0.4459  0.1617 -0.1410
+ 6976TIP3   OH222375   0.345   3.577   4.297  0.4964 -0.1311 -0.2192
+ 6976TIP3    H122376   0.291   3.547   4.224  0.9631  1.1433 -1.0825
+ 6976TIP3    H222377   0.293   3.556   4.375 -0.8750  0.3123 -1.0013
+ 6977TIP3   OH222378   2.574   5.413   5.715  0.1338  0.8567  0.3729
+ 6977TIP3    H122379   2.500   5.473   5.722 -1.1700 -0.6208 -0.6306
+ 6977TIP3    H222380   2.542   5.330   5.749  1.4779  0.3265  0.3816
+ 6978TIP3   OH222381   0.335   6.436   4.072 -0.3579 -0.1824  0.6666
+ 6978TIP3    H122382   0.402   6.433   4.004  0.8212  0.6220  1.7781
+ 6978TIP3    H222383   0.268   6.375   4.042 -0.1332  0.6026 -1.5081
+ 6979TIP3   OH222384   3.487   4.591   0.725 -0.2211  0.0458 -0.3111
+ 6979TIP3    H122385   3.527   4.573   0.810 -2.6180  0.9559  1.0847
+ 6979TIP3    H222386   3.505   4.513   0.672  0.8857 -0.7373  1.1821
+ 6980TIP3   OH222387   0.321   4.400   4.048  0.3293  0.0391 -0.6038
+ 6980TIP3    H122388   0.397   4.450   4.018  0.7440 -0.0163  0.3615
+ 6980TIP3    H222389   0.336   4.312   4.013  0.7956 -0.0153 -0.2767
+ 6981TIP3   OH222390   2.869   5.870   4.253  0.1695  0.1022 -0.5254
+ 6981TIP3    H122391   2.800   5.865   4.187  1.1354 -0.8278 -1.4960
+ 6981TIP3    H222392   2.900   5.780   4.262  0.3322  0.2875  0.9090
+ 6982TIP3   OH222393   3.414   5.263   6.516  0.8975  0.5463  0.2159
+ 6982TIP3    H122394   3.415   5.278   6.421  0.5832 -0.2478  0.0888
+ 6982TIP3    H222395   3.369   5.340   6.552  2.0816  1.4414 -0.1681
+ 6983TIP3   OH222396   3.221   4.249   3.827 -0.2425 -0.3707  0.3572
+ 6983TIP3    H122397   3.235   4.296   3.744 -1.5634 -0.5318  0.0260
+ 6983TIP3    H222398   3.225   4.317   3.894  0.6200 -0.2012  0.1341
+ 6984TIP3   OH222399   0.516   4.180   4.884  0.1005 -0.1243 -0.2308
+ 6984TIP3    H122400   0.442   4.163   4.826 -0.0531  1.3583 -0.4859
+ 6984TIP3    H222401   0.479   4.172   4.972  0.0022 -0.9265 -0.3387
+ 6985TIP3   OH222402   1.981   6.361   5.743 -0.5780 -0.0682 -0.2509
+ 6985TIP3    H122403   1.936   6.291   5.789 -0.8072  1.0634  1.2876
+ 6985TIP3    H222404   1.935   6.368   5.659 -0.9545 -1.3131 -0.1568
+ 6986TIP3   OH222405   1.907   4.865   2.309 -0.0463 -0.7015  0.0745
+ 6986TIP3    H122406   1.842   4.814   2.261 -0.9599  0.1617  0.3555
+ 6986TIP3    H222407   1.951   4.918   2.241  0.1730 -1.0814 -0.0807
+ 6987TIP3   OH222408   1.441   6.262   5.752  0.3557 -0.1031  0.6161
+ 6987TIP3    H122409   1.350   6.249   5.781  0.6170 -1.8206  0.7272
+ 6987TIP3    H222410   1.491   6.266   5.834  0.2430  2.1273  0.6013
+ 6988TIP3   OH222411   3.255   4.178   3.383  0.1001  0.2219 -0.3524
+ 6988TIP3    H122412   3.283   4.248   3.442 -0.6296  2.8189 -3.0083
+ 6988TIP3    H222413   3.160   4.189   3.377  0.1700 -0.0462 -1.9781
+ 6989TIP3   OH222414   3.353   4.786   4.558 -0.0768 -0.1492 -0.0822
+ 6989TIP3    H122415   3.441   4.757   4.535  0.1903  0.2495  0.4241
+ 6989TIP3    H222416   3.367   4.860   4.617 -0.7476  0.3799 -0.5748
+ 6990TIP3   OH222417   1.417   5.110   5.386  0.1268 -0.0667  0.2329
+ 6990TIP3    H122418   1.365   5.190   5.397 -0.1361 -0.3603  1.1909
+ 6990TIP3    H222419   1.371   5.061   5.317 -0.1978  0.2109  0.2501
+ 6991TIP3   OH222420   1.639   3.010   4.775 -0.1112  0.0697  0.0937
+ 6991TIP3    H122421   1.690   3.044   4.701 -1.2795 -0.3669 -0.9433
+ 6991TIP3    H222422   1.678   2.925   4.794 -0.6002 -0.3915 -0.8864
+ 6992TIP3   OH222423   1.571   4.635   3.907 -0.0304  0.4140 -0.0463
+ 6992TIP3    H122424   1.502   4.580   3.870 -0.2391 -0.7173  1.9494
+ 6992TIP3    H222425   1.652   4.600   3.869 -0.2308 -0.7885  0.6131
+ 6993TIP3   OH222426   4.269   5.745   3.297 -0.0048 -0.2056  0.0197
+ 6993TIP3    H122427   4.322   5.751   3.376  0.3574  2.8601 -0.4225
+ 6993TIP3    H222428   4.323   5.695   3.236  0.3987 -1.1502  1.1358
+ 6994TIP3   OH222429   0.489   3.690   4.763 -0.0505  0.6165 -0.0234
+ 6994TIP3    H122430   0.428   3.760   4.781 -0.4503 -0.1847  1.8048
+ 6994TIP3    H222431   0.504   3.695   4.668 -2.3332  1.3030 -0.3730
+ 6995TIP3   OH222432   2.302   5.167   3.817 -0.6542  1.0144 -0.0754
+ 6995TIP3    H122433   2.222   5.142   3.771 -1.5419 -3.0266  3.3361
+ 6995TIP3    H222434   2.276   5.244   3.869 -1.4406  1.5776 -1.2738
+ 6996TIP3   OH222435   3.271   0.822   6.344  0.4227 -0.1346 -0.2770
+ 6996TIP3    H122436   3.252   0.743   6.396  1.1551 -0.2740 -0.2164
+ 6996TIP3    H222437   3.185   0.860   6.326  0.1403 -0.1982  0.8768
+ 6997TIP3   OH222438   3.690   4.950   4.267  0.0815  0.7066 -0.5765
+ 6997TIP3    H122439   3.702   4.958   4.361  1.3055  0.4363 -0.7013
+ 6997TIP3    H222440   3.676   4.856   4.252 -2.6580  1.0463 -0.3980
+ 6998TIP3   OH222441   2.627   5.438   3.846 -0.3092  0.1717  0.0671
+ 6998TIP3    H122442   2.546   5.483   3.823 -0.4561 -0.6352 -0.9965
+ 6998TIP3    H222443   2.601   5.377   3.915 -0.8726 -1.0157 -1.1811
+ 6999TIP3   OH222444   2.046   4.929   5.222  0.1503  0.4146  0.0196
+ 6999TIP3    H122445   2.003   5.006   5.184 -0.3907 -0.4417 -1.1712
+ 6999TIP3    H222446   2.128   4.921   5.172 -0.5376 -0.6845 -0.9652
+ 7000TIP3   OH222447   4.535   0.948   3.170 -0.1720 -0.0682 -0.4060
+ 7000TIP3    H122448   4.454   0.918   3.129 -0.5384  0.5071 -0.1174
+ 7000TIP3    H222449   4.570   0.871   3.215 -1.5550  0.1190  1.0507
+ 7001TIP3   OH222450   3.198   4.454   4.028  0.4473 -0.4946  0.2784
+ 7001TIP3    H122451   3.142   4.491   4.097 -0.9389  0.5987 -1.3934
+ 7001TIP3    H222452   3.241   4.530   3.989  1.1200 -1.1023 -0.1687
+ 7002TIP3   OH222453   2.737   5.775   6.442  0.4348  0.2563 -0.8546
+ 7002TIP3    H122454   2.738   5.680   6.453  0.0624  0.3690  0.1633
+ 7002TIP3    H222455   2.764   5.789   6.351 -1.4841 -0.9154 -1.6278
+ 7003TIP3   OH222456   3.007   2.977   0.310 -0.5913  0.6735 -0.2968
+ 7003TIP3    H122457   3.092   2.965   0.266 -0.1600  2.0973  0.1078
+ 7003TIP3    H222458   3.017   2.931   0.394 -0.0825  1.1307 -0.0988
+ 7004TIP3   OH222459   3.285   4.191   1.401  0.4043  0.0358 -0.4359
+ 7004TIP3    H122460   3.273   4.284   1.420 -0.9070  0.1888 -1.9388
+ 7004TIP3    H222461   3.197   4.157   1.387  0.7762 -1.6837  1.1355
+ 7005TIP3   OH222462   3.837   4.449   0.062 -0.3078 -0.0699 -0.5778
+ 7005TIP3    H122463   3.866   4.439  -0.029  2.1466 -0.7703  0.2395
+ 7005TIP3    H222464   3.842   4.360   0.098 -0.5017  0.3416  0.4709
+ 7006TIP3   OH222465   0.935   3.791   4.852 -0.2993  0.4356 -0.1265
+ 7006TIP3    H122466   0.890   3.717   4.892  1.2977 -0.3479  0.2667
+ 7006TIP3    H222467   0.980   3.834   4.925  1.3079 -0.0429 -0.8127
+ 7007TIP3   OH222468   1.326   4.762   3.574  0.0096 -0.1138 -0.8710
+ 7007TIP3    H122469   1.255   4.795   3.518  0.2220  1.2058 -0.3641
+ 7007TIP3    H222470   1.403   4.762   3.518  0.0043  0.2305 -0.8787
+ 7008TIP3   OH222471   1.227   5.327   5.352 -0.4251 -0.0366 -0.2022
+ 7008TIP3    H122472   1.179   5.313   5.271 -1.0518 -0.6926  0.2793
+ 7008TIP3    H222473   1.284   5.401   5.333 -0.0229 -0.6608 -1.4723
+ 7009TIP3   OH222474   3.570   1.841   6.343  0.3223 -0.6089  0.3614
+ 7009TIP3    H122475   3.645   1.826   6.286  0.9913 -1.4803  1.4324
+ 7009TIP3    H222476   3.501   1.786   6.307  0.3538 -0.1852 -0.3397
+ 7010TIP3   OH222477   1.375   3.645   4.403  0.0319 -0.1893 -0.1073
+ 7010TIP3    H122478   1.336   3.704   4.468 -0.7248 -0.7306 -0.0680
+ 7010TIP3    H222479   1.330   3.562   4.416  0.5741 -0.5737 -0.6688
+ 7011TIP3   OH222480   0.624   4.976   6.710  1.0911  0.1649  0.4924
+ 7011TIP3    H122481   0.653   4.932   6.790  0.1049 -2.1158 -0.3388
+ 7011TIP3    H222482   0.540   5.015   6.732  0.1165 -1.7029  0.2224
+ 7012TIP3   OH222483   5.942   5.124   4.200 -0.0528 -0.1528  0.0755
+ 7012TIP3    H122484   5.986   5.045   4.169  0.3645 -0.5539  1.6334
+ 7012TIP3    H222485   5.998   5.195   4.170  0.3971 -0.5348 -0.0000
+ 7013TIP3   OH222486   4.916   1.771   6.408 -0.4633 -0.0704 -0.3059
+ 7013TIP3    H122487   4.958   1.709   6.468  0.8188  1.1210  0.0762
+ 7013TIP3    H222488   4.977   1.778   6.335 -0.6872  0.5597 -0.4397
+ 7014TIP3   OH222489   4.713   2.906   5.149  0.1546  0.0197  0.1282
+ 7014TIP3    H122490   4.757   2.851   5.214  0.0424 -1.4586 -1.0165
+ 7014TIP3    H222491   4.770   2.982   5.139  1.0546 -0.5786  0.6674
+ 7015TIP3   OH222492   6.425   4.940   5.127  0.6642  0.2520  0.6080
+ 7015TIP3    H122493   6.501   4.902   5.171  1.7723  0.9599 -0.6414
+ 7015TIP3    H222494   6.451   4.946   5.035 -0.8469  0.6576  0.1872
+ 7016TIP3   OH222495   4.243   2.157   0.542  0.2842 -0.4813 -0.6413
+ 7016TIP3    H122496   4.290   2.082   0.579 -0.7215 -1.1833 -0.7911
+ 7016TIP3    H222497   4.192   2.121   0.470  0.0339  0.4058 -0.9164
+ 7017TIP3   OH222498   5.117   6.487   4.129  0.1213  0.7199  0.3918
+ 7017TIP3    H122499   5.054   6.481   4.201 -2.5876  1.1987 -1.8336
+ 7017TIP3    H222500   5.081   6.430   4.061  3.1538 -0.5262 -0.2309
+ 7018TIP3   OH222501   3.197   3.876   5.951  0.3665  0.3499  0.0204
+ 7018TIP3    H122502   3.240   3.801   5.911  0.6724  0.0182  0.9615
+ 7018TIP3    H222503   3.253   3.951   5.930  0.9187  0.0614  0.4628
+ 7019TIP3   OH222504   6.863   5.024   4.487 -0.0616 -0.6144  0.0000
+ 7019TIP3    H122505   6.819   5.106   4.465  0.2897 -0.4705 -0.1664
+ 7019TIP3    H222506   6.934   5.017   4.423  0.3401 -0.6994  0.4543
+ 7020TIP3   OH222507   3.383   5.469   4.586  0.6223  0.8619  0.1826
+ 7020TIP3    H122508   3.415   5.403   4.524  0.4249 -0.5832  1.5623
+ 7020TIP3    H222509   3.462   5.506   4.624  0.7839 -1.7005  2.5532
+ 7021TIP3   OH222510   4.083   4.921   4.382 -0.6984 -0.3075  1.0247
+ 7021TIP3    H122511   4.170   4.895   4.412  1.2473  2.8665 -1.5850
+ 7021TIP3    H222512   4.052   4.846   4.332 -0.1035 -1.9901  3.0770
+ 7022TIP3   OH222513   1.178   5.529   4.180 -0.4420  0.3443  0.2037
+ 7022TIP3    H122514   1.170   5.535   4.085 -2.1328  2.4694  0.4408
+ 7022TIP3    H222515   1.189   5.620   4.208  1.4208 -0.3864  1.9455
+ 7023TIP3   OH222516   3.004   6.370   4.814 -0.2490  0.3291  0.2392
+ 7023TIP3    H122517   3.089   6.331   4.793 -1.0946 -0.6730 -1.4340
+ 7023TIP3    H222518   3.008   6.458   4.775 -0.0535  0.1984 -0.0385
+ 7024TIP3   OH222519   1.266   6.078   3.735  0.3179  0.2309 -0.1128
+ 7024TIP3    H122520   1.235   6.159   3.695 -0.4701  0.0984  0.2179
+ 7024TIP3    H222521   1.313   6.106   3.814 -0.5741  0.3332  0.3928
+ 7025TIP3   OH222522   3.418   4.190   5.424  0.0028 -0.1499  0.2496
+ 7025TIP3    H122523   3.470   4.255   5.378  0.3472 -0.5782  0.0257
+ 7025TIP3    H222524   3.467   4.172   5.505 -0.7134  0.7665  0.8967
+ 7026TIP3   OH222525   1.288   2.451   3.331  0.5148 -0.1184 -0.2255
+ 7026TIP3    H122526   1.314   2.391   3.261 -1.3799 -0.6315 -0.5149
+ 7026TIP3    H222527   1.259   2.393   3.402  0.1767  0.4515  0.0971
+ 7027TIP3   OH222528   3.161   3.428   0.143 -0.6988  0.4023 -0.3802
+ 7027TIP3    H122529   3.208   3.420   0.226 -1.6184  1.0945  0.2190
+ 7027TIP3    H222530   3.203   3.365   0.085  1.6902  1.7599 -0.1767
+ 7028TIP3   OH222531   1.053   6.735   4.224  0.5866 -0.2649 -0.1852
+ 7028TIP3    H122532   1.007   6.742   4.140 -0.3257 -0.9303  0.2608
+ 7028TIP3    H222533   1.146   6.739   4.200  0.3199  0.7909 -1.1139
+ 7029TIP3   OH222534   4.261   4.430   4.894  0.5719 -0.1370 -0.3886
+ 7029TIP3    H122535   4.350   4.432   4.858  1.3870 -1.4338  1.4837
+ 7029TIP3    H222536   4.259   4.353   4.951 -1.4244  0.4668  0.4200
+ 7030TIP3   OH222537   1.577   5.063   4.412  0.2428  0.1890 -0.4837
+ 7030TIP3    H122538   1.597   5.156   4.414  0.5242  0.1185  1.6129
+ 7030TIP3    H222539   1.525   5.048   4.491 -0.9795 -1.1740 -1.5169
+ 7031TIP3   OH222540   3.012   6.479   5.509  0.5700 -1.2645  0.3081
+ 7031TIP3    H122541   2.981   6.417   5.444  1.3206 -2.1896  0.8220
+ 7031TIP3    H222542   3.025   6.427   5.588  0.3300 -0.2849  1.0087
+ 7032TIP3   OH222543   2.507   0.715   2.878 -0.5319  0.0603 -0.1636
+ 7032TIP3    H122544   2.558   0.712   2.796 -0.3996 -0.0590 -0.0772
+ 7032TIP3    H222545   2.554   0.655   2.937  0.8390  2.0524  0.8261
+ 7033TIP3   OH222546   0.785   5.355   4.787 -0.0406  0.3513 -0.4687
+ 7033TIP3    H122547   0.831   5.438   4.776 -0.1061  0.2891 -1.2222
+ 7033TIP3    H222548   0.784   5.341   4.882  1.0872  0.5826 -0.4055
+ 7034TIP3   OH222549   2.628   5.131   5.305 -0.2801 -0.3663 -0.1828
+ 7034TIP3    H122550   2.551   5.172   5.344  1.8463 -0.6534  4.6293
+ 7034TIP3    H222551   2.677   5.205   5.268 -0.2849  0.4882  1.4810
+ 7035TIP3   OH222552   0.989   4.495   5.908 -0.2901 -0.1697 -0.0707
+ 7035TIP3    H122553   0.986   4.578   5.860  0.3386  0.3858  0.8270
+ 7035TIP3    H222554   0.900   4.460   5.899 -0.6101  0.6786 -0.3362
+ 7036TIP3   OH222555   4.831   2.819   6.312  0.5072  0.1203 -0.4115
+ 7036TIP3    H122556   4.750   2.860   6.341  0.5628 -0.1216  0.0801
+ 7036TIP3    H222557   4.894   2.890   6.306  0.1929  0.3499 -1.0346
+ 7037TIP3   OH222558   2.506   5.208   4.748  0.6276  0.7055  0.2905
+ 7037TIP3    H122559   2.420   5.250   4.749 -0.0573 -0.5796 -1.2686
+ 7037TIP3    H222560   2.533   5.204   4.840 -2.0285 -0.9442  1.0474
+ 7038TIP3   OH222561   1.692   6.440   4.013  0.3159 -0.1019  0.0712
+ 7038TIP3    H122562   1.709   6.395   3.930  0.6114 -0.3067  0.2424
+ 7038TIP3    H222563   1.710   6.532   3.993  1.7378 -0.3214  0.2677
+ 7039TIP3   OH222564   2.736   1.809   6.355 -0.0476 -0.0652  0.1083
+ 7039TIP3    H122565   2.666   1.786   6.416 -0.5735 -0.8752 -0.7851
+ 7039TIP3    H222566   2.691   1.855   6.284  0.6413  1.3885  0.6020
+ 7040TIP3   OH222567   2.449   0.240   5.720 -0.1202  0.4163 -0.3762
+ 7040TIP3    H122568   2.366   0.201   5.693  0.3810 -1.4343  0.6926
+ 7040TIP3    H222569   2.514   0.202   5.661  0.1810  0.6538 -0.1990
+ 7041TIP3   OH222570   3.408   4.815   0.595  0.0011 -0.2614 -0.9342
+ 7041TIP3    H122571   3.421   4.741   0.655 -0.7516  0.8505  0.6311
+ 7041TIP3    H222572   3.475   4.804   0.528  0.8422 -1.5421  0.1040
+ 7042TIP3   OH222573   0.767   5.173   5.723  0.2281  0.5507  0.4232
+ 7042TIP3    H122574   0.844   5.194   5.670 -0.0990 -0.2639 -0.3813
+ 7042TIP3    H222575   0.710   5.250   5.714  0.7038  0.9321  0.5993
+ 7043TIP3   OH222576   2.927   6.318   5.297  0.5991  0.4530  0.3284
+ 7043TIP3    H122577   2.841   6.330   5.257  0.3683 -0.9421  0.3754
+ 7043TIP3    H222578   2.970   6.252   5.244  0.6242 -0.7741  1.8194
+ 7044TIP3   OH222579   1.898   5.750   5.190 -0.2642 -0.0801 -0.0498
+ 7044TIP3    H122580   1.939   5.728   5.274  0.0289 -0.1698 -0.2148
+ 7044TIP3    H222581   1.844   5.674   5.169  2.3327 -1.5752 -1.6221
+ 7045TIP3   OH222582   2.894   5.699   4.975  0.0086 -0.3770  0.2476
+ 7045TIP3    H122583   2.922   5.661   5.059 -0.7232 -1.3175  0.0711
+ 7045TIP3    H222584   2.800   5.686   4.973 -0.2995  1.7210  0.2969
+ 7046TIP3   OH222585   2.335   4.465   0.886  0.4233 -0.8647  0.4550
+ 7046TIP3    H122586   2.382   4.457   0.970  1.7981 -2.3307 -0.4411
+ 7046TIP3    H222587   2.377   4.539   0.843  0.8308 -1.1563  0.3488
+ 7047TIP3   OH222588   1.480   4.884   3.932 -0.3070 -0.3422 -0.2337
+ 7047TIP3    H122589   1.535   4.944   3.981 -1.0989 -0.7017  1.1408
+ 7047TIP3    H222590   1.528   4.801   3.933  0.0518 -0.1404 -0.7618
+ 7048TIP3   OH222591   1.464   3.157   4.913  0.0489  0.1944 -0.4136
+ 7048TIP3    H122592   1.538   3.113   4.871  1.2337  0.6819  1.0963
+ 7048TIP3    H222593   1.388   3.128   4.864  1.1295 -1.1763 -1.3292
+ 7049TIP3   OH222594   2.724   2.096   6.467  0.5432 -0.3312  0.0177
+ 7049TIP3    H122595   2.678   2.021   6.430 -2.9128  0.9610  1.4939
+ 7049TIP3    H222596   2.781   2.059   6.535 -1.7473 -1.5737  1.2882
+ 7050TIP3   OH222597   2.822   3.704   4.536 -0.7078  0.1361  0.0967
+ 7050TIP3    H122598   2.788   3.777   4.588  0.2364  0.9299 -0.3911
+ 7050TIP3    H222599   2.872   3.746   4.467  0.6987 -1.0066  0.4137
+ 7051TIP3   OH222600   3.293   0.214   4.410  0.4267  0.8158  0.3141
+ 7051TIP3    H122601   3.261   0.224   4.500  0.9052  2.7833  0.2942
+ 7051TIP3    H222602   3.388   0.204   4.420  0.3592 -0.1326  0.0807
+ 7052TIP3   OH222603   4.161   5.306   3.902 -0.1337  0.5507  0.2185
+ 7052TIP3    H122604   4.240   5.357   3.887  0.1955  0.5044  1.6757
+ 7052TIP3    H222605   4.189   5.215   3.889 -0.5443  0.6739 -1.6560
+ 7053TIP3   OH222606   2.940   4.440   4.837  0.0974 -0.4252 -0.1073
+ 7053TIP3    H122607   2.867   4.493   4.804  1.2766 -0.1713 -2.4374
+ 7053TIP3    H222608   3.012   4.503   4.848  0.9262 -1.1821 -1.0339
+ 7054TIP3   OH222609   0.962   4.540   4.603 -0.2725  0.0815 -0.0352
+ 7054TIP3    H122610   1.030   4.491   4.557 -0.4649 -2.2162  2.0065
+ 7054TIP3    H222611   1.007   4.617   4.638  0.9807 -0.7822  0.2629
+ 7055TIP3   OH222612   4.156   6.620   0.759  0.1844  0.1198 -0.0932
+ 7055TIP3    H122613   4.079   6.581   0.717  0.3991  0.8516 -1.1957
+ 7055TIP3    H222614   4.141   6.609   0.852  0.0266 -2.2105 -0.3688
+ 7056TIP3   OH222615   1.847   5.613   4.671 -0.0255 -0.2206 -0.4826
+ 7056TIP3    H122616   1.937   5.642   4.682 -0.4887  1.5540 -1.1225
+ 7056TIP3    H222617   1.812   5.670   4.602 -1.6807 -0.7454 -0.0961
+ 7057TIP3   OH222618   1.077   4.448   5.168  0.0214  0.0188  0.0080
+ 7057TIP3    H122619   1.074   4.544   5.170  0.4931  0.0328  0.1175
+ 7057TIP3    H222620   1.103   4.426   5.079 -0.6366 -0.0211 -0.1705
+ 7058TIP3   OH222621   0.147   4.992   4.252  0.0394 -0.1184 -0.2718
+ 7058TIP3    H122622   0.146   4.896   4.255  1.1745 -0.1101  3.2769
+ 7058TIP3    H222623   0.237   5.016   4.273 -0.7415  1.7394  1.1483
+ 7059TIP3   OH222624   3.620   5.539   4.217  0.3156 -0.5730  0.1112
+ 7059TIP3    H122625   3.570   5.458   4.204 -1.8986  0.5344  1.3196
+ 7059TIP3    H222626   3.596   5.594   4.143  0.5387 -0.4259  0.1490
+ 7060TIP3   OH222627   5.300   4.611   4.514 -0.1031  0.1148 -0.1235
+ 7060TIP3    H122628   5.343   4.526   4.506 -0.6214 -0.1206 -0.4984
+ 7060TIP3    H222629   5.341   4.666   4.447  1.2769  0.6209  1.1170
+ 7061TIP3   OH222630   2.565   4.722   4.174  0.0842  0.0174 -0.2305
+ 7061TIP3    H122631   2.628   4.769   4.119  0.6398 -1.4577 -0.8656
+ 7061TIP3    H222632   2.611   4.642   4.200 -1.3889 -0.8837 -0.3676
+ 7062TIP3   OH222633   0.903   5.153   3.436  0.1187  0.2285  0.2755
+ 7062TIP3    H122634   0.876   5.063   3.422  0.4135  0.1188  0.4264
+ 7062TIP3    H222635   0.837   5.189   3.495 -0.3576  0.2992 -0.2875
+ 7063TIP3   OH222636   6.203   5.603   3.497  0.0377 -0.5835  0.2178
+ 7063TIP3    H122637   6.153   5.584   3.577 -1.2345  0.6687 -0.2431
+ 7063TIP3    H222638   6.225   5.696   3.504  1.0142 -0.7730 -0.2985
+ 7064TIP3   OH222639   1.612   5.950   4.841 -0.0713 -0.8459  0.1926
+ 7064TIP3    H122640   1.637   6.036   4.875 -0.5390 -0.0064 -1.5337
+ 7064TIP3    H222641   1.569   5.907   4.915  0.0768  0.4462  1.0449
+ 7065TIP3   OH222642   2.045   6.618   5.246  0.8815 -0.3524  0.1924
+ 7065TIP3    H122643   2.018   6.527   5.250  0.8480 -0.2575  3.6472
+ 7065TIP3    H222644   2.127   6.621   5.295  0.3012  1.6390  1.0953
+ 7066TIP3   OH222645   3.836   0.973   5.636  0.2255  0.1473 -0.0934
+ 7066TIP3    H122646   3.762   0.984   5.576  0.6743 -0.6415 -0.7949
+ 7066TIP3    H222647   3.862   1.063   5.659 -1.0160  0.4250  0.2518
+ 7067TIP3   OH222648   2.358   0.779   3.282  0.3984 -0.5550 -0.3414
+ 7067TIP3    H122649   2.442   0.744   3.254  1.0852  1.8644 -1.4625
+ 7067TIP3    H222650   2.372   0.805   3.373  0.6273 -0.9233 -0.2724
+ 7068TIP3   OH222651   0.667   4.772   4.426 -0.0138  0.2659  0.2854
+ 7068TIP3    H122652   0.714   4.798   4.505  0.0441  0.3871  0.2109
+ 7068TIP3    H222653   0.671   4.677   4.425  0.4243  0.2880  0.1557
+ 7069TIP3   OH222654   1.015   3.838   4.589 -0.4123 -0.6429 -0.3864
+ 7069TIP3    H122655   0.963   3.833   4.669  0.7639  0.1192  0.4476
+ 7069TIP3    H222656   1.003   3.929   4.560  0.9344 -0.2888  0.1507
+ 7070TIP3   OH222657   1.530   4.508   6.749 -0.8778  0.6418  0.1087
+ 7070TIP3    H122658   1.485   4.471   6.672 -2.2880  1.9052  0.2978
+ 7070TIP3    H222659   1.459   4.546   6.801  0.1805  0.5772  1.5923
+ 7071TIP3   OH222660   1.139   4.002   4.307  0.2487 -0.0228  0.5586
+ 7071TIP3    H122661   1.108   4.063   4.374  0.7653 -1.1933  1.8964
+ 7071TIP3    H222662   1.232   4.023   4.296 -0.0743  0.8594 -0.5672
+ 7072TIP3   OH222663   2.247   4.883   4.821  0.1606  0.2223  0.0575
+ 7072TIP3    H122664   2.157   4.882   4.788 -0.5002  1.8873  1.6974
+ 7072TIP3    H222665   2.250   4.960   4.879  2.5353 -0.0257  0.3006
+ 7073TIP3   OH222666   3.446   2.654   4.799 -0.3392 -0.1903  0.7253
+ 7073TIP3    H122667   3.363   2.625   4.836  0.0641 -1.2713  0.7965
+ 7073TIP3    H222668   3.426   2.669   4.706 -0.4720 -1.0429  0.6108
+ 7074TIP3   OH222669   4.452   5.127   1.162 -0.3118 -0.2696  0.7285
+ 7074TIP3    H122670   4.439   5.132   1.257  1.7704 -0.4408  1.0564
+ 7074TIP3    H222671   4.453   5.218   1.133 -0.7596 -0.2095  0.8963
+ 7075TIP3   OH222672   3.273   5.587   1.660 -0.3574 -0.3053  0.2177
+ 7075TIP3    H122673   3.252   5.674   1.625  0.4061  1.3176  3.5221
+ 7075TIP3    H222674   3.338   5.551   1.600 -1.5742  0.8870 -1.8735
+ 7076TIP3   OH222675   3.505   2.041   0.038 -0.5159 -0.1401 -0.4691
+ 7076TIP3    H122676   3.456   2.115   0.002  0.2566  0.1765 -0.8959
+ 7076TIP3    H222677   3.479   2.037   0.130 -1.3464  0.0080 -0.6949
+ 7077TIP3   OH222678   2.893   4.722   5.132 -0.7326 -0.3736  0.0610
+ 7077TIP3    H122679   2.899   4.768   5.049 -2.5703 -0.8213 -0.3417
+ 7077TIP3    H222680   2.897   4.792   5.198  1.7864 -0.1012 -0.3159
+ 7078TIP3   OH222681   3.304   3.950   5.317  0.1347 -0.6133  0.7454
+ 7078TIP3    H122682   3.226   3.947   5.373 -0.4764  0.5626 -0.0156
+ 7078TIP3    H222683   3.343   4.035   5.335  1.1510 -1.1310  0.9907
+ 7079TIP3   OH222684   1.997   3.491   6.649 -0.4958  0.4374 -0.4127
+ 7079TIP3    H122685   1.921   3.548   6.645 -2.2361 -1.4874  2.9633
+ 7079TIP3    H222686   2.031   3.501   6.738  0.6144 -1.8704 -0.5203
+ 7080TIP3   OH222687   2.610   4.677   5.149 -0.4311  0.2312  0.2672
+ 7080TIP3    H122688   2.694   4.686   5.105  0.5333  0.7383  2.1315
+ 7080TIP3    H222689   2.557   4.749   5.115  0.0639  0.2318 -0.5182
+ 7081TIP3   OH222690   1.013   4.101   4.546  0.1994  0.2187  1.0205
+ 7081TIP3    H122691   1.032   4.195   4.542  1.2392  0.1108  3.0080
+ 7081TIP3    H222692   0.944   4.093   4.611 -0.8813 -0.2801 -0.1625
+ 7082TIP3   OH222693   3.405   3.408   5.484 -0.0303 -0.2038 -0.1307
+ 7082TIP3    H122694   3.347   3.482   5.499  1.5711  1.1611 -0.5789
+ 7082TIP3    H222695   3.376   3.372   5.400 -1.0545 -0.3230  0.2705
+ 7083TIP3   OH222696   3.315   6.563   4.642  0.6052 -0.3785 -0.6606
+ 7083TIP3    H122697   3.308   6.497   4.710 -1.4803 -0.7026 -1.1697
+ 7083TIP3    H222698   3.387   6.620   4.671  0.2165 -0.9176  1.4242
+ 7084TIP3   OH222699   0.674   4.983   5.112 -0.4915 -0.1638 -0.1118
+ 7084TIP3    H122700   0.666   4.895   5.075 -0.4829 -0.1804 -0.0754
+ 7084TIP3    H222701   0.715   4.970   5.197  1.1932  0.0447 -0.8703
+ 7085TIP3   OH222702   0.041   4.303   3.175  0.1178 -0.1532 -0.0889
+ 7085TIP3    H122703   0.093   4.364   3.123 -1.8267  0.1919 -1.7238
+ 7085TIP3    H222704   0.105   4.244   3.216  1.7148 -0.5376 -3.0183
+ 7086TIP3   OH222705   1.440   5.014   4.860  0.3609 -0.5624 -0.6863
+ 7086TIP3    H122706   1.484   4.961   4.793  0.4054 -1.6801  0.2192
+ 7086TIP3    H222707   1.393   4.951   4.914 -1.1455  0.4883 -0.7239
+ 7087TIP3   OH222708   2.027   5.686   5.466  0.4286 -0.2972  0.2399
+ 7087TIP3    H122709   1.994   5.666   5.554 -1.8339 -0.2671 -0.5494
+ 7087TIP3    H222710   2.095   5.751   5.481 -1.4498  1.3897  1.8517
+ 7088TIP3   OH222711   3.930   1.922   4.915 -0.0257 -0.0275  0.1677
+ 7088TIP3    H122712   3.839   1.930   4.944 -0.4055 -2.6867 -0.1830
+ 7088TIP3    H222713   3.980   1.971   4.980 -1.6376  1.0165  0.6654
+ 7089TIP3   OH222714   3.246   2.510   4.927  0.1832 -0.2314  0.3650
+ 7089TIP3    H122715   3.299   2.440   4.966 -1.4547  0.0217  3.1801
+ 7089TIP3    H222716   3.176   2.464   4.881  0.8032 -0.4915 -0.3244
+ 7090TIP3   OH222717   0.982   5.525   6.157 -0.2920  0.1635 -0.3950
+ 7090TIP3    H122718   0.940   5.494   6.237  1.0996 -2.0354 -0.4744
+ 7090TIP3    H222719   1.016   5.446   6.116  0.9103  1.5143 -2.0572
+ 7091TIP3   OH222720   5.020   5.216   4.602  0.3755 -0.7739 -0.0609
+ 7091TIP3    H122721   4.993   5.188   4.514 -1.0378 -1.2123  0.4858
+ 7091TIP3    H222722   5.048   5.306   4.591 -1.0387 -0.3957 -0.7452
+ 7092TIP3   OH222723   4.034   0.138   4.917  0.5774 -0.5974 -1.0105
+ 7092TIP3    H122724   4.119   0.120   4.875  0.2489  0.1375 -1.9992
+ 7092TIP3    H222725   3.976   0.159   4.845 -0.1065  0.2703 -0.2096
+ 7093TIP3   OH222726   3.354   5.515   3.881  0.3669 -0.3333 -0.0598
+ 7093TIP3    H122727   3.268   5.492   3.917 -0.8586  0.9339 -2.0338
+ 7093TIP3    H222728   3.417   5.478   3.943 -1.6073  0.7365  2.7363
+ 7094TIP3   OH222729   2.386   5.955   2.719  0.1506  1.0960 -0.1790
+ 7094TIP3    H122730   2.398   5.861   2.716 -1.7187  0.8872 -2.0542
+ 7094TIP3    H222731   2.446   5.985   2.788 -1.3127 -1.7605  2.4357
+ 7095TIP3   OH222732   2.662   4.182   4.943  0.8571  0.8753 -0.1538
+ 7095TIP3    H122733   2.619   4.255   4.988 -3.5750 -0.7434 -1.5063
+ 7095TIP3    H222734   2.619   4.178   4.858  1.4162 -2.9295 -0.3472
+ 7096TIP3   OH222735   3.868   1.801   6.205 -0.2729 -0.3324  0.2771
+ 7096TIP3    H122736   3.862   1.707   6.221 -0.6965 -0.2778  0.4520
+ 7096TIP3    H222737   3.955   1.813   6.167  0.1919 -0.6617  1.2216
+ 7097TIP3   OH222738   3.682   3.875   5.048 -0.2676 -0.5345  0.3987
+ 7097TIP3    H122739   3.626   3.798   5.042  0.0829 -0.8049  0.6008
+ 7097TIP3    H222740   3.767   3.841   5.077  0.3801 -0.3097 -1.1538
+ 7098TIP3   OH222741   2.881   5.551   4.520 -0.3572 -1.0294 -0.2124
+ 7098TIP3    H122742   2.796   5.511   4.541 -1.6962  1.2966 -1.0093
+ 7098TIP3    H222743   2.904   5.515   4.434 -1.2671 -0.5723 -0.6569
+ 7099TIP3   OH222744   0.297   3.698   6.449 -0.1503  0.3440 -0.1476
+ 7099TIP3    H122745   0.365   3.636   6.420 -0.8839 -0.3763 -0.3367
+ 7099TIP3    H222746   0.238   3.646   6.502 -0.8749  0.8460 -0.4580
+ 7100TIP3   OH222747   2.185   1.723   0.122 -0.2745 -0.1144  0.1119
+ 7100TIP3    H122748   2.274   1.737   0.155  0.0776  0.2058 -0.9563
+ 7100TIP3    H222749   2.190   1.641   0.072 -0.9884 -1.0215  1.4870
+ 7101TIP3   OH222750   6.860   1.843   2.512  0.4819 -0.8476 -0.5289
+ 7101TIP3    H122751   6.790   1.906   2.497  0.1109 -1.1050  0.0744
+ 7101TIP3    H222752   6.824   1.782   2.577  1.4933 -0.5917  0.2942
+ 7102TIP3   OH222753   3.072   4.381   4.554 -0.3028  0.0830 -0.6475
+ 7102TIP3    H122754   3.159   4.419   4.562  0.3574 -1.3515 -1.0055
+ 7102TIP3    H222755   3.013   4.457   4.555  0.9283  1.0482 -0.3007
+ 7103TIP3   OH222756   3.084   5.173   2.758 -0.0015  0.0127 -0.1350
+ 7103TIP3    H122757   3.082   5.143   2.849  0.2824  2.0313  0.5670
+ 7103TIP3    H222758   3.173   5.206   2.746 -0.3262  0.6311 -0.8567
+ 7104TIP3   OH222759   1.044   3.502   3.869  0.3301 -0.3055  0.4611
+ 7104TIP3    H122760   1.059   3.514   3.963  0.5442 -2.3203  0.7121
+ 7104TIP3    H222761   0.998   3.581   3.842 -0.9910 -0.3154  2.5530
+ 7105TIP3   OH222762   0.712   3.630   4.908 -0.4056  0.3493  0.2324
+ 7105TIP3    H122763   0.641   3.680   4.867  0.5669  1.1150 -0.5251
+ 7105TIP3    H222764   0.702   3.542   4.874  0.5551  1.0351 -1.8703
+ 7106TIP3   OH222765   1.687   6.629   1.139 -0.1249  0.5184  0.2434
+ 7106TIP3    H122766   1.644   6.668   1.215 -1.3057 -1.7731  0.7796
+ 7106TIP3    H222767   1.616   6.616   1.076 -0.0624 -2.1782  0.6786
+ 7107TIP3   OH222768   5.826   0.779   4.900  0.2124  0.1096  0.7483
+ 7107TIP3    H122769   5.744   0.729   4.901  0.0257  0.4066  0.5657
+ 7107TIP3    H222770   5.893   0.715   4.878  0.0411 -0.1535  0.9849
+ 7108TIP3   OH222771   2.839   3.893   5.575 -0.0880  0.1614 -0.1397
+ 7108TIP3    H122772   2.829   3.863   5.485 -4.5794 -0.6159  0.4949
+ 7108TIP3    H222773   2.825   3.814   5.628  0.7360  0.9511  1.2806
+ 7109TIP3   OH222774   2.100   5.539   5.018  0.4067 -0.0451 -0.3166
+ 7109TIP3    H122775   2.084   5.631   5.001 -1.0095 -0.3657 -0.7328
+ 7109TIP3    H222776   2.013   5.500   5.027  0.9987 -1.2491  0.3205
+ 7110TIP3   OH222777   2.151   0.161   3.555  0.2714 -0.4697  0.2868
+ 7110TIP3    H122778   2.209   0.111   3.498 -0.3343 -0.6134 -0.2159
+ 7110TIP3    H222779   2.066   0.156   3.511  0.1379  0.7169  0.4122
+ 7111TIP3   OH222780   1.935   4.710   3.581  0.0837  0.3109 -0.3167
+ 7111TIP3    H122781   1.958   4.632   3.531  0.6406  0.7012 -0.6730
+ 7111TIP3    H222782   1.915   4.678   3.669 -1.1201 -0.4085 -0.8405
+ 7112TIP3   OH222783   5.082   0.534   3.626 -0.4869 -0.5434 -0.6249
+ 7112TIP3    H122784   5.091   0.627   3.604 -2.7195  0.0442  0.8234
+ 7112TIP3    H222785   5.001   0.529   3.676  1.2392 -2.7589  2.0912
+ 7113TIP3   OH222786   2.078   1.098   0.151  0.0992 -0.2241  0.6625
+ 7113TIP3    H122787   2.100   1.184   0.185 -0.9066 -0.1999  1.2898
+ 7113TIP3    H222788   1.989   1.108   0.116  1.1643 -0.2285 -2.0784
+ 7114TIP3   OH222789   1.973   4.020   4.786 -0.0433 -0.1477 -0.1966
+ 7114TIP3    H122790   2.000   3.942   4.737  2.4600  1.0673 -0.8265
+ 7114TIP3    H222791   2.009   4.093   4.736 -0.0719  1.2881  1.8223
+ 7115TIP3   OH222792   1.373   5.241   6.607 -0.0106  0.5802 -0.4422
+ 7115TIP3    H122793   1.387   5.329   6.642  0.0665  1.0175 -1.5743
+ 7115TIP3    H222794   1.429   5.237   6.529 -0.5146 -0.2469 -0.7651
+ 7116TIP3   OH222795   4.500   3.026   4.928  0.1029  0.3978 -0.1912
+ 7116TIP3    H122796   4.469   3.031   5.019  0.9068 -0.2662  0.1224
+ 7116TIP3    H222797   4.545   2.942   4.923  4.3283  2.4962  0.1293
+ 7117TIP3   OH222798   0.730   5.245   5.323 -0.0476  0.7024 -0.2828
+ 7117TIP3    H122799   0.801   5.182   5.311  0.8571  1.8400 -0.9597
+ 7117TIP3    H222800   0.670   5.202   5.384  1.3312 -0.1907  0.4785
+ 7118TIP3   OH222801   3.094   6.323   2.687 -0.1224 -0.0177 -0.1666
+ 7118TIP3    H122802   3.055   6.410   2.678 -0.6346 -0.1937  0.3586
+ 7118TIP3    H222803   3.054   6.271   2.619 -0.6781 -0.1505  0.2589
+ 7119TIP3   OH222804   3.100   5.337   4.428  0.1263 -0.0544  0.3727
+ 7119TIP3    H122805   3.066   5.372   4.346 -1.2845 -2.0482  0.0507
+ 7119TIP3    H222806   3.159   5.405   4.462  1.2266  0.5165 -2.5904
+ 7120TIP3   OH222807   1.728   4.135   4.809  0.0541 -0.2221  0.5411
+ 7120TIP3    H122808   1.804   4.081   4.791  1.5742  1.6556  1.1653
+ 7120TIP3    H222809   1.751   4.221   4.775 -2.0003  0.2455  0.2770
+ 7121TIP3   OH222810   4.131   4.583   5.852 -0.0752 -0.4792 -0.1915
+ 7121TIP3    H122811   4.150   4.674   5.830  0.4304 -0.8716 -1.4013
+ 7121TIP3    H222812   4.140   4.579   5.947  1.2088  0.4418 -0.2694
+ 7122TIP3   OH222813   3.968   2.540   0.797  0.3277 -0.0818  0.2170
+ 7122TIP3    H122814   3.971   2.452   0.759 -0.7310  0.0682 -0.2212
+ 7122TIP3    H222815   4.041   2.587   0.755  0.1084 -0.3690 -0.4932
+ 7123TIP3   OH222816   1.879   6.836   4.670  0.7615 -0.4451  0.3690
+ 7123TIP3    H122817   1.824   6.885   4.609 -0.2276 -2.2415 -0.2297
+ 7123TIP3    H222818   1.949   6.897   4.694 -0.7197  1.4252  0.0788
+ 7124TIP3   OH222819   1.595   5.014   1.446  0.2633 -0.0074 -0.6573
+ 7124TIP3    H122820   1.601   4.919   1.436  2.3839 -0.0567  0.6819
+ 7124TIP3    H222821   1.638   5.049   1.367 -0.1250 -0.1494 -0.9355
+ 7125TIP3   OH222822   5.327   0.626   1.562 -0.0757  0.4141 -0.7535
+ 7125TIP3    H122823   5.316   0.706   1.612  3.3635  1.1599 -1.1090
+ 7125TIP3    H222824   5.265   0.564   1.601  0.2942  1.9333  2.3274
+ 7126TIP3   OH222825   3.456   4.490   4.997 -0.3086  0.1776 -0.0251
+ 7126TIP3    H122826   3.433   4.405   5.034 -1.1400 -0.1104 -1.1575
+ 7126TIP3    H222827   3.488   4.470   4.908  0.7369  0.9328  0.1618
+ 7127TIP3   OH222828   2.916   4.390   5.971 -0.2954  0.2052 -0.5335
+ 7127TIP3    H122829   2.952   4.331   5.905  0.6986  2.3254 -1.9535
+ 7127TIP3    H222830   2.992   4.431   6.011 -0.8739 -1.1740  2.1330
+ 7128TIP3   OH222831   5.567   4.326   0.168  0.1313  0.2611  0.3834
+ 7128TIP3    H122832   5.559   4.250   0.225 -2.1117  0.8611  0.8863
+ 7128TIP3    H222833   5.636   4.379   0.209 -0.0853 -0.2609  1.4409
+ 7129TIP3   OH222834   5.485   4.837   5.078  0.5911  0.2449  0.1463
+ 7129TIP3    H122835   5.437   4.898   5.022  2.1371  0.2095 -1.2438
+ 7129TIP3    H222836   5.547   4.794   5.019  0.3309 -1.8313  1.3383
+ 7130TIP3   OH222837   3.835   5.217   4.824 -0.5462 -0.2070  0.1096
+ 7130TIP3    H122838   3.915   5.225   4.772 -0.4015  0.0016  0.3635
+ 7130TIP3    H222839   3.820   5.305   4.858 -1.3866 -0.0393 -0.6844
+ 7131TIP3   OH222840   6.114   5.349   3.996  0.2662  0.2014  0.1483
+ 7131TIP3    H122841   6.029   5.393   3.984  0.6635  0.4759 -1.8145
+ 7131TIP3    H222842   6.178   5.419   3.985  0.8064 -0.3523 -0.2213
+ 7132TIP3   OH222843   4.360   5.908   4.175  0.3996 -0.3596  0.4986
+ 7132TIP3    H122844   4.285   5.916   4.234 -2.5228 -1.5772 -2.9140
+ 7132TIP3    H222845   4.370   5.996   4.138 -1.2871 -0.8789 -1.2563
+ 7133TIP3   OH222846   6.381   3.257   4.534 -0.0668 -1.1337  0.1356
+ 7133TIP3    H122847   6.424   3.173   4.520  0.6965 -0.5828 -0.8902
+ 7133TIP3    H222848   6.450   3.322   4.519 -0.3295 -0.3488  2.1430
+ 7134TIP3   OH222849   4.688   4.366   5.138 -0.3112  0.6422 -0.1414
+ 7134TIP3    H122850   4.753   4.355   5.207 -0.1303 -0.6848 -0.5195
+ 7134TIP3    H222851   4.720   4.440   5.087  1.3581 -0.5154 -0.8188
+ 7135TIP3   OH222852   0.013   4.969   6.062  0.3054  0.7093 -0.0208
+ 7135TIP3    H122853  -0.018   4.879   6.048 -2.5087  1.2163  2.2822
+ 7135TIP3    H222854   0.061   4.965   6.145  0.5578  1.2218 -0.1421
+ 7136TIP3   OH222855   4.013   4.646   5.228 -0.3771  0.7361 -0.3196
+ 7136TIP3    H122856   4.105   4.632   5.205 -0.1349 -1.1269  1.5810
+ 7136TIP3    H222857   3.971   4.669   5.145  1.5336  0.1852 -1.4799
+ 7137TIP3   OH222858   3.930   3.749   5.024 -0.7582 -0.4375  0.4477
+ 7137TIP3    H122859   3.949   3.736   4.931 -0.4536 -1.1367  0.6094
+ 7137TIP3    H222860   3.915   3.661   5.059  0.1179 -0.2748  1.2704
+ 7138TIP3   OH222861   6.193   3.870   6.861 -0.2866  0.7395  0.1236
+ 7138TIP3    H122862   6.217   3.778   6.854  1.8070  1.2229  0.4123
+ 7138TIP3    H222863   6.226   3.910   6.780  1.3787  1.7219  1.2510
+ 7139TIP3   OH222864   4.721   2.895   6.766  0.6256  0.1216 -0.0757
+ 7139TIP3    H122865   4.814   2.879   6.779  0.2011 -2.7265 -0.2521
+ 7139TIP3    H222866   4.697   2.838   6.692 -1.8132 -1.3048  1.7280
+ 7140TIP3   OH222867   2.231   6.264   4.659 -0.1746 -0.9583 -0.4378
+ 7140TIP3    H122868   2.216   6.304   4.574  0.8081  0.0276 -0.1528
+ 7140TIP3    H222869   2.267   6.334   4.713  0.3229 -1.8798  0.4553
+ 7141TIP3   OH222870   6.251   3.766   4.340  0.0175  0.3599  0.0307
+ 7141TIP3    H122871   6.323   3.826   4.354  1.6785 -1.3570 -0.9342
+ 7141TIP3    H222872   6.287   3.680   4.363 -2.1956 -0.3368  1.0598
+ 7142TIP3   OH222873   4.041   3.794   6.280 -0.0229 -0.0982  0.4617
+ 7142TIP3    H122874   4.066   3.881   6.309  0.6951  0.2554 -1.1486
+ 7142TIP3    H222875   3.996   3.809   6.196 -0.5965 -1.2042  0.5560
+ 7143TIP3   OH222876   5.649   3.856   3.915  0.6526 -0.0612  0.3396
+ 7143TIP3    H122877   5.581   3.843   3.982 -0.2756  0.5018 -0.4790
+ 7143TIP3    H222878   5.631   3.789   3.849  2.1228 -1.2112  1.0694
+ 7144TIP3   OH222879   3.484   6.277   3.822 -0.1738  0.1695  0.0936
+ 7144TIP3    H122880   3.422   6.215   3.783  0.6756 -0.4698 -0.2554
+ 7144TIP3    H222881   3.532   6.225   3.887  0.3559  0.5285 -0.0054
+ 7145TIP3   OH222882   4.530   5.722   4.276 -0.2045  0.2579  0.5807
+ 7145TIP3    H122883   4.467   5.656   4.306  0.7399 -0.2767  1.4110
+ 7145TIP3    H222884   4.475   5.795   4.245 -1.2458 -0.6506  0.2285
+ 7146TIP3   OH222885   4.669   5.426   4.856  0.3801 -0.4031  0.0715
+ 7146TIP3    H122886   4.641   5.384   4.775 -0.2312 -0.4556  0.3074
+ 7146TIP3    H222887   4.708   5.509   4.827 -0.6532 -0.0040 -0.2215
+ 7147TIP3   OH222888   4.416   4.522   6.907  0.0894  0.2921  0.6132
+ 7147TIP3    H122889   4.396   4.615   6.920 -3.3013 -0.1381 -1.2547
+ 7147TIP3    H222890   4.362   4.495   6.833  1.8853 -2.9283  0.3833
+ 7148TIP3   OH222891   4.841   6.281   3.557  0.1215 -0.6216 -0.1474
+ 7148TIP3    H122892   4.772   6.326   3.508 -1.5439 -2.1787  0.6843
+ 7148TIP3    H222893   4.882   6.223   3.493  0.9540  0.6034 -0.7430
+ 7149TIP3   OH222894   6.184   3.823   3.294  0.3941 -0.8553 -0.0690
+ 7149TIP3    H122895   6.241   3.849   3.366 -0.3857 -2.4143  1.1633
+ 7149TIP3    H222896   6.111   3.885   3.297  0.2743 -1.0293  0.6087
+ 7150TIP3   OH222897   5.326   2.476   6.486 -0.4950 -0.0006 -0.4646
+ 7150TIP3    H122898   5.251   2.430   6.523 -0.3825 -0.4334 -0.7835
+ 7150TIP3    H222899   5.287   2.544   6.431 -0.6583  0.2911  0.0070
+ 7151TIP3   OH222900   4.990   4.976   4.101 -0.6135 -0.1178  0.2543
+ 7151TIP3    H122901   4.895   4.984   4.098 -0.6639 -0.7072  0.2308
+ 7151TIP3    H222902   5.012   4.985   4.194 -0.5515  1.4644  0.1115
+ 7152TIP3   OH222903   3.704   5.042   6.354  0.2664  0.1878  0.3155
+ 7152TIP3    H122904   3.723   5.074   6.442 -0.2847 -0.4736  0.6718
+ 7152TIP3    H222905   3.785   5.059   6.305  0.5811  0.5360  0.9469
+ 7153TIP3   OH222906   4.787   4.622   4.579  0.3021 -0.6443 -0.0580
+ 7153TIP3    H122907   4.708   4.675   4.588  0.4285 -0.0144 -2.2807
+ 7153TIP3    H222908   4.836   4.664   4.508  0.9829 -3.0328 -1.0562
+ 7154TIP3   OH222909   4.933   4.228   5.601 -0.1924  0.0947  0.2474
+ 7154TIP3    H122910   4.861   4.170   5.624 -1.1642  1.5762  0.9979
+ 7154TIP3    H222911   4.982   4.238   5.683 -1.0838  1.7792  0.5975
+ 7155TIP3   OH222912   3.589   5.055   3.861  0.3868 -0.1767  0.1286
+ 7155TIP3    H122913   3.510   5.103   3.836  0.9088 -0.1486 -1.4799
+ 7155TIP3    H222914   3.622   5.102   3.938  0.6949  1.8421 -1.2153
+ 7156TIP3   OH222915   2.590   5.444   4.550 -0.1523 -0.1185  0.4021
+ 7156TIP3    H122916   2.527   5.514   4.567 -0.0327 -0.0443  0.5315
+ 7156TIP3    H222917   2.580   5.383   4.623  2.2154  1.5103  2.1494
+ 7157TIP3   OH222918   4.886   0.467   5.015 -0.0534  0.3671 -0.0936
+ 7157TIP3    H122919   4.868   0.497   5.104  0.0104  1.5283 -0.4627
+ 7157TIP3    H222920   4.856   0.539   4.959  0.7423  0.0314 -0.9660
+ 7158TIP3   OH222921   3.142   6.162   4.026 -0.0386 -0.2499  0.0938
+ 7158TIP3    H122922   3.075   6.166   4.094  0.8631  0.3815  0.9509
+ 7158TIP3    H222923   3.221   6.195   4.067  0.9715 -1.5692 -0.7188
+ 7159TIP3   OH222924   4.530   4.930   6.247  0.1709 -0.4646 -0.0570
+ 7159TIP3    H122925   4.611   4.973   6.218 -0.6891  0.3115 -1.3818
+ 7159TIP3    H222926   4.509   4.973   6.330  0.3336  0.3676 -0.4375
+ 7160TIP3   OH222927   4.320   5.044   3.438  0.3053 -0.4041 -0.2227
+ 7160TIP3    H122928   4.361   5.126   3.409 -0.1600 -0.2755 -0.5260
+ 7160TIP3    H222929   4.355   4.978   3.378 -0.7827 -0.1096 -1.1868
+ 7161TIP3   OH222930   4.115   5.644   6.473 -0.1833 -0.3915  0.1877
+ 7161TIP3    H122931   4.072   5.717   6.517  0.7194  0.4627 -0.3079
+ 7161TIP3    H222932   4.176   5.609   6.538  0.2394  0.0684  0.0499
+ 7162TIP3   OH222933   1.597   6.698   3.754  0.1319 -0.1839  0.1015
+ 7162TIP3    H122934   1.673   6.723   3.807 -0.4558 -2.8121  2.2622
+ 7162TIP3    H222935   1.526   6.754   3.786  1.2089  2.8387 -2.4518
+ 7163TIP3   OH222936   4.234   5.651   5.477  0.5237 -0.1475  0.0062
+ 7163TIP3    H122937   4.261   5.708   5.405  2.4396 -0.2731  0.5870
+ 7163TIP3    H222938   4.170   5.703   5.526  0.1229  0.4045 -1.0783
+ 7164TIP3   OH222939   3.915   4.739   4.969 -0.1541 -0.2085 -0.3055
+ 7164TIP3    H122940   3.834   4.722   4.922 -1.1178 -0.4613  1.4260
+ 7164TIP3    H222941   3.932   4.832   4.954 -0.4296 -0.2972 -1.1783
+ 7165TIP3   OH222942   5.304   4.112   5.671 -0.2582 -0.2283  0.2502
+ 7165TIP3    H122943   5.399   4.114   5.683 -0.3056  0.8645  0.4856
+ 7165TIP3    H222944   5.269   4.119   5.759 -0.5785  4.8505 -0.1154
+ 7166TIP3   OH222945   5.415   5.490   6.663 -0.2834 -0.2673 -0.7433
+ 7166TIP3    H122946   5.477   5.417   6.665 -0.1695 -0.1187  2.3142
+ 7166TIP3    H222947   5.469   5.567   6.648  0.2900 -0.1605  1.7278
+ 7167TIP3   OH222948   6.483   5.840   5.099 -0.1837  0.1994 -0.1497
+ 7167TIP3    H122949   6.568   5.799   5.112 -0.2803  0.4760  1.5776
+ 7167TIP3    H222950   6.422   5.767   5.092 -0.0304  0.0039  0.4624
+ 7168TIP3   OH222951   5.976   1.356   1.564 -0.1653  0.2393  0.0199
+ 7168TIP3    H122952   5.986   1.262   1.580 -1.3678  0.4333  1.9441
+ 7168TIP3    H222953   5.974   1.363   1.468 -0.7188 -1.7600 -0.1436
+ 7169TIP3   OH222954   2.588   1.119   3.953  0.0043  0.0395 -0.0268
+ 7169TIP3    H122955   2.566   1.042   4.006 -0.3114 -0.8224 -1.3894
+ 7169TIP3    H222956   2.659   1.089   3.896  0.8068  1.1637  0.3762
+ 7170TIP3   OH222957   5.227   5.523   2.035 -0.0292  0.1763 -0.1104
+ 7170TIP3    H122958   5.226   5.489   1.946 -0.5972  1.0242 -0.4329
+ 7170TIP3    H222959   5.279   5.460   2.085 -1.3428 -1.3171 -0.6183
+ 7171TIP3   OH222960   5.027   1.850   4.319 -0.0864  0.2215 -0.0704
+ 7171TIP3    H122961   5.099   1.878   4.262 -1.0328  1.0798 -0.8645
+ 7171TIP3    H222962   5.045   1.890   4.403  1.2501 -0.9340  0.2156
+ 7172TIP3   OH222963   4.360   5.589   4.473  0.0534 -0.1770  0.0365
+ 7172TIP3    H122964   4.275   5.573   4.513 -0.2453  2.7866  0.6799
+ 7172TIP3    H222965   4.422   5.541   4.529 -0.8968 -0.0744  1.2003
+ 7173TIP3   OH222966   3.040   0.058   5.326  0.2289  0.1957 -0.1068
+ 7173TIP3    H122967   3.085   0.034   5.407 -0.0496 -3.0808 -0.8287
+ 7173TIP3    H222968   3.103   0.039   5.257  0.1304  2.0802 -0.7329
+ 7174TIP3   OH222969   5.088   2.062   3.755 -0.2472 -0.0755 -0.2907
+ 7174TIP3    H122970   5.010   2.116   3.766  0.0247  0.2575  0.0103
+ 7174TIP3    H222971   5.158   2.124   3.736 -0.0254 -0.3582 -0.3997
+ 7175TIP3   OH222972   3.650   3.813   6.008 -0.4741 -0.3630 -0.1646
+ 7175TIP3    H122973   3.703   3.733   6.012  0.0163 -0.0180  0.3024
+ 7175TIP3    H222974   3.651   3.838   5.915  2.1703  0.9410  0.1582
+ 7176TIP3   OH222975   2.606   5.084  -0.017  0.7018 -0.3819  0.2633
+ 7176TIP3    H122976   2.655   5.002  -0.003  1.8422  0.3270  0.4478
+ 7176TIP3    H222977   2.534   5.079   0.046  0.5314 -1.4286  0.0008
+ 7177TIP3   OH222978   4.885   0.016   4.853  0.0628  0.5317 -0.3228
+ 7177TIP3    H122979   4.973   0.018   4.817 -0.1006  1.5098 -0.6873
+ 7177TIP3    H222980   4.898   0.011   4.948  0.5558  3.0657 -0.2124
+ 7178TIP3   OH222981   3.815   3.978   5.321 -0.2286 -0.1338  0.1254
+ 7178TIP3    H122982   3.740   3.928   5.288 -1.7763  2.0826  0.2234
+ 7178TIP3    H222983   3.831   3.942   5.408 -0.1849 -1.6521 -0.4853
+ 7179TIP3   OH222984   3.314   2.919   5.081 -0.3047 -0.0442 -0.0133
+ 7179TIP3    H122985   3.245   2.858   5.056 -1.0989  1.1846 -0.8286
+ 7179TIP3    H222986   3.273   2.976   5.146  0.5241 -0.5541  0.9681
+ 7180TIP3   OH222987   5.369   4.041   6.396 -0.2281  0.0616 -0.8832
+ 7180TIP3    H122988   5.308   3.992   6.340  0.3692 -2.0928  0.3009
+ 7180TIP3    H222989   5.454   3.999   6.381 -0.1780 -0.9995  2.0934
+ 7181TIP3   OH222990   6.384   6.394   5.093  0.0832  0.1684 -0.4808
+ 7181TIP3    H122991   6.384   6.304   5.125 -0.1824  0.1297 -0.5891
+ 7181TIP3    H222992   6.461   6.434   5.134 -0.5982  0.2950  0.7134
+ 7182TIP3   OH222993   2.903   5.142   4.369 -0.2370  0.4977  0.1748
+ 7182TIP3    H122994   2.856   5.132   4.452 -0.2684  1.5316  0.2813
+ 7182TIP3    H222995   2.953   5.223   4.379  0.3762  0.2151 -0.5252
+ 7183TIP3   OH222996   3.246   5.081   5.115 -0.0875 -0.0946 -0.4225
+ 7183TIP3    H122997   3.241   5.165   5.161  0.7961  0.5580 -1.4852
+ 7183TIP3    H222998   3.307   5.029   5.168  0.4177  0.4210 -0.4846
+ 7184TIP3   OH222999   3.120   4.137   6.637 -0.1184 -0.0130 -0.1504
+ 7184TIP3    H123000   3.122   4.184   6.553 -0.3943  0.1609 -0.0609
+ 7184TIP3    H223001   3.058   4.065   6.623  1.9962 -1.7197 -1.0016
+ 7185TIP3   OH223002   3.898   6.800   5.447 -0.2038 -0.1550 -0.2511
+ 7185TIP3    H123003   3.956   6.741   5.495 -0.8409  0.0849  0.8216
+ 7185TIP3    H223004   3.923   6.788   5.355  0.8586 -0.7886  0.1121
+ 7186TIP3   OH223005   2.565   4.434   0.566 -0.2974 -0.4774  0.3263
+ 7186TIP3    H123006   2.538   4.343   0.578 -2.7603 -0.0317 -1.3803
+ 7186TIP3    H223007   2.588   4.439   0.473  0.0310  0.5848  0.4677
+ 7187TIP3   OH223008   4.986   5.609   5.027 -0.6241  0.2020 -0.1393
+ 7187TIP3    H123009   5.034   5.681   4.986 -0.5187 -0.6640 -1.5708
+ 7187TIP3    H223010   4.908   5.649   5.064 -0.4993  1.0680 -0.8170
+ 7188TIP3   OH223011   3.694   4.903   5.895  0.3390 -0.1650 -0.0556
+ 7188TIP3    H123012   3.785   4.905   5.863  0.7961 -0.0039  1.2326
+ 7188TIP3    H223013   3.670   4.810   5.893  0.8108 -0.3035  0.3376
+ 7189TIP3   OH223014   6.022   6.741   4.490  0.1026 -0.7126  0.2258
+ 7189TIP3    H123015   5.958   6.812   4.496 -0.9468 -1.6242  0.0024
+ 7189TIP3    H223016   6.021   6.701   4.577 -0.8640 -1.7650 -0.2570
+ 7190TIP3   OH223017   2.840   5.476   6.374 -0.1550 -0.3907  0.2901
+ 7190TIP3    H123018   2.758   5.433   6.349 -0.6212 -0.2539  1.5212
+ 7190TIP3    H223019   2.907   5.409   6.361 -0.8448 -1.4274  1.9644
+ 7191TIP3   OH223020   6.021   3.907   4.404 -0.3155 -0.0173  0.0354
+ 7191TIP3    H123021   6.102   3.856   4.408  0.3177  0.7500 -2.3737
+ 7191TIP3    H223022   5.977   3.875   4.325 -1.1870  1.2940 -0.0055
+ 7192TIP3   OH223023   3.289   4.534   4.635  1.0848 -0.2850 -0.3859
+ 7192TIP3    H123024   3.359   4.536   4.700 -0.3018  1.5748  1.1131
+ 7192TIP3    H223025   3.302   4.612   4.582  0.9235 -0.6283 -0.9317
+ 7193TIP3   OH223026   2.905   3.990   5.149 -0.4889  0.3128  0.1338
+ 7193TIP3    H123027   2.908   4.030   5.063  0.4475  0.2225  0.1193
+ 7193TIP3    H223028   2.914   4.063   5.210 -1.0193  0.3635  0.1494
+ 7194TIP3   OH223029   3.934   0.808   4.969  0.6355 -0.5294 -0.1232
+ 7194TIP3    H123030   3.945   0.717   4.996  0.2886 -0.5291  0.0119
+ 7194TIP3    H223031   3.999   0.820   4.899  1.8884 -0.3887  1.0430
+ 7195TIP3   OH223032   3.023   4.083   6.074  0.5652 -0.2770  0.2977
+ 7195TIP3    H123033   3.068   4.000   6.060  1.2440  0.2282 -0.6163
+ 7195TIP3    H223034   3.094   4.148   6.075  0.0543  0.2658  1.1434
+ 7196TIP3   OH223035   3.042   4.533   4.270  0.1014 -0.2273 -0.3802
+ 7196TIP3    H123036   3.131   4.548   4.302 -0.3754 -1.8182  1.7245
+ 7196TIP3    H223037   2.986   4.550   4.345 -1.5596  2.3563 -2.0945
+ 7197TIP3   OH223038   3.389   4.943   5.332  0.0078  0.3353 -1.1307
+ 7197TIP3    H123039   3.425   4.858   5.356  1.5142  0.9898 -1.0310
+ 7197TIP3    H223040   3.317   4.957   5.393  0.4670 -0.3650 -0.4274
+ 7198TIP3   OH223041   5.514   5.542   6.023  0.4457  0.7292  0.4200
+ 7198TIP3    H123042   5.567   5.543   6.103  0.1371 -2.2945  0.6969
+ 7198TIP3    H223043   5.530   5.457   5.984 -1.8926  0.9239 -1.0560
+ 7199TIP3   OH223044   5.147   4.921   4.337 -0.1936 -0.2716  0.5761
+ 7199TIP3    H123045   5.146   4.916   4.433 -0.1923 -0.2391  0.5776
+ 7199TIP3    H223046   5.214   4.987   4.318 -0.5823  0.1187  0.5697
+ 7200TIP3   OH223047   5.594   5.287   4.437  0.2948  0.1512 -0.0073
+ 7200TIP3    H123048   5.645   5.334   4.504 -0.8386 -1.4858  2.0767
+ 7200TIP3    H223049   5.503   5.315   4.452  0.3261  1.8809 -2.6955
+ 7201TIP3   OH223050   4.254   6.267   4.824 -0.0962 -0.1448 -0.1409
+ 7201TIP3    H123051   4.240   6.298   4.734  0.7152 -0.2470 -0.3063
+ 7201TIP3    H223052   4.293   6.341   4.869  1.1581 -0.6642 -0.3462
+ 7202TIP3   OH223053   4.096   4.721   4.057  0.2385 -0.4414  0.2162
+ 7202TIP3    H123054   4.053   4.720   3.971  0.3005  0.9880  0.1479
+ 7202TIP3    H223055   4.025   4.715   4.120  0.1775 -1.3034  0.0624
+ 7203TIP3   OH223056   4.805   4.864   2.782  0.4737  0.5077  0.4781
+ 7203TIP3    H123057   4.809   4.809   2.860  1.4322 -1.5500 -0.9614
+ 7203TIP3    H223058   4.714   4.859   2.753  0.8607 -1.5569 -0.4646
+ 7204TIP3   OH223059   5.931   4.219   0.706 -0.6303 -0.1448  0.2148
+ 7204TIP3    H123060   5.979   4.301   0.700 -1.4876  0.3754  0.3438
+ 7204TIP3    H223061   5.844   4.240   0.673 -1.4289 -0.5244  2.0194
+ 7205TIP3   OH223062   5.815   5.224   2.952 -0.2250  0.2131  0.2210
+ 7205TIP3    H123063   5.736   5.184   2.990 -0.8250 -0.4329 -1.6786
+ 7205TIP3    H223064   5.783   5.295   2.897  0.6245  0.8830  0.5766
+ 7206TIP3   OH223065   3.676   5.962   4.335 -0.2054  0.6220 -0.0636
+ 7206TIP3    H123066   3.638   6.047   4.312 -0.6971  0.3666 -0.1881
+ 7206TIP3    H223067   3.736   5.942   4.263 -0.6245  0.5287 -0.3872
+ 7207TIP3   OH223068   4.501   5.088   3.645 -0.2312  0.4584  0.3161
+ 7207TIP3    H123069   4.406   5.089   3.630 -0.2339 -0.4561  0.2388
+ 7207TIP3    H223070   4.538   5.074   3.558 -0.1033 -1.0489  0.5934
+ 7208TIP3   OH223071   6.328   4.850   6.583  0.3168  0.2453  0.0927
+ 7208TIP3    H123072   6.291   4.800   6.656  0.1069  0.8431  0.3986
+ 7208TIP3    H223073   6.252   4.878   6.532  0.3797  1.0053  0.4130
+ 7209TIP3   OH223074   2.905   1.690   2.392  0.0491 -0.0419  0.5708
+ 7209TIP3    H123075   2.859   1.716   2.312  0.2872 -1.3527  0.0044
+ 7209TIP3    H223076   2.840   1.703   2.462 -0.7890 -0.7173 -0.0691
+ 7210TIP3   OH223077   4.326   4.778   4.708  0.5366  0.3444 -0.4471
+ 7210TIP3    H123078   4.386   4.708   4.733 -1.0299 -1.8420 -2.5996
+ 7210TIP3    H223079   4.254   4.771   4.771 -0.0037 -0.5034 -1.1609
+ 7211TIP3   OH223080   4.899   6.150   3.922 -0.2492 -0.5021  0.5531
+ 7211TIP3    H123081   4.810   6.153   3.886  0.0726  1.0720 -0.1684
+ 7211TIP3    H223082   4.887   6.128   4.014 -1.2556 -2.2084  0.0272
+ 7212TIP3   OH223083   3.683   5.578   4.652 -0.4858  0.2400 -0.1605
+ 7212TIP3    H123084   3.650   5.629   4.578 -3.5489 -0.7427  0.4432
+ 7212TIP3    H223085   3.689   5.488   4.619 -0.5225  0.0334  0.3835
+ 7213TIP3   OH223086   5.165   3.940   4.946  0.3017  0.5061 -0.3650
+ 7213TIP3    H123087   5.167   3.864   5.005  0.2776  0.8822  0.1255
+ 7213TIP3    H223088   5.257   3.953   4.921  0.1898 -0.2443 -1.1794
+ 7214TIP3   OH223089   1.795   4.265   3.865  0.0148  0.5683  0.6400
+ 7214TIP3    H123090   1.815   4.237   3.955  0.8468  0.1419  0.3247
+ 7214TIP3    H223091   1.834   4.197   3.810 -1.5206  0.1992 -0.0150
+ 7215TIP3   OH223092   4.305   4.568   3.738  0.0718  0.3084  0.3418
+ 7215TIP3    H123093   4.399   4.563   3.724 -0.1509  1.0685 -1.7014
+ 7215TIP3    H223094   4.281   4.654   3.703 -1.2779  0.4001  1.4656
+ 7216TIP3   OH223095   5.362   2.221   1.090 -0.7013 -0.7504  0.3782
+ 7216TIP3    H123096   5.307   2.295   1.065  0.4049 -1.1488 -3.5629
+ 7216TIP3    H223097   5.452   2.256   1.085 -0.1790 -2.3008 -1.4949
+ 7217TIP3   OH223098   5.675   5.223   4.172 -0.1343  0.1041  0.2217
+ 7217TIP3    H123099   5.624   5.242   4.250  0.0561  0.0775  0.3517
+ 7217TIP3    H223100   5.758   5.189   4.204 -1.6109 -4.0178 -0.0129
+ 7218TIP3   OH223101   5.270   3.397   5.686 -0.4235  0.3426 -0.3645
+ 7218TIP3    H123102   5.304   3.462   5.749 -0.5937 -0.1762  0.2658
+ 7218TIP3    H223103   5.307   3.425   5.602  0.9644  0.2385  0.1851
+ 7219TIP3   OH223104   4.308   3.370   5.569  0.9781 -0.0760 -0.0476
+ 7219TIP3    H123105   4.296   3.449   5.622  0.6623  0.3528 -0.7469
+ 7219TIP3    H223106   4.385   3.327   5.606  0.5681  0.0493  0.9590
+ 7220TIP3   OH223107   4.299   6.412   4.517  0.5122  0.0656 -0.4429
+ 7220TIP3    H123108   4.356   6.335   4.523  0.7831  0.3117  0.1307
+ 7220TIP3    H223109   4.213   6.376   4.496  0.1813 -0.5832  1.9190
+ 7221TIP3   OH223110   5.875   0.234   5.497  0.0870  0.1713  0.8279
+ 7221TIP3    H123111   5.855   0.146   5.526  1.4145 -0.3319  0.2415
+ 7221TIP3    H223112   5.954   0.259   5.546 -1.3444  1.7656  2.4077
+ 7222TIP3   OH223113   4.008   5.962   4.008 -0.5086 -0.1387  0.0687
+ 7222TIP3    H123114   4.034   6.000   4.092  0.6052  0.4217 -0.5269
+ 7222TIP3    H223115   3.950   5.890   4.032  0.6457 -0.6637  1.3825
+ 7223TIP3   OH223116   3.913   5.405   3.808  0.3168  0.0945  0.3390
+ 7223TIP3    H123117   3.997   5.359   3.809 -0.6607 -1.7759 -0.5993
+ 7223TIP3    H223118   3.868   5.376   3.888  0.9458  1.8348  1.3300
+ 7224TIP3   OH223119   4.786   1.594   2.558  0.1012  0.1063 -0.1846
+ 7224TIP3    H123120   4.780   1.554   2.471  0.0508  0.2494 -0.2471
+ 7224TIP3    H223121   4.791   1.520   2.618 -0.9202 -0.0092 -0.2340
+ 7225TIP3   OH223122   3.425   3.651   6.212 -0.0763 -0.4237 -0.4236
+ 7225TIP3    H123123   3.412   3.672   6.120  2.4840  0.7484 -0.5405
+ 7225TIP3    H223124   3.491   3.582   6.213 -0.4695 -0.8062  0.5226
+ 7226TIP3   OH223125   1.822   5.289   4.884 -0.5783 -0.1008 -0.3970
+ 7226TIP3    H123126   1.765   5.331   4.819 -0.4428 -0.1877 -0.5720
+ 7226TIP3    H223127   1.902   5.269   4.836 -0.0818  0.7741  0.0506
+ 7227TIP3   OH223128   3.685   0.444   6.403 -0.1079 -0.0845  0.0790
+ 7227TIP3    H123129   3.619   0.508   6.379 -0.5485  0.3309  2.3492
+ 7227TIP3    H223130   3.638   0.360   6.405 -0.0848 -0.1123 -0.3606
+ 7228TIP3   OH223131   3.631   4.446   5.368  0.1257 -0.2692  0.3694
+ 7228TIP3    H123132   3.698   4.475   5.430 -0.7845 -1.0115  1.7284
+ 7228TIP3    H223133   3.656   4.356   5.345  0.1573 -0.1858  0.0675
+ 7229TIP3   OH223134   3.380   5.931   4.104 -0.1155  0.1956 -0.4140
+ 7229TIP3    H123135   3.450   5.995   4.088 -0.2887  0.5443  0.1925
+ 7229TIP3    H223136   3.327   5.971   4.173 -0.5526 -0.3498 -0.4337
+ 7230TIP3   OH223137   6.503   1.131   6.472  0.1579 -0.1791 -0.5498
+ 7230TIP3    H123138   6.499   1.120   6.567  0.5826 -1.0966 -0.6310
+ 7230TIP3    H223139   6.530   1.045   6.439  0.1787  0.1798 -1.4869
+ 7231TIP3   OH223140   5.038   1.985   6.798  0.2962  0.0402  0.4055
+ 7231TIP3    H123141   4.972   1.919   6.820  0.9479 -1.4880 -2.0221
+ 7231TIP3    H223142   5.015   2.013   6.709  1.4744  1.3015  0.4926
+ 7232TIP3   OH223143   4.857   4.609   3.914  0.2415 -0.0138 -0.4308
+ 7232TIP3    H123144   4.885   4.700   3.927 -2.6357  0.7679  0.6454
+ 7232TIP3    H223145   4.836   4.603   3.821  2.6284 -0.2843 -1.0053
+ 7233TIP3   OH223146   3.655   4.896   5.058  0.3696  1.0019 -0.2037
+ 7233TIP3    H123147   3.674   4.893   4.965  1.0752  0.8223 -0.0585
+ 7233TIP3    H223148   3.669   4.806   5.088  2.7896  1.6015  0.5806
+ 7234TIP3   OH223149   4.602   4.056   5.358 -0.0462  0.2105  0.0542
+ 7234TIP3    H123150   4.691   4.083   5.335  0.3823 -0.7306  0.5562
+ 7234TIP3    H223151   4.594   3.967   5.323 -0.4924 -0.0286  0.7384
+ 7235TIP3   OH223152   4.505   3.622   5.355  0.1763  0.3885  0.0732
+ 7235TIP3    H123153   4.559   3.550   5.387  0.9888  1.6661  1.6293
+ 7235TIP3    H223154   4.509   3.688   5.424  0.1428  2.2854 -1.6695
+ 7236TIP3   OH223155   6.740   4.100   0.385  0.3143 -0.0469  0.5933
+ 7236TIP3    H123156   6.654   4.103   0.428  0.4750 -0.1219  0.9178
+ 7236TIP3    H223157   6.783   4.024   0.424  0.1246 -0.6319 -0.3286
+ 7237TIP3   OH223158   4.436   6.759   0.408 -0.2905 -0.1401  0.0768
+ 7237TIP3    H123159   4.409   6.668   0.403 -0.5150 -0.1019  0.6461
+ 7237TIP3    H223160   4.465   6.780   0.319 -3.6836  0.3048 -0.9863
+ 7238TIP3   OH223161   3.443   5.250   5.271 -0.0760 -0.3546  0.3833
+ 7238TIP3    H123162   3.358   5.246   5.315 -0.6884 -0.7826 -0.8177
+ 7238TIP3    H223163   3.458   5.343   5.258  0.5887 -0.1507  2.3790
+ 7239TIP3   OH223164   5.360   4.746   3.820 -0.1564  0.0633  0.1843
+ 7239TIP3    H123165   5.306   4.806   3.871  0.6253  0.7646  0.1844
+ 7239TIP3    H223166   5.403   4.690   3.886 -1.0677 -0.6613  0.1727
+ 7240TIP3   OH223167   0.311   3.765   0.124  0.9512  0.1008 -0.5217
+ 7240TIP3    H123168   0.395   3.810   0.124  0.9319  0.1779  0.8646
+ 7240TIP3    H223169   0.248   3.833   0.150  0.5724 -0.1338 -0.8287
+ 7241TIP3   OH223170   2.850   5.205   4.646 -0.2002  0.4761  0.1472
+ 7241TIP3    H123171   2.778   5.170   4.697  0.5215  1.0084  1.5538
+ 7241TIP3    H223172   2.903   5.254   4.709  0.2204  1.8985 -1.2827
+ 7242TIP3   OH223173   3.579   2.942   5.939  0.3073 -0.3881  0.3149
+ 7242TIP3    H123174   3.503   2.914   5.887 -0.3940 -0.8654  1.5908
+ 7242TIP3    H223175   3.602   2.865   5.990 -0.5705  0.8230  2.5875
+ 7243TIP3   OH223176   2.919   5.627   5.546  0.4486 -0.1105 -0.8466
+ 7243TIP3    H123177   2.962   5.675   5.617 -1.1627  0.3696 -0.1733
+ 7243TIP3    H223178   2.891   5.545   5.586 -0.5327  0.1939 -0.8983
+ 7244TIP3   OH223179   5.309   6.313   4.271  0.3054  0.2475 -0.4055
+ 7244TIP3    H123180   5.328   6.266   4.353  1.8825 -0.6792 -1.2642
+ 7244TIP3    H223181   5.217   6.336   4.277  0.3361 -0.0417  1.5247
+ 7245TIP3   OH223182   3.123   4.503   5.411 -0.6157 -0.0666  0.1094
+ 7245TIP3    H123183   3.203   4.549   5.386 -0.6304  1.1765  2.2057
+ 7245TIP3    H223184   3.058   4.573   5.420 -1.2294 -0.7637  1.1352
+ 7246TIP3   OH223185   4.785   1.475   0.304  0.5900  0.6759 -0.3854
+ 7246TIP3    H123186   4.806   1.470   0.398  0.8341  0.1220 -0.4690
+ 7246TIP3    H223187   4.691   1.459   0.300  0.1621  3.0145 -0.0249
+ 7247TIP3   OH223188   3.163   2.201   6.374 -0.7682 -0.1027  0.2956
+ 7247TIP3    H123189   3.182   2.295   6.381 -1.5477  0.0756  0.1120
+ 7247TIP3    H223190   3.210   2.162   6.447  1.4438  0.1227 -0.9794
+ 7248TIP3   OH223191   5.736   3.941   0.036  0.0291  0.1952 -0.3696
+ 7248TIP3    H123192   5.808   3.895  -0.006 -1.6449 -0.8578 -2.1793
+ 7248TIP3    H223193   5.778   3.995   0.103  2.4529 -0.6003 -1.1830
+ 7249TIP3   OH223194   2.978   4.731   5.451 -0.2131 -0.8825 -0.6636
+ 7249TIP3    H123195   2.964   4.810   5.400  0.9019 -1.0272 -1.2037
+ 7249TIP3    H223196   2.902   4.676   5.431 -0.3072 -0.5099 -1.3562
+ 7250TIP3   OH223197   3.723   5.858   5.881  0.2579  0.3954 -0.1061
+ 7250TIP3    H123198   3.648   5.805   5.855 -0.3782  0.7110  1.0589
+ 7250TIP3    H223199   3.714   5.868   5.976  1.3888  1.0285 -0.0497
+ 7251TIP3   OH223200   5.496   3.904   4.504  0.6090  0.1834 -0.2226
+ 7251TIP3    H123201   5.547   3.912   4.585  0.7863  0.0003 -0.3142
+ 7251TIP3    H223202   5.559   3.871   4.439 -0.2498 -2.8372  0.3677
+ 7252TIP3   OH223203   4.889   3.500   5.242 -0.4401 -0.2930 -0.0405
+ 7252TIP3    H123204   4.897   3.593   5.221 -0.7045 -0.1021  0.6927
+ 7252TIP3    H223205   4.948   3.487   5.316  1.5271 -1.2552 -1.7380
+ 7253TIP3   OH223206   3.945   6.184   3.861  0.1080 -0.0334  0.3083
+ 7253TIP3    H123207   3.977   6.122   3.927 -0.8704 -2.9029 -1.7757
+ 7253TIP3    H223208   3.854   6.201   3.887  0.5119  0.9139  1.1321
+ 7254TIP3   OH223209   4.161   5.441   3.458 -0.4384  0.8143 -0.1489
+ 7254TIP3    H123210   4.128   5.366   3.508 -0.5472  0.4628 -0.7400
+ 7254TIP3    H223211   4.138   5.517   3.511 -2.0232  0.5562 -0.4421
+ 7255TIP3   OH223212   4.662   4.894   6.547 -0.2376 -0.6291  0.3479
+ 7255TIP3    H123213   4.750   4.911   6.580 -0.0446  0.6626 -0.7918
+ 7255TIP3    H223214   4.659   4.799   6.534  1.0877 -0.6534  0.1228
+ 7256TIP3   OH223215   4.853   5.447   4.357 -0.1644  0.1378 -0.9409
+ 7256TIP3    H123216   4.816   5.359   4.346  1.0791 -0.5655  0.1854
+ 7256TIP3    H223217   4.789   5.494   4.410 -0.8419 -0.0868 -1.5547
+ 7257TIP3   OH223218   5.798   2.234   4.494 -0.0760 -0.2064  0.0295
+ 7257TIP3    H123219   5.764   2.264   4.410 -0.2478 -0.4591  0.0073
+ 7257TIP3    H223220   5.720   2.215   4.546  0.0175 -1.8102 -0.3857
+ 7258TIP3   OH223221   6.101   6.504   2.598 -0.0489  0.0596 -0.3100
+ 7258TIP3    H123222   6.026   6.554   2.566 -0.4658 -0.2206  0.2213
+ 7258TIP3    H223223   6.161   6.569   2.634  0.6855  0.4358 -2.1680
+ 7259TIP3   OH223224   5.667   0.649   5.603  0.2923  0.2664  0.3648
+ 7259TIP3    H123225   5.682   0.558   5.579  0.1318  0.5440 -0.8091
+ 7259TIP3    H223226   5.642   0.692   5.521  1.1334  1.5295  0.7514
+ 7260TIP3   OH223227   6.239   4.513   2.780  0.2799 -0.4412 -0.1658
+ 7260TIP3    H123228   6.180   4.567   2.833 -0.1424  0.2658 -1.3106
+ 7260TIP3    H223229   6.226   4.424   2.811  1.8737  0.2577  2.5879
+ 7261TIP3   OH223230   4.284   1.141   3.683 -0.0762 -0.1721  0.1157
+ 7261TIP3    H123231   4.262   1.078   3.752 -0.2506 -0.6096 -0.3429
+ 7261TIP3    H223232   4.358   1.190   3.719 -0.1473 -0.4164  0.6052
+ 7262TIP3   OH223233   5.348   5.113   4.219 -0.2439 -0.0039  0.3863
+ 7262TIP3    H123234   5.332   5.174   4.147 -0.4359  0.6500  0.9812
+ 7262TIP3    H223235   5.391   5.166   4.286 -0.4774 -0.5046  0.9374
+ 7263TIP3   OH223236   6.024   5.215   2.141 -0.8320 -0.4957  0.1406
+ 7263TIP3    H123237   6.103   5.264   2.164 -2.1187  1.2526  0.9847
+ 7263TIP3    H223238   5.987   5.190   2.226 -0.3608 -2.6867 -0.2792
+ 7264TIP3   OH223239   5.805   3.131   4.349  0.3917 -1.2018  0.6612
+ 7264TIP3    H123240   5.833   3.099   4.435  0.9857  0.2425  1.0161
+ 7264TIP3    H223241   5.887   3.152   4.303  0.0033  1.1087  0.9529
+ 7265TIP3   OH223242   4.366   4.792   4.003  0.0960 -0.0373 -0.3746
+ 7265TIP3    H123243   4.281   4.755   3.978 -1.0233  2.1637  0.0936
+ 7265TIP3    H223244   4.345   4.859   4.067  2.2907 -0.0831  0.4238
+ 7266TIP3   OH223245   4.033   4.642   3.804 -0.1257  0.1991  0.3188
+ 7266TIP3    H123246   4.096   4.577   3.775 -0.9888 -0.6041  0.2139
+ 7266TIP3    H223247   4.021   4.699   3.729 -1.1274 -0.9120 -0.3872
+ 7267TIP3   OH223248   4.443   5.663   0.495  0.2092  0.1895  0.0883
+ 7267TIP3    H123249   4.461   5.575   0.462  0.1145  0.2976 -0.2515
+ 7267TIP3    H223250   4.530   5.699   0.514  0.1226 -1.2770  3.6472
+ 7268TIP3   OH223251   4.851   4.369   5.350  0.8122 -0.2295  0.0319
+ 7268TIP3    H123252   4.919   4.429   5.381  0.2726 -1.0564  2.9479
+ 7268TIP3    H223253   4.831   4.314   5.426 -2.7167 -0.3785 -0.9277
+ 7269TIP3   OH223254   4.716   5.230   5.047  0.1316 -0.2991  0.0147
+ 7269TIP3    H123255   4.711   5.291   4.973  2.8223 -2.9693 -2.4918
+ 7269TIP3    H223256   4.778   5.270   5.107  0.0386  0.5768 -0.4630
+ 7270TIP3   OH223257   0.633   6.462   6.141 -0.3004  0.3530 -0.6645
+ 7270TIP3    H123258   0.622   6.443   6.048  0.4910  0.6632 -0.8252
+ 7270TIP3    H223259   0.718   6.505   6.147  0.5534 -1.4356  0.4552
+ 7271TIP3   OH223260   5.444   3.958   4.948 -0.0028 -0.2040 -0.0337
+ 7271TIP3    H123261   5.455   3.965   4.853 -1.1538 -0.6390 -0.2137
+ 7271TIP3    H223262   5.530   3.932   4.980  0.2269 -0.7145 -1.0394
+ 7272TIP3   OH223263   2.145   5.936   4.553  0.4405  0.2183 -0.5984
+ 7272TIP3    H123264   2.163   5.993   4.478  3.2563  0.4225  0.1681
+ 7272TIP3    H223265   2.203   5.968   4.621 -1.1680 -0.7858  1.2825
+ 7273TIP3   OH223266   4.530   2.101   4.143  0.7848  0.4505 -0.0629
+ 7273TIP3    H123267   4.545   2.182   4.094  0.8773 -0.6485 -1.9016
+ 7273TIP3    H223268   4.616   2.060   4.148  0.2680 -0.8561 -1.5633
+ 7274TIP3   OH223269   3.897   4.691   4.276 -0.6113 -0.2246 -0.0832
+ 7274TIP3    H123270   3.809   4.673   4.243 -1.2051  1.0935  0.7170
+ 7274TIP3    H223271   3.884   4.713   4.368  0.6170 -0.5161  0.1653
+ 7275TIP3   OH223272   1.664   5.569   3.802 -0.1227 -0.2678 -0.6740
+ 7275TIP3    H123273   1.754   5.560   3.832  0.4343 -1.6419 -2.6103
+ 7275TIP3    H223274   1.665   5.648   3.747  0.0854 -0.6833 -1.2757
+ 7276TIP3   OH223275   5.955   3.689   4.162 -0.5996 -0.6971  0.7204
+ 7276TIP3    H123276   6.050   3.679   4.157 -0.6240 -0.1399 -1.2252
+ 7276TIP3    H223277   5.929   3.630   4.233  1.0440 -1.8286  0.4190
+ 7277TIP3   OH223278   6.803   6.213   2.930 -0.4962 -0.1323  0.2204
+ 7277TIP3    H123279   6.886   6.257   2.949 -0.2151 -0.4892 -0.1648
+ 7277TIP3    H223280   6.821   6.161   2.851 -1.5638  1.1371 -0.8933
+ 7278TIP3   OH223281   6.528   4.041   5.853 -0.7803  0.0060  0.6014
+ 7278TIP3    H123282   6.492   3.955   5.874  2.1182 -1.4532 -0.1802
+ 7278TIP3    H223283   6.584   4.063   5.927  0.4705  0.0610 -0.3478
+ 7279TIP3   OH223284   1.268   6.209   4.930 -0.6913  0.5468 -0.4662
+ 7279TIP3    H123285   1.181   6.214   4.892 -1.0424 -0.2585  0.2218
+ 7279TIP3    H223286   1.265   6.267   5.006 -0.6715  0.4138 -0.3629
+ 7280TIP3   OH223287   5.354   4.095   6.883  0.2396  0.0558  0.0005
+ 7280TIP3    H123288   5.435   4.145   6.865  0.7137 -1.1222 -1.2054
+ 7280TIP3    H223289   5.381   4.003   6.880 -1.3695 -0.3860 -1.4901
+ 7281TIP3   OH223290   5.248   5.232   5.245  0.8962 -0.1784  0.1608
+ 7281TIP3    H123291   5.336   5.260   5.271  0.4899  1.9276 -0.6294
+ 7281TIP3    H223292   5.245   5.247   5.150 -0.5307  0.4049  0.2879
+ 7282TIP3   OH223293   5.078   6.409   6.886  0.2052  0.0600  0.1122
+ 7282TIP3    H123294   5.165   6.439   6.914  1.4752 -1.0223 -2.5794
+ 7282TIP3    H223295   5.079   6.314   6.900 -0.8841  0.1436  0.8738
+ 7283TIP3   OH223296   4.264   4.169   5.566  0.0633  0.3109  0.1530
+ 7283TIP3    H123297   4.357   4.149   5.560 -0.0152 -0.9823  2.6275
+ 7283TIP3    H223298   4.226   4.131   5.486  1.5303  0.1832 -0.4985
+ 7284TIP3   OH223299   3.726   5.327   4.500 -0.0324 -0.5143  0.1651
+ 7284TIP3    H123300   3.649   5.302   4.449 -0.0836 -0.7572  0.3636
+ 7284TIP3    H223301   3.781   5.249   4.500 -0.4200 -0.7866  1.2162
+ 7285TIP3   OH223302   5.099   0.290   4.963  0.0915  0.1314  0.2480
+ 7285TIP3    H123303   5.162   0.337   4.908  0.9528 -0.2867  0.8643
+ 7285TIP3    H223304   5.024   0.349   4.969  0.5545  0.7790 -0.2169
+ 7286TIP3   OH223305   3.157   6.676   5.390  0.1284  0.1112 -0.5526
+ 7286TIP3    H123306   3.094   6.610   5.419 -1.1459  1.8878  0.8186
+ 7286TIP3    H223307   3.112   6.724   5.321  1.1805 -0.6456 -1.7903
+ 7287TIP3   OH223308   3.470   5.245   4.412  0.4330  0.2025 -0.0800
+ 7287TIP3    H123309   3.445   5.238   4.320 -1.9549  0.5983  0.5104
+ 7287TIP3    H223310   3.425   5.173   4.455  0.6259  0.6841  0.9604
+ 7288TIP3   OH223311   1.741   6.450   5.083 -0.2062 -0.2637  0.4846
+ 7288TIP3    H123312   1.827   6.429   5.119 -0.1510  0.2618  0.6633
+ 7288TIP3    H223313   1.740   6.546   5.075  0.3311 -0.4402 -2.2705
+ 7289TIP3   OH223314   4.048   0.300   5.142  0.3068 -0.0619  0.2244
+ 7289TIP3    H123315   4.074   0.230   5.082 -2.1644 -1.0312  0.2470
+ 7289TIP3    H223316   4.046   0.258   5.228  1.4248  0.7256  0.6582
+ 7290TIP3   OH223317   3.910   5.504   4.364  0.3477 -0.0962  0.0932
+ 7290TIP3    H123318   3.841   5.464   4.416  0.4805 -2.2800 -1.3327
+ 7290TIP3    H223319   3.884   5.596   4.357 -0.8314 -0.2392  2.0711
+ 7291TIP3   OH223320   4.660   4.737   5.397  0.7419 -0.3072 -0.4357
+ 7291TIP3    H123321   4.744   4.766   5.431 -0.2166  0.8639  1.0030
+ 7291TIP3    H223322   4.673   4.727   5.303  1.3427  3.9825 -0.8817
+ 7292TIP3   OH223323   4.937   5.329   5.161 -0.1204  0.3142 -0.1141
+ 7292TIP3    H123324   4.970   5.318   5.250  1.5657 -0.4769 -0.8224
+ 7292TIP3    H223325   4.971   5.413   5.132  0.8303 -0.2369 -0.6350
+ 7293TIP3   OH223326   3.800   5.754   5.331 -0.2971 -0.0310  0.1634
+ 7293TIP3    H123327   3.721   5.762   5.385 -0.1971 -1.2282  0.5072
+ 7293TIP3    H223328   3.859   5.821   5.365 -0.0956 -1.0323  1.7887
+ 7294TIP3   OH223329   0.087   1.995   4.830  0.1664 -0.1407 -0.3732
+ 7294TIP3    H123330   0.018   2.013   4.767 -1.0561 -1.5268  0.5325
+ 7294TIP3    H223331   0.085   1.899   4.841  0.6967  0.0224  1.3431
+ 7295TIP3   OH223332   4.700   5.650   3.637 -0.2992  0.3872  0.0187
+ 7295TIP3    H123333   4.722   5.712   3.568  1.4990  1.8210  1.7897
+ 7295TIP3    H223334   4.642   5.699   3.695  0.9997  0.4023  1.3411
+ 7296TIP3   OH223335   3.249   4.355   3.588 -0.2796  0.3154 -0.1417
+ 7296TIP3    H123336   3.162   4.341   3.552  0.8474 -0.7718 -2.5229
+ 7296TIP3    H223337   3.272   4.444   3.561 -0.1996  0.1864 -0.5045
+ 7297TIP3   OH223338   4.168   4.683   4.925  0.7542 -0.5991 -0.1069
+ 7297TIP3    H123339   4.187   4.590   4.914 -0.3290 -1.0430  1.6907
+ 7297TIP3    H223340   4.075   4.687   4.945  0.7815  0.8835 -0.2295
+ 7298TIP3   OH223341   4.487   4.194   6.563 -0.4119  0.6895  0.5016
+ 7298TIP3    H123342   4.535   4.112   6.568 -0.1855  0.8303  0.6692
+ 7298TIP3    H223343   4.535   4.246   6.499 -1.0282  0.3807 -0.2135
+ 7299TIP3   OH223344   3.042   3.471   5.287 -0.1184 -0.2275  0.4806
+ 7299TIP3    H123345   3.029   3.565   5.290  1.8042  0.0749  0.0467
+ 7299TIP3    H223346   2.954   3.434   5.286 -0.8772  1.5240  1.6606
+ 7300TIP3   OH223347   4.301   4.754   6.365 -0.1170 -0.2056 -0.1048
+ 7300TIP3    H123348   4.385   4.747   6.319 -0.6701  2.5255 -1.6869
+ 7300TIP3    H223349   4.320   4.811   6.440 -0.4771  0.1726 -0.2997
+ 7301TIP3   OH223350   2.526   4.560   2.655 -0.4863 -0.5139 -0.2209
+ 7301TIP3    H123351   2.448   4.516   2.689  0.5718 -0.5711  2.2934
+ 7301TIP3    H223352   2.593   4.491   2.653  0.5500  0.4023  1.5052
+ 7302TIP3   OH223353   4.741   4.618   5.809 -0.4716 -0.3513  0.1129
+ 7302TIP3    H123354   4.666   4.633   5.751 -0.6947 -2.9181 -0.3427
+ 7302TIP3    H223355   4.800   4.691   5.792 -1.6734  0.2732 -1.4998
+ 7303TIP3   OH223356   6.332   4.683   6.334 -0.7139 -0.5431 -0.5565
+ 7303TIP3    H123357   6.427   4.672   6.340 -0.6971  0.1134  0.3522
+ 7303TIP3    H223358   6.308   4.736   6.410 -1.9196 -1.3795 -0.3340
+ 7304TIP3   OH223359   5.692   4.725   2.843  0.3419  0.4186 -0.2582
+ 7304TIP3    H123360   5.751   4.654   2.867  1.0649  1.2114  0.3910
+ 7304TIP3    H223361   5.612   4.682   2.815  0.5740 -0.6304  0.6568
+ 7305TIP3   OH223362   6.767   6.301   4.564  0.3453  0.1047  0.0156
+ 7305TIP3    H123363   6.709   6.336   4.496  0.6561  1.6845  0.5400
+ 7305TIP3    H223364   6.846   6.355   4.557  1.0417 -0.8441  0.5151
+ 7306TIP3   OH223365   4.651   4.656   5.031 -0.1467 -0.0933  0.3087
+ 7306TIP3    H123366   4.572   4.701   5.061 -1.1348 -1.2464 -0.5367
+ 7306TIP3    H223367   4.719   4.723   5.035 -1.6040  1.5177 -1.0075
+ 7307TIP3   OH223368   4.356   5.097   3.936 -0.4719 -0.0614 -0.2440
+ 7307TIP3    H123369   4.437   5.148   3.929  0.6953 -2.0379 -1.6211
+ 7307TIP3    H223370   4.340   5.091   4.031  1.3080 -0.1241  0.0716
+ 7308TIP3   OH223371   4.816   6.198   5.068  0.0803  0.3174  0.1068
+ 7308TIP3    H123372   4.759   6.181   5.144 -0.2295  0.9419  0.0166
+ 7308TIP3    H223373   4.877   6.265   5.099  1.2300 -0.8532  0.4261
+ 7309TIP3   OH223374   6.274   4.904   3.830 -0.0879  0.0929 -0.1034
+ 7309TIP3    H123375   6.320   4.832   3.872  0.1832 -0.3120 -1.0632
+ 7309TIP3    H223376   6.333   4.932   3.760 -0.0703  1.4325  0.4345
+ 7310TIP3   OH223377   1.124   2.622   4.439 -0.2179  0.1606 -0.1728
+ 7310TIP3    H123378   1.063   2.659   4.375 -0.7589 -1.8621 -0.8663
+ 7310TIP3    H223379   1.069   2.588   4.509  0.3507  1.8897  1.1320
+ 7311TIP3   OH223380   0.149   2.649   6.164  0.2614  0.5628 -0.1234
+ 7311TIP3    H123381   0.170   2.567   6.209  0.4220  0.8873  0.3860
+ 7311TIP3    H223382   0.065   2.631   6.120  1.0181 -0.3545 -1.2260
+ 7312TIP3   OH223383   5.823   4.993   5.993  0.5395 -0.2228  0.1286
+ 7312TIP3    H123384   5.737   5.025   6.022  0.5803  0.6321 -0.6525
+ 7312TIP3    H223385   5.821   5.004   5.898  0.9784 -1.5653 -0.0454
+ 7313TIP3   OH223386   1.028   2.475   3.218 -0.3376  0.0974  0.3058
+ 7313TIP3    H123387   1.064   2.497   3.133  0.1963 -1.2788  0.1633
+ 7313TIP3    H223388   1.094   2.505   3.281 -0.0661 -0.1692  0.1539
+ 7314TIP3   OH223389   6.765   2.793   6.154  0.2460 -0.3649 -0.0877
+ 7314TIP3    H123390   6.742   2.726   6.218 -0.1018  0.1942  0.3876
+ 7314TIP3    H223391   6.681   2.830   6.127  0.4756  0.3872  0.2183
+ 7315TIP3   OH223392   5.323   4.222   6.599  0.2760  0.0596  0.0177
+ 7315TIP3    H123393   5.359   4.206   6.686  0.4923 -1.3107 -0.3061
+ 7315TIP3    H223394   5.356   4.149   6.546 -1.2964 -0.0889 -0.7811
+ 7316TIP3   OH223395   6.143   3.174   4.628  0.1163  0.4113  0.2948
+ 7316TIP3    H123396   6.225   3.196   4.586 -0.0944  2.6270  0.9440
+ 7316TIP3    H223397   6.165   3.104   4.690  1.0961 -0.3861 -0.9470
+ 7317TIP3   OH223398   5.847   5.753   6.436 -0.3189  0.6877 -0.0345
+ 7317TIP3    H123399   5.936   5.741   6.469  0.2638  0.6867 -1.6027
+ 7317TIP3    H223400   5.857   5.807   6.358 -1.7369  1.0282  0.0178
+ 7318TIP3   OH223401   1.255   1.995   4.903  0.1326  0.3628 -0.4283
+ 7318TIP3    H123402   1.203   1.988   4.983  1.0090  0.8524  0.1856
+ 7318TIP3    H223403   1.204   1.947   4.838 -0.4648 -0.2465  0.4752
+ 7319TIP3   OH223404   0.381   3.672   5.754  0.1384  0.4788 -0.0614
+ 7319TIP3    H123405   0.425   3.733   5.695  1.1453 -0.8319 -0.7046
+ 7319TIP3    H223406   0.427   3.682   5.837  0.5303  0.3574 -0.2614
+ 7320TIP3   OH223407   3.886   5.501   5.670 -0.1677 -0.0149  0.1669
+ 7320TIP3    H123408   3.976   5.471   5.658  0.8141  2.1878  1.6024
+ 7320TIP3    H223409   3.847   5.437   5.729  0.8532 -0.3295  0.5180
+ 7321TIP3   OH223410   5.052   3.230   4.926  0.2728  0.2308  0.4243
+ 7321TIP3    H123411   5.124   3.187   4.879 -0.4255 -0.2072 -0.2608
+ 7321TIP3    H223412   5.039   3.312   4.879 -0.5006 -0.2576 -0.2448
+ 7322TIP3   OH223413   6.554   4.131   4.031  0.2470  0.1214  0.1382
+ 7322TIP3    H123414   6.589   4.071   3.966  0.5543  1.1414 -0.6443
+ 7322TIP3    H223415   6.618   4.130   4.102  0.9193  0.5308 -0.4540
+ 7323TIP3   OH223416   0.766   4.743   5.945 -0.4779 -0.1703  0.2642
+ 7323TIP3    H123417   0.723   4.682   6.005  0.3547 -1.2849 -0.2690
+ 7323TIP3    H223418   0.727   4.724   5.859  0.8085 -0.9697 -0.1680
+ 7324TIP3   OH223419   6.731   6.059   6.521  0.1665 -0.0613  0.5806
+ 7324TIP3    H123420   6.799   6.014   6.570  0.4033 -0.3876 -0.0449
+ 7324TIP3    H223421   6.652   6.048   6.574  0.8624  1.4857  1.9876
+ 7325TIP3   OH223422   6.353   5.815   3.939 -0.1509  0.1120 -0.4249
+ 7325TIP3    H123423   6.367   5.730   3.896  0.9910 -0.0084  0.1787
+ 7325TIP3    H223424   6.263   5.809   3.973  0.5503 -1.5856  1.2324
+ 7326TIP3   OH223425   6.189   4.242   6.845  0.3819  0.6496 -0.1190
+ 7326TIP3    H123426   6.184   4.253   6.750 -2.3211 -3.4362 -0.5735
+ 7326TIP3    H223427   6.112   4.288   6.879 -0.4078 -0.5777 -0.2288
+ 7327TIP3   OH223428   4.571   3.442   4.745 -0.5801  0.6206 -0.2109
+ 7327TIP3    H123429   4.557   3.399   4.830 -0.3545  0.7502 -0.1073
+ 7327TIP3    H223430   4.591   3.533   4.767 -0.8113  0.7211 -0.4189
+ 7328TIP3   OH223431   6.895   5.616   6.352  0.3519  0.0484  0.5200
+ 7328TIP3    H123432   6.948   5.692   6.331 -0.6563  0.9690  1.2316
+ 7328TIP3    H223433   6.832   5.610   6.281  1.2685 -0.9324 -0.2280
+ 7329TIP3   OH223434   6.464   4.860   6.061  0.1596  0.4348 -0.1074
+ 7329TIP3    H123435   6.512   4.940   6.082  1.4678 -0.2002 -0.6448
+ 7329TIP3    H223436   6.374   4.878   6.089  0.5857  1.8402  0.3898
+ 7330TIP3   OH223437   6.505   4.213   5.418  0.0664 -0.0117 -0.1465
+ 7330TIP3    H123438   6.462   4.292   5.451  1.1389  0.8530 -0.8040
+ 7330TIP3    H223439   6.566   4.188   5.488  0.5541  0.4025 -0.4222
+ 7331TIP3   OH223440   5.770   4.520   4.748 -0.4788  0.2528 -0.4560
+ 7331TIP3    H123441   5.864   4.536   4.756 -0.7282  0.9601  1.2491
+ 7331TIP3    H223442   5.748   4.549   4.659  0.7533  0.8638 -0.5702
+ 7332TIP3   OH223443   5.699   4.540   4.475  0.1205 -0.5522 -0.6667
+ 7332TIP3    H123444   5.694   4.633   4.453 -0.9743 -0.5166 -0.3043
+ 7332TIP3    H223445   5.635   4.498   4.418 -2.1583 -0.5584  1.8222
+ 7333TIP3   OH223446   1.354   5.392   5.792 -0.1032 -0.5627  0.6217
+ 7333TIP3    H123447   1.433   5.370   5.744  0.3310  1.2122  0.4747
+ 7333TIP3    H223448   1.286   5.401   5.725 -0.0227 -0.3508  0.5684
+ 7334TIP3   OH223449   0.338   5.605   3.610  0.9076 -0.0539 -0.2385
+ 7334TIP3    H123450   0.247   5.588   3.635  0.8212  1.0752  0.2528
+ 7334TIP3    H223451   0.387   5.531   3.647  0.3469 -0.0442  0.5503
+ 7335TIP3   OH223452   6.342   6.572   6.813  0.0642 -0.0687 -0.0194
+ 7335TIP3    H123453   6.400   6.558   6.888 -1.2808  0.6174  1.1676
+ 7335TIP3    H223454   6.312   6.485   6.788  0.2466 -0.2644  0.4507
+ 7336TIP3   OH223455   5.688   6.576   6.641 -0.3307  0.8757 -0.2527
+ 7336TIP3    H123456   5.601   6.535   6.642 -0.8664  1.9967  0.7722
+ 7336TIP3    H223457   5.718   6.566   6.551 -1.9065  1.2363 -0.8521
+ 7337TIP3   OH223458   6.658   4.108   6.079 -0.0309  0.2225 -0.0372
+ 7337TIP3    H123459   6.666   4.020   6.114  0.0172 -0.4480 -1.6709
+ 7337TIP3    H223460   6.708   4.163   6.139  0.0097 -0.8733  0.9386
+ 7338TIP3   OH223461   0.676   4.260   4.517 -0.1082 -0.2187 -0.5518
+ 7338TIP3    H123462   0.706   4.204   4.589 -1.0950  0.2585  0.2515
+ 7338TIP3    H223463   0.676   4.202   4.440 -0.3971 -1.1225  0.1181
+ 7339TIP3   OH223464   5.683   5.574   5.601  0.0565 -0.1064  0.0427
+ 7339TIP3    H123465   5.692   5.567   5.505  0.3813  0.2504  0.0433
+ 7339TIP3    H223466   5.592   5.597   5.615 -0.3916 -1.7371 -0.0943
+ 7340TIP3   OH223467   1.358   4.180   4.608  0.3589  0.2521 -0.3033
+ 7340TIP3    H123468   1.452   4.162   4.605  0.7712  1.8945  1.5288
+ 7340TIP3    H223469   1.342   4.209   4.698 -2.3887 -2.3919  0.1523
+ 7341TIP3   OH223470   6.809   5.374   4.095 -0.0383  0.5451  0.1315
+ 7341TIP3    H123471   6.842   5.402   4.180 -0.8367 -0.1435  0.6809
+ 7341TIP3    H223472   6.731   5.428   4.081  1.3243  2.2194 -1.1947
+ 7342TIP3   OH223473   1.437   4.031   5.955  0.7103 -0.1382 -0.0706
+ 7342TIP3    H123474   1.501   3.979   6.004 -0.8239  0.0289  2.1385
+ 7342TIP3    H223475   1.429   4.113   6.004 -1.3421 -0.2242 -0.2167
+ 7343TIP3   OH223476   5.889   4.896   6.236  0.7555 -0.1245 -0.1104
+ 7343TIP3    H123477   5.871   4.934   6.150 -1.8908  0.2255  0.5506
+ 7343TIP3    H223478   5.885   4.802   6.222  2.1328 -0.1134 -0.7024
+ 7344TIP3   OH223479   6.686   3.670   5.954  0.8653  0.0197 -0.0294
+ 7344TIP3    H123480   6.606   3.619   5.962  0.0627  1.1608 -0.5792
+ 7344TIP3    H223481   6.755   3.606   5.937  0.1163 -0.9939  0.7729
+ 7345TIP3   OH223482   0.942   3.806   5.522  0.0978 -0.2676 -0.6711
+ 7345TIP3    H123483   0.946   3.901   5.524 -0.6427 -0.2070 -1.8179
+ 7345TIP3    H223484   0.879   3.786   5.453  1.7472 -1.6171 -1.8295
+ 7346TIP3   OH223485   5.135   4.514   4.243 -0.1852 -0.2356  0.2978
+ 7346TIP3    H123486   5.162   4.452   4.310  0.3897  1.0215  1.2682
+ 7346TIP3    H223487   5.210   4.573   4.233 -0.9931  0.7604 -0.0297
+ 7347TIP3   OH223488   5.833   4.223   4.205  0.1213  0.3116 -0.7383
+ 7347TIP3    H123489   5.800   4.232   4.294  0.8428 -0.1248 -0.4256
+ 7347TIP3    H223490   5.878   4.139   4.204  0.4094  0.4699 -1.4174
+ 7348TIP3   OH223491   0.524   4.339  -0.001  0.3539  0.2822  0.0960
+ 7348TIP3    H123492   0.558   4.286   0.071  0.7266  2.1723  1.3681
+ 7348TIP3    H223493   0.502   4.423   0.040 -1.2856  0.7325 -1.6395
+ 7349TIP3   OH223494   0.367   4.975   3.500 -0.3615 -0.1677 -0.4718
+ 7349TIP3    H123495   0.357   4.899   3.557 -1.5786  1.1068  1.0894
+ 7349TIP3    H223496   0.412   5.040   3.554 -3.4983  1.8495 -0.0987
+ 7350TIP3   OH223497   1.452   2.806   6.564  0.5209  0.7052 -0.6405
+ 7350TIP3    H123498   1.437   2.713   6.582  0.5420  1.0615  1.4530
+ 7350TIP3    H223499   1.378   2.831   6.508 -0.1729 -0.2921 -0.2031
+ 7351TIP3   OH223500   0.565   6.169   2.093  0.0154  0.5963  0.3983
+ 7351TIP3    H123501   0.473   6.174   2.117  0.2426  1.0426  1.1800
+ 7351TIP3    H223502   0.576   6.080   2.057 -1.1324  1.1913 -1.4828
+ 7352TIP3   OH223503   5.526   5.319   5.299 -0.0525  0.3427 -0.0938
+ 7352TIP3    H123504   5.608   5.302   5.253  0.3072  1.4013  0.1377
+ 7352TIP3    H223505   5.527   5.413   5.315 -1.0799  0.2793  0.3553
+ 7353TIP3   OH223506   5.188   3.927   6.214  0.0989  0.0083 -0.1508
+ 7353TIP3    H123507   5.143   3.852   6.175  0.7330 -0.1724 -0.5496
+ 7353TIP3    H223508   5.180   3.997   6.149  1.6815 -0.4755 -0.8896
+ 7354TIP3   OH223509   6.849   3.967   6.527 -0.1090 -0.2921  0.3156
+ 7354TIP3    H123510   6.940   3.990   6.549  0.7069 -1.0608 -2.0339
+ 7354TIP3    H223511   6.799   4.047   6.542  1.1101  0.4048  0.7766
+ 7355TIP3   OH223512   6.111   3.626   5.651 -0.1418  0.4764 -0.5121
+ 7355TIP3    H123513   6.093   3.718   5.635 -0.2844  0.1504 -2.3062
+ 7355TIP3    H223514   6.206   3.619   5.646 -0.2031  0.3284 -1.4845
+ 7356TIP3   OH223515   6.488   3.856   6.906  0.8080 -0.2321  0.0941
+ 7356TIP3    H123516   6.531   3.926   6.956  1.3483 -0.8199  0.4584
+ 7356TIP3    H223517   6.508   3.876   6.815  0.9839  0.0758  0.1991
+ 7357TIP3   OH223518   6.887   6.002   4.931 -0.2576  0.9424  0.1285
+ 7357TIP3    H123519   6.793   6.016   4.937 -0.0308  2.1515  1.1293
+ 7357TIP3    H223520   6.919   6.019   5.020  0.8507  0.1856 -0.1202
+ 7358TIP3   OH223521   6.712   6.261   5.883  0.0613 -0.1072  0.0367
+ 7358TIP3    H123522   6.664   6.327   5.833  1.5638  1.4745  0.6164
+ 7358TIP3    H223523   6.696   6.285   5.974  3.0543  1.3400  0.2450
+ 7359TIP3   OH223524   5.404   2.711   6.690  0.0688  0.4740  0.1042
+ 7359TIP3    H123525   5.456   2.703   6.610  1.2337  1.0714  0.7816
+ 7359TIP3    H223526   5.313   2.711   6.660  0.4341 -1.1096 -1.0505
+ 7360TIP3   OH223527   5.654   6.272   5.693 -0.3136  0.0354 -0.0696
+ 7360TIP3    H123528   5.567   6.288   5.730 -1.1322 -1.0353 -1.4909
+ 7360TIP3    H223529   5.639   6.266   5.598  1.5120  1.2182 -0.4582
+ 7361TIP3   OH223530   4.449   5.797   3.513  0.3859  0.0689  0.3874
+ 7361TIP3    H123531   4.536   5.815   3.478 -0.5565  1.6772 -1.2023
+ 7361TIP3    H223532   4.460   5.717   3.565  2.5461 -0.4396 -0.8041
+ 7362TIP3   OH223533   6.771   4.728   2.689  0.6392  0.0660  0.0401
+ 7362TIP3    H123534   6.703   4.669   2.721 -0.6001  0.8656 -1.0853
+ 7362TIP3    H223535   6.806   4.683   2.612  1.6712 -0.5228  0.8345
+ 7363TIP3   OH223536   0.993   4.880   5.426 -0.4943 -0.9406  0.6312
+ 7363TIP3    H123537   0.946   4.904   5.507  1.2302  0.0948  1.3577
+ 7363TIP3    H223538   1.074   4.839   5.457 -0.0428 -0.9646 -0.5767
+ 7364TIP3   OH223539   4.211   1.283   5.929 -0.0598 -0.1713  0.1553
+ 7364TIP3    H123540   4.232   1.206   5.876  3.2315  1.2170 -0.6827
+ 7364TIP3    H223541   4.155   1.249   5.999  1.2837 -3.3280 -0.2005
+ 7365TIP3   OH223542   5.927   4.216   5.040 -0.6891 -0.6025 -0.1659
+ 7365TIP3    H123543   5.990   4.232   4.971 -0.9706 -0.1042 -0.3109
+ 7365TIP3    H223544   5.848   4.263   5.012 -0.8663 -0.5622  0.3931
+ 7366TIP3   OH223545   1.884   2.518   4.862 -0.5344 -0.3352 -0.4018
+ 7366TIP3    H123546   1.894   2.519   4.767  1.4617 -1.4356 -0.2300
+ 7366TIP3    H223547   1.889   2.425   4.885 -0.1578 -0.0137  0.8562
+ 7367TIP3   OH223548   0.034   6.714   5.003  0.0633  0.1451  0.1925
+ 7367TIP3    H123549   0.006   6.797   5.040 -0.5086 -1.3052  3.1255
+ 7367TIP3    H223550  -0.008   6.647   5.057 -1.9630 -2.1303 -3.9332
+ 7368TIP3   OH223551   5.093   5.333   3.778  0.4653 -0.4153 -0.2504
+ 7368TIP3    H123552   5.028   5.403   3.788  0.7136 -0.2317  0.0985
+ 7368TIP3    H223553   5.177   5.379   3.782  0.6195 -0.6937 -0.3547
+ 7369TIP3   OH223554   6.607   5.903   2.444  0.4903 -0.1804 -0.1024
+ 7369TIP3    H123555   6.627   5.993   2.467  0.8321 -0.4065  0.4792
+ 7369TIP3    H223556   6.543   5.875   2.509 -0.0700 -0.1642 -0.6436
+ 7370TIP3   OH223557   6.773   4.243   6.312 -0.2468 -0.1045 -0.1914
+ 7370TIP3    H123558   6.753   4.336   6.299 -1.0971 -0.5367 -2.1723
+ 7370TIP3    H223559   6.865   4.242   6.335 -1.2109  1.5584  4.2369
+ 7371TIP3   OH223560   1.504   4.507   3.667  0.4842 -0.1853 -0.2274
+ 7371TIP3    H123561   1.568   4.534   3.601 -0.6673  1.2365 -0.7897
+ 7371TIP3    H223562   1.419   4.524   3.626 -0.2426 -0.2650  1.2319
+ 7372TIP3   OH223563   5.859   3.262   2.754 -0.1315  0.0389 -0.0235
+ 7372TIP3    H123564   5.863   3.176   2.711 -0.9900 -0.4238  0.8123
+ 7372TIP3    H223565   5.945   3.271   2.795  0.4559  0.1901 -1.2617
+ 7373TIP3   OH223566   4.403   5.431   3.893  0.1123  0.5885  0.1250
+ 7373TIP3    H123567   4.454   5.370   3.840  2.3747  2.6996 -0.2138
+ 7373TIP3    H223568   4.459   5.449   3.968 -1.2054  1.0493  0.9998
+ 7374TIP3   OH223569   6.441   3.993   4.900 -0.1217 -0.1070 -0.3506
+ 7374TIP3    H123570   6.419   4.005   4.807  1.4993  0.4228 -0.6783
+ 7374TIP3    H223571   6.417   3.902   4.919  1.0998 -0.7473 -1.7488
+ 7375TIP3   OH223572   0.951   4.471   6.524  0.2043  0.8636  0.5601
+ 7375TIP3    H123573   1.006   4.528   6.577 -0.4227  2.0000 -0.0034
+ 7375TIP3    H223574   0.988   4.476   6.436 -0.6924  1.5180  0.2097
+ 7376TIP3   OH223575   6.651   3.135   5.334  0.3783 -0.3401  0.8411
+ 7376TIP3    H123576   6.744   3.158   5.333  0.3342 -0.1549  0.8927
+ 7376TIP3    H223577   6.613   3.193   5.400  0.5507 -1.7001  2.1685
+ 7377TIP3   OH223578   5.342   5.656   5.423  0.5812  0.0767  0.3156
+ 7377TIP3    H123579   5.290   5.575   5.425  1.6574 -0.6144  1.8974
+ 7377TIP3    H223580   5.416   5.636   5.365 -0.9244  1.0962 -2.0213
+ 7378TIP3   OH223581   5.160   2.810   6.592 -0.5679 -0.0062 -0.0870
+ 7378TIP3    H123582   5.091   2.757   6.553  0.3145  0.3238 -2.1661
+ 7378TIP3    H223583   5.221   2.826   6.520  0.8859  0.9907  1.3453
+ 7379TIP3   OH223584   6.065   3.976   6.152 -0.4059 -0.2700  0.5468
+ 7379TIP3    H123585   6.071   3.926   6.071 -0.5017 -0.1905  0.4910
+ 7379TIP3    H223586   6.150   3.964   6.194  0.2192  1.0053 -0.3311
+ 7380TIP3   OH223587   6.252   4.010   5.390 -0.0790 -0.1473 -0.2745
+ 7380TIP3    H123588   6.227   4.069   5.319 -0.2788  1.0938  0.8040
+ 7380TIP3    H223589   6.314   4.060   5.443 -0.4029 -0.8142  0.7627
+ 7381TIP3   OH223590   3.629   4.617   5.169 -0.1148  0.0722 -0.7922
+ 7381TIP3    H123591   3.603   4.586   5.082  0.8929 -1.8211 -0.4378
+ 7381TIP3    H223592   3.634   4.538   5.223  0.5949  1.0678  0.6492
+ 7382TIP3   OH223593   0.056   5.381   5.896  0.6004  0.0106 -0.8647
+ 7382TIP3    H123594   0.097   5.354   5.814  0.4815  0.1140 -0.9582
+ 7382TIP3    H223595   0.072   5.475   5.901  1.2049 -0.1088 -0.4358
+ 7383TIP3   OH223596   5.662   5.388   1.836 -0.4214  0.2437  0.4205
+ 7383TIP3    H123597   5.724   5.373   1.764  0.0084  1.5963  0.4939
+ 7383TIP3    H223598   5.695   5.333   1.907 -0.7850 -1.0248 -0.3671
+ 7384TIP3   OH223599   4.980   3.361   4.672 -0.5790  0.3363 -0.3371
+ 7384TIP3    H123600   4.893   3.399   4.681 -0.6177  0.4309 -1.0903
+ 7384TIP3    H223601   5.040   3.435   4.685 -0.6220  0.3734 -0.3501
+ 7385TIP3   OH223602   5.030   0.242   3.676  0.3123 -0.1620 -0.0978
+ 7385TIP3    H123603   5.032   0.320   3.620  0.7151  0.0992  0.2793
+ 7385TIP3    H223604   5.120   0.210   3.675  0.2877 -0.2435  0.2806
+ 7386TIP3   OH223605   0.009   2.456   3.948 -0.2548 -0.3595  0.3021
+ 7386TIP3    H123606   0.034   2.491   3.863  3.7846 -0.1714  1.4755
+ 7386TIP3    H223607   0.037   2.364   3.945 -3.0577 -1.2733  0.3271
+ 7387TIP3   OH223608   5.209   4.515   5.741 -0.1847  0.0959  0.1734
+ 7387TIP3    H123609   5.288   4.479   5.780 -0.4056  1.4384  1.9449
+ 7387TIP3    H223610   5.137   4.469   5.785 -0.4044 -0.3451 -0.6418
+ 7388TIP3   OH223611   6.863   5.379   6.643 -0.0844 -0.2197  0.0141
+ 7388TIP3    H123612   6.805   5.452   6.665 -2.6159 -2.3211  0.4869
+ 7388TIP3    H223613   6.847   5.361   6.551  0.7824  0.0043 -0.1907
+ 7389TIP3   OH223614   0.480   3.834   6.013 -0.2888  0.2348  0.6100
+ 7389TIP3    H123615   0.551   3.853   5.952  0.4136 -0.1499  1.2972
+ 7389TIP3    H223616   0.464   3.917   6.058 -1.7949  0.9157 -1.0693
+ 7390TIP3   OH223617   0.227   5.712   6.602  0.2381 -0.6653  0.7080
+ 7390TIP3    H123618   0.216   5.632   6.550 -0.4658 -0.2715  0.2317
+ 7390TIP3    H223619   0.315   5.742   6.581 -0.0175 -0.5384 -0.2321
+ 7391TIP3   OH223620   3.577   4.462   4.733 -0.1466 -0.4428  0.0868
+ 7391TIP3    H123621   3.602   4.474   4.641  0.6813 -1.0494  0.2263
+ 7391TIP3    H223622   3.609   4.375   4.755 -0.5326 -0.3820  0.8961
+ 7392TIP3   OH223623   5.408   6.641   5.608  0.2479  0.3703 -0.1119
+ 7392TIP3    H123624   5.392   6.627   5.515  1.1992 -1.3466 -0.0249
+ 7392TIP3    H223625   5.501   6.622   5.620  0.3876  1.6419  0.9971
+ 7393TIP3   OH223626   5.579   5.610   5.307 -0.5583  0.3348  0.2784
+ 7393TIP3    H123627   5.558   5.673   5.238 -1.7338 -1.5933 -1.1812
+ 7393TIP3    H223628   5.671   5.587   5.292 -0.5836  0.5214 -0.1641
+ 7394TIP3   OH223629   6.290   6.047   5.451 -0.3994 -0.0203  0.3924
+ 7394TIP3    H123630   6.241   6.115   5.496  0.7431 -0.3991  2.2540
+ 7394TIP3    H223631   6.229   5.973   5.445 -1.3193  0.8220 -0.7671
+ 7395TIP3   OH223632   4.241   3.735   5.353 -0.0998  0.3825  0.1707
+ 7395TIP3    H123633   4.182   3.662   5.336  0.3540 -0.0821  0.5766
+ 7395TIP3    H223634   4.329   3.699   5.339  0.2187  0.3866  1.9343
+ 7396TIP3   OH223635   6.869   4.440  -0.028 -0.2925 -0.0367  0.0977
+ 7396TIP3    H123636   6.818   4.464   0.049 -1.0565  1.1657 -0.7646
+ 7396TIP3    H223637   6.960   4.440   0.002 -0.6782 -0.6330  1.2565
+ 7397TIP3   OH223638   6.866   2.229   0.514 -0.3499  0.1382  0.3213
+ 7397TIP3    H123639   6.872   2.324   0.504  0.3653  0.1359  0.7019
+ 7397TIP3    H223640   6.845   2.215   0.606 -1.9482 -0.0299 -0.0381
+ 7398TIP3   OH223641   6.825   4.362   4.864  0.1315 -0.0703 -0.2282
+ 7398TIP3    H123642   6.777   4.424   4.919 -0.0766 -0.8399  0.4631
+ 7398TIP3    H223643   6.867   4.417   4.797 -1.6667  0.6231 -0.8259
+ 7399TIP3   OH223644   1.609   3.627   4.589 -0.0908  0.7265 -0.2273
+ 7399TIP3    H123645   1.543   3.561   4.609 -0.7261  1.1836 -0.8341
+ 7399TIP3    H223646   1.618   3.625   4.494  3.1162 -1.6160  0.0443
+ 7400TIP3   OH223647   0.212   4.931   6.494  0.3636 -0.5252  0.2755
+ 7400TIP3    H123648   0.203   4.900   6.403 -1.1431  0.1326  0.1831
+ 7400TIP3    H223649   0.225   5.025   6.486 -2.7610  0.0015  0.8209
+ 7401TIP3   OH223650   4.299   5.300   4.275  1.0551  0.6609  0.6961
+ 7401TIP3    H123651   4.311   5.347   4.193 -0.3682  2.1173  1.3099
+ 7401TIP3    H223652   4.389   5.285   4.307  1.5777  1.1661 -0.5035
+ 7402TIP3   OH223653   5.999   0.057   4.829  0.5895  0.5758  0.2439
+ 7402TIP3    H123654   6.055   0.063   4.906 -1.8968  1.6127  2.0170
+ 7402TIP3    H223655   6.050   0.004   4.767  2.9390  0.3524  2.2890
+ 7403TIP3   OH223656   4.596   3.959   4.745  0.0381  0.3125  0.2919
+ 7403TIP3    H123657   4.536   4.020   4.788  0.3876  0.2073  0.9312
+ 7403TIP3    H223658   4.676   4.009   4.730  0.3625 -0.0155  0.9116
+ 7404TIP3   OH223659   6.248   3.351   5.128 -0.3749  0.1702  0.1026
+ 7404TIP3    H123660   6.342   3.341   5.138 -0.2795 -0.3146 -1.2707
+ 7404TIP3    H223661   6.219   3.391   5.210  1.3008  2.1629 -0.2561
+ 7405TIP3   OH223662   6.454   0.314   5.242 -0.2551  0.1144  0.5669
+ 7405TIP3    H123663   6.450   0.218   5.244 -0.9274  0.1535  2.3322
+ 7405TIP3    H223664   6.363   0.340   5.225 -0.3891  0.4370  1.6916
+ 7406TIP3   OH223665   0.677   2.871   3.487  0.2743  0.4686  0.5107
+ 7406TIP3    H123666   0.769   2.847   3.501  0.1692  0.4100  1.1312
+ 7406TIP3    H223667   0.678   2.928   3.410  0.6498 -0.7286 -0.3777
+ 7407TIP3   OH223668   5.308   3.235   4.350 -0.4477 -0.6500  0.3465
+ 7407TIP3    H123669   5.260   3.159   4.318  0.1588 -0.7354 -0.3642
+ 7407TIP3    H223670   5.396   3.226   4.313 -0.3723  0.3896  0.2520
+ 7408TIP3   OH223671   5.806   3.845   3.439  0.0750 -0.4943 -0.6196
+ 7408TIP3    H123672   5.848   3.832   3.525  0.8522  1.8057 -0.6072
+ 7408TIP3    H223673   5.713   3.833   3.456  0.4423 -2.6858 -0.0160
+ 7409TIP3   OH223674   3.936   4.235   5.438 -0.2044  0.2684  0.5072
+ 7409TIP3    H123675   3.845   4.240   5.468 -0.6717 -1.4661 -0.5212
+ 7409TIP3    H223676   3.949   4.142   5.419  1.3788  0.6959 -0.5660
+ 7410TIP3   OH223677   5.663   6.742   6.305  0.6115  0.1958  0.0327
+ 7410TIP3    H123678   5.753   6.775   6.306  0.8687 -0.5018  0.6372
+ 7410TIP3    H223679   5.658   6.689   6.225  2.2213 -3.6700  2.3245
+ 7411TIP3   OH223680   1.417   6.563   3.016 -0.4102 -0.5214  0.7570
+ 7411TIP3    H123681   1.442   6.543   2.926  0.4106 -0.7122  1.0248
+ 7411TIP3    H223682   1.370   6.646   3.010 -0.5234 -0.6319  0.1287
+ 7412TIP3   OH223683   0.198   3.919   5.669  0.3830  0.2059 -0.5075
+ 7412TIP3    H123684   0.288   3.888   5.657 -0.3186 -1.4799 -1.5131
+ 7412TIP3    H223685   0.176   3.892   5.758  1.0213  1.0491 -0.0813
+ 7413TIP3   OH223686   0.340   5.897   5.271 -0.4378 -0.5117  0.3211
+ 7413TIP3    H123687   0.422   5.945   5.256  0.0569 -1.7041 -0.9315
+ 7413TIP3    H223688   0.318   5.915   5.363  2.1429 -1.5362  1.1924
+ 7414TIP3   OH223689   4.387   6.427   6.359  0.0602 -0.4117  0.3663
+ 7414TIP3    H123690   4.464   6.476   6.389 -0.1016  0.1372 -0.0972
+ 7414TIP3    H223691   4.359   6.376   6.435  1.2256 -1.0581  0.3646
+ 7415TIP3   OH223692   6.656   4.501   0.174 -0.0283 -0.6711 -0.4275
+ 7415TIP3    H123693   6.564   4.483   0.158 -0.1117 -0.5567 -0.0899
+ 7415TIP3    H223694   6.677   4.574   0.115  0.1515 -1.4664 -1.3481
+ 7416TIP3   OH223695   6.555   5.810   5.920 -0.1070  0.2943  0.4364
+ 7416TIP3    H123696   6.533   5.834   5.830 -0.2938  0.7091  0.5931
+ 7416TIP3    H223697   6.470   5.791   5.961  0.0237 -0.4880  0.3563
+ 7417TIP3   OH223698   4.543   4.781   4.229 -0.5332  0.8054  0.3136
+ 7417TIP3    H123699   4.600   4.857   4.219 -0.8228  1.0593  0.5728
+ 7417TIP3    H223700   4.504   4.767   4.143  0.0953  0.4925  0.0791
+ 7418TIP3   OH223701   6.863   4.948   5.413 -0.3787  0.0965 -0.1511
+ 7418TIP3    H123702   6.898   4.901   5.489  1.0714  0.6334 -0.4593
+ 7418TIP3    H223703   6.838   5.033   5.447 -0.5473  0.0261 -0.0994
+ 7419TIP3   OH223704   6.671   4.236   3.126 -0.0175 -0.1785 -0.6814
+ 7419TIP3    H123705   6.762   4.236   3.155 -0.4222  0.1459  0.6205
+ 7419TIP3    H223706   6.657   4.323   3.089  0.1089 -0.1218 -0.5967
+ 7420TIP3   OH223707   0.311   3.473   4.837 -0.1923  0.2392 -0.5078
+ 7420TIP3    H123708   0.390   3.527   4.838  0.0269 -0.0887 -0.2691
+ 7420TIP3    H223709   0.340   3.386   4.861 -1.2591  0.9795  3.8519
+ 7421TIP3   OH223710   5.316   5.311   2.475  1.0880  0.0083  0.4623
+ 7421TIP3    H123711   5.361   5.310   2.390  0.8474  1.8444  0.2990
+ 7421TIP3    H223712   5.348   5.390   2.518  0.3234 -0.3014  1.6166
+ 7422TIP3   OH223713   1.164   2.290   3.585 -0.2075  0.5294  0.0792
+ 7422TIP3    H123714   1.127   2.210   3.550  0.8321  0.8823 -1.8877
+ 7422TIP3    H223715   1.196   2.266   3.672 -1.0496 -0.8592  0.0155
+ 7423TIP3   OH223716   5.115   4.368   1.838  0.1166  0.6741  0.1277
+ 7423TIP3    H123717   5.151   4.448   1.799  1.8041  0.3008  0.8970
+ 7423TIP3    H223718   5.189   4.308   1.844 -0.5899 -0.0546  1.9071
+ 7424TIP3   OH223719   6.146   4.302   5.963 -0.0538  0.2064 -0.2406
+ 7424TIP3    H123720   6.139   4.246   5.886  0.1225  0.4643 -0.4434
+ 7424TIP3    H223721   6.064   4.351   5.965 -0.3143 -0.2427  0.0808
+ 7425TIP3   OH223722   1.135   3.741   5.948 -0.3528  0.1406  0.1959
+ 7425TIP3    H123723   1.203   3.780   6.003  1.0833 -0.5899 -0.9924
+ 7425TIP3    H223724   1.163   3.761   5.858 -1.6630 -0.2616 -0.3181
+ 7426TIP3   OH223725   6.022   4.476   5.691  0.9999 -0.4503 -0.2485
+ 7426TIP3    H123726   6.001   4.521   5.773  0.3460  1.3322 -1.3710
+ 7426TIP3    H223727   5.937   4.445   5.659  1.3572 -1.8846  0.1513
+ 7427TIP3   OH223728   0.067   2.516   5.597  0.0370 -0.1723  0.2239
+ 7427TIP3    H123729   0.087   2.610   5.593 -2.8174  0.4396 -0.5613
+ 7427TIP3    H223730  -0.022   2.509   5.563  1.4704 -3.6111 -3.1943
+ 7428TIP3   OH223731   5.141   3.867   6.536  0.1595 -0.3601 -0.0649
+ 7428TIP3    H123732   5.181   3.909   6.459 -1.5718  0.1244 -0.7418
+ 7428TIP3    H223733   5.213   3.824   6.581  1.3422  0.0766 -1.5103
+ 7429TIP3   OH223734   0.426   5.526   5.108 -0.3252 -0.9154 -0.0760
+ 7429TIP3    H123735   0.451   5.435   5.123  0.1175 -1.0169 -1.3223
+ 7429TIP3    H223736   0.336   5.522   5.077 -0.7158 -0.8277  1.0313
+ 7430TIP3   OH223737   1.832   6.725   5.394  0.5747  0.2638  0.3352
+ 7430TIP3    H123738   1.802   6.687   5.312 -0.4095  0.7261  0.4798
+ 7430TIP3    H223739   1.924   6.746   5.378 -0.0375  1.9238 -1.2253
+ 7431TIP3   OH223740   4.552   5.391   4.595  0.1565 -0.1554 -0.1714
+ 7431TIP3    H123741   4.605   5.460   4.555  0.2832 -0.2049 -0.0893
+ 7431TIP3    H223742   4.545   5.323   4.528 -0.8633  0.3980 -0.6488
+ 7432TIP3   OH223743   2.004   6.770   6.431  0.7418 -0.0792 -0.5096
+ 7432TIP3    H123744   2.099   6.765   6.422  0.6982 -0.5949 -0.6960
+ 7432TIP3    H223745   1.988   6.855   6.472  1.2646  0.1374 -0.7516
+ 7433TIP3   OH223746   6.876   4.629   4.236 -0.2175  0.1492  0.1465
+ 7433TIP3    H123747   6.812   4.588   4.294 -0.6488 -0.6295 -0.8722
+ 7433TIP3    H223748   6.917   4.696   4.290 -0.3752 -0.7877  1.4562
+ 7434TIP3   OH223749   6.630   3.954   5.365 -0.8307  0.2147 -0.4889
+ 7434TIP3    H123750   6.582   4.033   5.392 -2.1881 -0.6654 -0.2695
+ 7434TIP3    H223751   6.722   3.977   5.377 -1.1103  2.3682 -2.0764
+ 7435TIP3   OH223752   0.030   3.660   5.526  0.0874  0.0005 -0.0365
+ 7435TIP3    H123753   0.079   3.613   5.594  0.5437 -2.1926 -1.8238
+ 7435TIP3    H223754   0.092   3.723   5.490  0.4167 -0.1363  0.2870
+ 7436TIP3   OH223755   1.978   4.712   3.931 -0.3381  0.2503  0.2173
+ 7436TIP3    H123756   1.966   4.805   3.916  1.6157  0.3905 -0.6847
+ 7436TIP3    H223757   2.061   4.706   3.979 -0.2028 -1.0456 -0.1574
+ 7437TIP3   OH223758   0.051   6.243   3.662  0.0815 -0.1957 -0.2148
+ 7437TIP3    H123759   0.031   6.336   3.657 -0.3609 -0.2637  0.2356
+ 7437TIP3    H223760  -0.014   6.207   3.722 -0.1318 -0.9066 -0.8580
+ 7438TIP3   OH223761   0.370   5.375   3.751 -0.4832 -0.2503 -0.4768
+ 7438TIP3    H123762   0.333   5.286   3.754 -0.4383 -0.2491  0.0669
+ 7438TIP3    H223763   0.430   5.378   3.825 -1.0017  0.4686 -0.0922
+ 7439TIP3   OH223764   6.450   5.661   0.113 -0.7820  0.0595  0.8566
+ 7439TIP3    H123765   6.531   5.705   0.085  0.0087 -0.7331  1.8386
+ 7439TIP3    H223766   6.385   5.732   0.117 -0.1477  0.7027  0.0350
+ 7440TIP3   OH223767   0.627   5.399   5.651  0.3707 -0.2609  0.3761
+ 7440TIP3    H123768   0.549   5.379   5.600 -1.0766 -0.4721  2.5721
+ 7440TIP3    H223769   0.661   5.480   5.614 -0.9515 -0.1247 -0.5630
+ 7441TIP3   OH223770   0.738   6.876   4.520 -0.4019  0.3555 -0.0587
+ 7441TIP3    H123771   0.794   6.885   4.597 -0.9321  0.2778  0.3424
+ 7441TIP3    H223772   0.651   6.899   4.551 -1.2729 -3.0270  0.2746
+ 7442TIP3   OH223773   0.109   1.869   5.550 -0.1297 -0.1909  0.0268
+ 7442TIP3    H123774   0.042   1.903   5.610  0.5228  0.6632  0.2862
+ 7442TIP3    H223775   0.136   1.946   5.499 -1.0266 -1.0063 -1.7253
+ 7443TIP3   OH223776   6.571   4.606   6.110 -0.1367  0.1887 -0.8987
+ 7443TIP3    H123777   6.526   4.532   6.151 -1.5871  1.6690  0.1933
+ 7443TIP3    H223778   6.519   4.683   6.133  1.2601  1.5510 -2.1623
+ 7444TIP3   OH223779   1.693   5.666   0.042 -0.0791 -0.5217  0.3447
+ 7444TIP3    H123780   1.769   5.677   0.099 -0.3940 -0.6553  0.7937
+ 7444TIP3    H223781   1.671   5.573   0.049 -0.6501 -0.3631  0.6855
+ 7445TIP3   OH223782   6.300   6.465   6.114  0.2652 -0.5775  0.2712
+ 7445TIP3    H123783   6.306   6.555   6.083  0.5094 -0.6362  0.1371
+ 7445TIP3    H223784   6.385   6.448   6.155 -0.4335 -0.1584  1.9426
+ 7446TIP3   OH223785   6.390   0.036   5.925  0.9044 -0.7655  0.0613
+ 7446TIP3    H123786   6.429   0.098   5.863  1.0455 -1.5286 -0.6240
+ 7446TIP3    H223787   6.304   0.073   5.945  1.8042  0.7461  1.2994
+ 7447TIP3   OH223788   5.866   6.085   5.670  0.2345  0.0361 -0.5048
+ 7447TIP3    H123789   5.837   6.000   5.636 -0.1232  0.6375 -1.7357
+ 7447TIP3    H223790   5.784   6.130   5.693  0.3904  0.2873 -0.4455
+ 7448TIP3   OH223791   0.378   0.072   1.054 -0.2083  0.3420  1.0549
+ 7448TIP3    H123792   0.469   0.077   1.024 -0.7103 -0.7545 -0.7161
+ 7448TIP3    H223793   0.367   0.148   1.111  0.9611  2.1370 -1.0524
+ 7449TIP3   OH223794   0.338   3.523   5.124  0.7362  0.0037  0.0199
+ 7449TIP3    H123795   0.268   3.562   5.176  1.1354  1.1938 -0.3138
+ 7449TIP3    H223796   0.295   3.496   5.042  0.1943 -1.4849  0.7914
+ 7450TIP3   OH223797   4.769   1.144   6.687 -0.7078 -0.0282  0.6598
+ 7450TIP3    H123798   4.752   1.238   6.697  0.0481  0.1960 -0.1152
+ 7450TIP3    H223799   4.758   1.128   6.593  0.4533 -0.4638  0.5948
+ 7451TIP3   OH223800   6.172   6.367   6.714 -0.1091 -0.2985  0.2050
+ 7451TIP3    H123801   6.171   6.282   6.758 -1.1965 -1.7578 -2.5153
+ 7451TIP3    H223802   6.083   6.401   6.726 -0.5583 -0.9259 -1.2112
+ 7452TIP3   OH223803   0.821   6.681   6.108  0.4593 -0.1127  0.3607
+ 7452TIP3    H123804   0.894   6.735   6.078 -0.0473  2.0043  2.7011
+ 7452TIP3    H223805   0.754   6.691   6.040  2.0512 -1.4609 -1.4173
+ 7453TIP3   OH223806   6.879   6.830   3.371 -0.1354  0.7740 -0.4525
+ 7453TIP3    H123807   6.865   6.750   3.422  1.8027 -1.1835 -2.8760
+ 7453TIP3    H223808   6.845   6.900   3.427 -1.4973 -1.6706  1.9061
+ 7454TIP3   OH223809   3.454   5.981   0.388  0.0957  0.1200  0.2736
+ 7454TIP3    H123810   3.426   5.959   0.300 -1.1890 -0.1265  0.7441
+ 7454TIP3    H223811   3.542   6.017   0.376 -0.0383  0.0244 -1.0905
+ 7455TIP3   OH223812   3.098   0.984   0.383 -0.4266  1.0888 -0.3856
+ 7455TIP3    H123813   3.078   0.892   0.404 -0.9682  1.0184 -1.1705
+ 7455TIP3    H223814   3.190   0.984   0.359 -0.1756  0.9209  0.5287
+ 7456TIP3   OH223815   6.049   0.537   5.331  0.5995 -0.0722 -0.5524
+ 7456TIP3    H123816   6.030   0.540   5.425  0.2979  1.3326 -0.6521
+ 7456TIP3    H223817   6.064   0.628   5.306  0.0632 -0.3652 -1.9998
+ 7457TIP3   OH223818   0.367   6.590   0.033  0.1149  0.2509 -0.0043
+ 7457TIP3    H123819   0.435   6.528   0.060  0.1144  0.7133  1.0863
+ 7457TIP3    H223820   0.412   6.649  -0.027  0.7554  0.6886  0.8796
+ 7458TIP3   OH223821   5.403   1.568   3.874 -0.7534  0.7958  0.2541
+ 7458TIP3    H123822   5.383   1.629   3.945 -2.0869 -0.0084  0.5803
+ 7458TIP3    H223823   5.411   1.483   3.916 -1.0132  0.3980 -0.4872
+ 7459TIP3   OH223824   1.024   6.149   4.739 -0.3699 -0.0387  0.0817
+ 7459TIP3    H123825   1.059   6.173   4.653  1.4004  1.2088  1.1172
+ 7459TIP3    H223826   0.947   6.204   4.749 -0.3832  0.0708 -0.5575
+ 7460TIP3   OH223827   2.890   0.363   3.836  0.0400 -0.6662  0.4130
+ 7460TIP3    H123828   2.933   0.387   3.754 -1.1853  0.6808  0.1318
+ 7460TIP3    H223829   2.823   0.300   3.811 -1.0508  0.5575  0.2055
+ 7461TIP3   OH223830   5.214   4.982   5.335 -0.2198 -0.5045 -0.6884
+ 7461TIP3    H123831   5.235   5.051   5.272 -2.0871 -0.3375 -1.1602
+ 7461TIP3    H223832   5.219   5.025   5.420 -0.2940 -0.0688 -0.9025
+ 7462TIP3   OH223833   6.330   6.608   5.478  0.2605 -0.3613  0.8257
+ 7462TIP3    H123834   6.372   6.645   5.400 -2.6004 -0.8556 -1.0019
+ 7462TIP3    H223835   6.264   6.673   5.503 -0.4935 -1.3402  1.3901
+ 7463TIP3   OH223836   1.324   3.890   5.405  0.7320 -0.1335  0.6750
+ 7463TIP3    H123837   1.242   3.885   5.354 -0.5182  0.6166  2.5692
+ 7463TIP3    H223838   1.376   3.816   5.373 -0.1995  0.0782 -1.3925
+ 7464TIP3   OH223839   2.009   5.304   0.363 -0.2707  0.7235  0.3377
+ 7464TIP3    H123840   1.998   5.389   0.405 -1.8415 -0.0790  1.5808
+ 7464TIP3    H223841   2.068   5.256   0.421  0.2110  0.7677 -0.1066
+ 7465TIP3   OH223842   0.246   6.437   0.254  0.6307 -0.1398 -0.2916
+ 7465TIP3    H123843   0.172   6.383   0.226 -0.0405  0.2555  0.6951
+ 7465TIP3    H223844   0.275   6.481   0.173  0.1968 -0.7722 -0.8003
+ 7466TIP3   OH223845   2.971   1.369   4.332  0.0767 -0.3323 -0.1894
+ 7466TIP3    H123846   2.998   1.278   4.314  0.0337 -0.4676  0.4245
+ 7466TIP3    H223847   2.920   1.363   4.412 -2.7705 -0.2574 -1.9118
+ 7467TIP3   OH223848   5.857   1.234   2.211  0.1996  1.1068  0.2388
+ 7467TIP3    H123849   5.909   1.228   2.130  1.2899  0.2317  0.9891
+ 7467TIP3    H223850   5.812   1.149   2.217  0.0196  1.2183  0.4869
+ 7468TIP3   OH223851   0.625   4.969   4.057  0.2097 -0.3240 -0.1231
+ 7468TIP3    H123852   0.700   5.014   4.018  1.1466 -1.0962  0.7532
+ 7468TIP3    H223853   0.664   4.895   4.104 -0.9177  0.4177  2.0295
+ 7469TIP3   OH223854   6.361   6.088   6.404  0.0527  1.0897 -0.1080
+ 7469TIP3    H123855   6.358   5.993   6.412  0.7631  1.0058 -0.8418
+ 7469TIP3    H223856   6.378   6.119   6.493  3.1051  0.3788 -0.3859
+ 7470TIP3   OH223857   1.282   0.931   4.548 -0.0451  0.4096 -0.1825
+ 7470TIP3    H123858   1.257   1.015   4.511  0.7075  0.4795 -0.5334
+ 7470TIP3    H223859   1.314   0.951   4.636 -0.7303  0.3778  0.0796
+ 7471TIP3   OH223860   6.582   0.172   6.194  0.0134 -0.3284 -0.5008
+ 7471TIP3    H123861   6.549   0.257   6.223  0.8157  0.2151 -1.1405
+ 7471TIP3    H223862   6.547   0.109   6.257 -1.4302  0.3490 -0.6127
+ 7472TIP3   OH223863   2.908   4.209   5.296 -0.3227  0.0505  0.1308
+ 7472TIP3    H123864   2.961   4.246   5.367  0.2374 -0.1769 -0.1678
+ 7472TIP3    H223865   2.921   4.268   5.222 -0.3640 -0.0872  0.0120
+ 7473TIP3   OH223866   6.645   6.149   6.839 -0.2299  0.0017 -0.3936
+ 7473TIP3    H123867   6.732   6.139   6.878 -1.1510 -0.6360  1.5182
+ 7473TIP3    H223868   6.637   6.243   6.822  0.3589  0.2202  0.5370
+ 7474TIP3   OH223869   1.705   6.741   4.033  0.1998 -0.2937  0.6616
+ 7474TIP3    H123870   1.730   6.832   4.020  2.4346 -0.9192  0.1776
+ 7474TIP3    H223871   1.661   6.739   4.118  1.1001  1.0713  1.1735
+ 7475TIP3   OH223872   3.913   5.116   4.489 -0.8570 -0.1414  0.0809
+ 7475TIP3    H123873   3.951   5.034   4.458  0.4577  0.5476 -0.1552
+ 7475TIP3    H223874   3.987   5.166   4.522 -1.6777  0.8810  0.4082
+ 7476TIP3   OH223875   0.082   4.365   4.170 -0.2395 -0.1915  0.3056
+ 7476TIP3    H123876   0.168   4.379   4.129 -0.4215 -1.4574 -0.5193
+ 7476TIP3    H223877   0.029   4.439   4.139 -0.0499 -0.5342 -0.8567
+ 7477TIP3   OH223878   3.493   0.646   6.334  0.3696  0.8006  0.6518
+ 7477TIP3    H123879   3.461   0.583   6.398 -0.1063 -0.4968 -0.8367
+ 7477TIP3    H223880   3.435   0.722   6.343  0.3108  0.6412  1.7343
+ 7478TIP3   OH223881   5.278   5.886   1.885  0.4486 -0.1893 -0.0086
+ 7478TIP3    H123882   5.192   5.851   1.909  0.7461 -0.4357  0.7227
+ 7478TIP3    H223883   5.340   5.834   1.936  1.1424 -1.0391 -1.7228
+ 7479TIP3   OH223884   4.839   4.470   4.250 -0.4948  0.4108 -0.1146
+ 7479TIP3    H123885   4.850   4.548   4.305  0.3404  0.9296 -0.9857
+ 7479TIP3    H223886   4.919   4.467   4.198 -0.9508 -0.4897 -0.7709
+ 7480TIP3   OH223887   0.699   0.353   6.542 -0.8429 -0.3170  0.1227
+ 7480TIP3    H123888   0.719   0.273   6.493  1.1064 -0.4563  1.1045
+ 7480TIP3    H223889   0.726   0.424   6.483  1.2402 -0.4799  0.8214
+ 7481TIP3   OH223890   1.412   0.180   6.515 -0.7260 -0.2961 -0.0550
+ 7481TIP3    H123891   1.329   0.169   6.562  0.2980 -0.4100  1.7778
+ 7481TIP3    H223892   1.441   0.268   6.539  0.6087 -0.9617  0.8324
+ 7482TIP3   OH223893   0.346   6.267   5.681 -0.5241  0.2838  0.1708
+ 7482TIP3    H123894   0.272   6.258   5.622  0.2900 -1.4425 -0.6199
+ 7482TIP3    H223895   0.327   6.206   5.753 -0.2683  0.4636  0.3949
+ 7483TIP3   OH223896   1.197   6.777   6.821  0.1048  0.2907  0.7342
+ 7483TIP3    H123897   1.279   6.790   6.870  1.7838 -1.2597 -1.5781
+ 7483TIP3    H223898   1.204   6.688   6.785 -2.8885 -0.1129  0.9821
+ 7484TIP3   OH223899   6.318   2.243   5.950  0.3548  0.2211 -0.2178
+ 7484TIP3    H123900   6.275   2.262   5.867  1.4362  1.8990 -0.4327
+ 7484TIP3    H223901   6.249   2.209   6.006 -0.6820  0.4012 -1.3669
+ 7485TIP3   OH223902   6.646   0.224   4.520  0.2737  0.2737  0.8728
+ 7485TIP3    H123903   6.711   0.154   4.508  1.4082  1.1777  1.6910
+ 7485TIP3    H223904   6.696   0.297   4.556 -1.0241  1.3128  0.5872
+ 7486TIP3   OH223905   0.498   6.307   0.326 -0.0274  0.1008  0.3997
+ 7486TIP3    H123906   0.520   6.281   0.237  1.1932  0.2879  0.6302
+ 7486TIP3    H223907   0.411   6.345   0.320  0.7968  1.8128 -1.0385
+ 7487TIP3   OH223908   6.234   0.852   5.251  0.4751  0.1434  0.2685
+ 7487TIP3    H123909   6.202   0.889   5.168 -1.9921 -0.1115  1.0904
+ 7487TIP3    H223910   6.325   0.828   5.232 -0.5479 -1.5030 -2.8854
+ 7488TIP3   OH223911   1.420   4.455   4.376  0.4292 -0.1263 -0.0512
+ 7488TIP3    H123912   1.477   4.440   4.301  1.4535 -0.3283  0.7519
+ 7488TIP3    H223913   1.476   4.438   4.452 -0.4409  0.5866  0.7602
+ 7489TIP3   OH223914   3.677   4.649   1.192 -0.1648  0.1937 -0.4516
+ 7489TIP3    H123915   3.661   4.624   1.101 -1.1809  1.2825 -0.5977
+ 7489TIP3    H223916   3.708   4.740   1.187  0.9001 -0.1229  0.2144
+ 7490TIP3   OH223917   1.154   1.859   5.499  0.1166 -0.0022  0.2674
+ 7490TIP3    H123918   1.186   1.875   5.588  0.0680 -0.3581  0.3501
+ 7490TIP3    H223919   1.060   1.846   5.509 -0.5723  3.9142 -0.3231
+ 7491TIP3   OH223920   1.153   1.688   2.767  0.2190  0.9592  0.1388
+ 7491TIP3    H123921   1.137   1.686   2.673  2.1517  3.2953 -0.2860
+ 7491TIP3    H223922   1.066   1.701   2.806 -0.4263  1.2658 -1.3771
+ 7492TIP3   OH223923   6.484   6.338   6.334 -0.8239 -0.2041 -0.2613
+ 7492TIP3    H123924   6.431   6.389   6.394 -3.2013 -2.1494 -0.6238
+ 7492TIP3    H223925   6.448   6.250   6.339 -0.8205 -0.5179 -4.1742
+ 7493TIP3   OH223926   0.229   1.729   4.122  0.3379 -0.4823  0.4903
+ 7493TIP3    H123927   0.220   1.635   4.139 -0.2818 -0.4154  0.5400
+ 7493TIP3    H223928   0.246   1.767   4.208 -2.2184 -0.2159  0.9209
+ 7494TIP3   OH223929   1.188   6.368   0.070  0.2618 -0.0170 -0.1820
+ 7494TIP3    H123930   1.261   6.411   0.115  0.0981  0.6849 -0.5778
+ 7494TIP3    H223931   1.120   6.436   0.064 -0.7997 -0.9420  1.0546
+ 7495TIP3   OH223932   1.403   1.081   3.404  0.0174  0.4579 -0.0577
+ 7495TIP3    H123933   1.448   1.109   3.484 -0.0992  0.2717  0.0736
+ 7495TIP3    H223934   1.472   1.045   3.349 -0.1818 -1.1934  0.7439
+ 7496TIP3   OH223935   0.857   6.214   3.996  0.2630  0.0158  0.1613
+ 7496TIP3    H123936   0.890   6.290   3.948 -0.0377  0.8031  1.1849
+ 7496TIP3    H223937   0.775   6.244   4.035 -0.6895 -1.3320 -0.7493
+ 7497TIP3   OH223938   0.091   0.249   5.604  0.4766  0.6995 -0.0577
+ 7497TIP3    H123939   0.073   0.338   5.636  0.0431  1.1777 -1.5809
+ 7497TIP3    H223940   0.136   0.206   5.677  0.4735  2.0936  0.7871
+ 7498TIP3   OH223941   6.849   0.054   5.371 -0.0652  0.1657  0.3630
+ 7498TIP3    H123942   6.866   0.041   5.278 -1.4068  2.0248 -0.1619
+ 7498TIP3    H223943   6.933   0.038   5.413  0.8619  0.5538 -1.2899
+ 7499TIP3   OH223944   6.894   0.915   4.670  0.3402  0.0732  0.2017
+ 7499TIP3    H123945   6.829   0.870   4.724  0.7983 -0.9366 -0.0875
+ 7499TIP3    H223946   6.869   0.894   4.580  1.1175 -0.3964  0.0921
+ 7500TIP3   OH223947   0.223   0.157   5.851  0.0375  0.3169  0.6204
+ 7500TIP3    H123948   0.189   0.190   5.935  0.3612  0.6244  0.6347
+ 7500TIP3    H223949   0.318   0.164   5.860  0.1481 -1.2697  0.8803
+ 7501TIP3   OH223950   2.754   0.753   4.236 -0.1521  0.7694  0.5947
+ 7501TIP3    H123951   2.834   0.805   4.243  0.0511  0.4301  0.8318
+ 7501TIP3    H223952   2.746   0.711   4.322 -0.0843  0.0775  0.2668
+ 7502TIP3   OH223953   2.749   1.264   4.547 -0.6780 -0.2559  0.4244
+ 7502TIP3    H123954   2.685   1.290   4.614 -0.3567  0.2184  0.5528
+ 7502TIP3    H223955   2.699   1.211   4.485 -0.8662 -1.1128  1.3017
+ 7503TIP3   OH223956   0.987   0.293   6.394 -0.0125  0.4479  0.2846
+ 7503TIP3    H123957   1.020   0.238   6.323 -2.1475  1.0639 -1.2359
+ 7503TIP3    H223958   1.049   0.366   6.398  0.0007  0.5216 -1.0979
+ 7504TIP3   OH223959   0.712   0.723   4.710  0.0148  0.5315  0.2465
+ 7504TIP3    H123960   0.631   0.772   4.724 -0.1104  0.3272  0.2528
+ 7504TIP3    H223961   0.781   0.789   4.708  0.0681  0.5559  1.9679
+ 7505TIP3   OH223962   0.595   0.112   5.678 -0.1548 -0.1791 -0.1921
+ 7505TIP3    H123963   0.656   0.038   5.673  0.1123  0.0473 -0.3332
+ 7505TIP3    H223964   0.566   0.112   5.769  1.2217  0.6286  0.2638
+ 7506TIP3   OH223965   5.916   5.010   3.209  0.1649 -0.0043  0.6240
+ 7506TIP3    H123966   5.920   4.957   3.289 -1.5955  0.0398  0.7471
+ 7506TIP3    H223967   5.837   4.981   3.164 -0.4883  2.0916  0.3814
+ 7507TIP3   OH223968   0.490   5.097   5.894  0.1208 -0.4585 -0.0078
+ 7507TIP3    H123969   0.500   5.191   5.908 -0.9119 -0.6119  2.0350
+ 7507TIP3    H223970   0.572   5.069   5.853  0.7819  1.1796  0.1682
+ 7508TIP3   OH223971   1.475   6.540   6.249 -0.2196 -0.1706  0.5676
+ 7508TIP3    H123972   1.462   6.611   6.312 -1.7874 -1.4506  1.7240
+ 7508TIP3    H223973   1.566   6.548   6.222  0.1721  1.0573  2.1859
+ 7509TIP3   OH223974   4.977   5.582   4.147  0.1854  0.2102  0.4000
+ 7509TIP3    H123975   4.954   5.539   4.230 -1.0612 -0.6195 -0.3569
+ 7509TIP3    H223976   4.957   5.674   4.163  2.1457  0.4403  1.7731
+ 7510TIP3   OH223977   0.656   5.673   6.093 -0.3417  0.4936 -0.2884
+ 7510TIP3    H123978   0.561   5.679   6.087 -0.3465  0.1097 -0.7094
+ 7510TIP3    H223979   0.671   5.589   6.136 -0.1585 -0.7820 -2.7540
+ 7511TIP3   OH223980   0.821   6.374   0.358  0.0502 -0.5122  0.2540
+ 7511TIP3    H123981   0.806   6.467   0.373  0.2507 -0.4324 -0.0367
+ 7511TIP3    H223982   0.821   6.335   0.446  1.2018 -0.0538  0.4672
+ 7512TIP3   OH223983   6.217   0.461   3.850  0.8018 -0.3435 -0.3596
+ 7512TIP3    H123984   6.225   0.536   3.792  3.1139 -0.3559 -0.1199
+ 7512TIP3    H223985   6.138   0.415   3.820  0.8951  0.6835 -2.2373
+ 7513TIP3   OH223986   0.607   6.283   4.475 -0.6225 -0.7735  0.2791
+ 7513TIP3    H123987   0.594   6.333   4.395 -1.0497 -0.2651  0.6653
+ 7513TIP3    H223988   0.573   6.196   4.455 -4.0613  0.3096  1.0357
+ 7514TIP3   OH223989   0.053   0.074   5.098  0.0980 -0.5486  0.2124
+ 7514TIP3    H123990   0.135   0.050   5.055 -0.0565 -1.6684  0.5279
+ 7514TIP3    H223991   0.066   0.165   5.126  1.1938 -0.6928  0.1745
+ 7515TIP3   OH223992   3.306   6.068   3.395 -0.3885 -0.2876 -0.3269
+ 7515TIP3    H123993   3.362   5.992   3.400  0.2426 -0.0238 -2.7715
+ 7515TIP3    H223994   3.237   6.043   3.333 -2.0694 -0.0276  1.3778
+ 7516TIP3   OH223995   1.627   1.359   6.146 -0.3512  0.3355 -0.1669
+ 7516TIP3    H123996   1.616   1.454   6.153  0.7215  0.4600 -0.0747
+ 7516TIP3    H223997   1.722   1.345   6.152 -0.4933 -0.7347 -0.2640
+ 7517TIP3   OH223998   6.901   5.903   4.490  0.2405 -0.1813 -0.1385
+ 7517TIP3    H123999   6.852   5.972   4.536  0.9764  0.2624 -0.0130
+ 7517TIP3    H224000   6.896   5.827   4.547 -0.0141 -0.0376  0.0322
+ 7518TIP3   OH224001   0.324   6.586   5.917 -0.0949 -0.2320 -0.0632
+ 7518TIP3    H124002   0.278   6.507   5.891  0.8842 -0.6522 -0.5502
+ 7518TIP3    H224003   0.261   6.635   5.971 -2.0100  0.4272 -2.7984
+ 7519TIP3   OH224004   2.235   0.626   6.052 -0.2500 -0.5420  0.2374
+ 7519TIP3    H124005   2.304   0.692   6.043 -2.0015  0.9912 -3.0040
+ 7519TIP3    H224006   2.249   0.566   5.978 -1.5806 -0.9425  0.2882
+ 7520TIP3   OH224007   1.498   6.882   0.604  0.0342 -0.5108 -0.6340
+ 7520TIP3    H124008   1.577   6.833   0.624  0.4330  0.0237 -0.8869
+ 7520TIP3    H224009   1.514   6.920   0.518  0.0855  0.7805 -0.0698
+ 7521TIP3   OH224010   2.056   0.428   3.549  0.1811  0.3078 -0.4086
+ 7521TIP3    H124011   2.009   0.474   3.619  2.8809 -0.3252  1.9082
+ 7521TIP3    H224012   2.093   0.351   3.591  2.2272  0.1184 -2.4399
+ 7522TIP3   OH224013   0.639   0.507   6.246  0.1074  0.2353  0.0860
+ 7522TIP3    H124014   0.705   0.564   6.207  0.5892  0.5051  1.2834
+ 7522TIP3    H224015   0.588   0.564   6.304 -0.7247 -0.1216 -0.2739
+ 7523TIP3   OH224016   2.960   1.361   6.092  0.3728 -0.1412 -0.4125
+ 7523TIP3    H124017   3.019   1.299   6.048 -0.4127 -1.7398  0.7317
+ 7523TIP3    H224018   2.978   1.348   6.185 -1.0628  0.0754 -0.0979
+ 7524TIP3   OH224019   1.738   0.258   0.177 -0.6076  0.1428  0.4147
+ 7524TIP3    H124020   1.816   0.314   0.174  0.1882 -0.8413  2.0614
+ 7524TIP3    H224021   1.665   0.318   0.162  0.3966  1.2475 -0.0991
+ 7525TIP3   OH224022   0.614   5.286   4.614  0.1895 -0.6544 -0.3493
+ 7525TIP3    H124023   0.685   5.309   4.674 -0.1915  0.1127 -0.1881
+ 7525TIP3    H224024   0.602   5.365   4.560 -1.7998 -0.0943  0.8659
+ 7526TIP3   OH224025   0.182   6.223   0.652 -0.7053  0.3045 -0.1774
+ 7526TIP3    H124026   0.249   6.156   0.638 -0.4889  0.7804 -1.4345
+ 7526TIP3    H224027   0.231   6.303   0.669 -0.9624  0.0354  1.9973
+ 7527TIP3   OH224028   3.057   1.718   0.404  0.1583 -0.0209 -0.2607
+ 7527TIP3    H124029   3.125   1.763   0.354  1.0349 -1.2924 -0.2325
+ 7527TIP3    H224030   3.033   1.644   0.349  0.9665 -1.2977  1.0851
+ 7528TIP3   OH224031   2.394   6.181   5.435  0.7020 -1.0641  0.0773
+ 7528TIP3    H124032   2.346   6.181   5.518 -0.6022 -0.9706 -0.6604
+ 7528TIP3    H224033   2.376   6.096   5.396 -1.0495 -0.0637 -1.4089
+ 7529TIP3   OH224034   0.281   6.809   5.062  0.0469 -0.0798 -0.1920
+ 7529TIP3    H124035   0.207   6.749   5.060 -0.3748  0.4245  0.2546
+ 7529TIP3    H224036   0.349   6.761   5.109 -0.2216 -0.2905 -0.0169
+ 7530TIP3   OH224037   0.488   0.471   1.919 -0.1887  0.7322  0.3139
+ 7530TIP3    H124038   0.572   0.487   1.877 -0.9773  1.6466 -0.9352
+ 7530TIP3    H224039   0.484   0.535   1.990  0.9325 -0.5066  1.5493
+ 7531TIP3   OH224040   0.370   4.591   5.986  0.1345  0.2210  0.3034
+ 7531TIP3    H124041   0.332   4.679   5.987 -0.0026  0.1757 -0.7047
+ 7531TIP3    H224042   0.302   4.536   5.946  0.1440 -0.3815  1.1045
+ 7532TIP3   OH224043   5.983   1.352   0.058 -0.2734  0.3747  0.1667
+ 7532TIP3    H124044   6.016   1.442   0.054 -1.4600  0.9236  2.3335
+ 7532TIP3    H224045   5.899   1.358   0.103 -1.0032 -1.6679 -0.8330
+ 7533TIP3   OH224046   0.943   0.079   5.927  0.1516 -0.2574  0.1704
+ 7533TIP3    H124047   0.893   0.033   5.859 -1.7046 -1.2488  2.1511
+ 7533TIP3    H224048   1.025   0.031   5.933  0.3050 -0.2079 -1.3120
+ 7534TIP3   OH224049   5.783   5.294   0.150  0.1478 -0.4450 -0.1060
+ 7534TIP3    H124050   5.747   5.212   0.116  0.1971  0.1052 -1.4782
+ 7534TIP3    H224051   5.759   5.360   0.086  2.2621  0.2068 -0.2743
+ 7535TIP3   OH224052   6.098   6.225   5.578 -0.1803 -0.3188  0.1666
+ 7535TIP3    H124053   6.061   6.261   5.497 -0.4056  0.6893  0.7062
+ 7535TIP3    H224054   6.023   6.215   5.636 -0.2597 -2.5793 -0.2959
+ 7536TIP3   OH224055   2.200   5.703   0.127 -0.0539  0.1887 -0.2473
+ 7536TIP3    H124056   2.205   5.633   0.062  3.0896 -0.7176  0.8639
+ 7536TIP3    H224057   2.109   5.731   0.125 -0.6448 -1.6915 -3.0598
+ 7537TIP3   OH224058   6.415   0.115   4.714 -0.3225 -0.1803 -0.2140
+ 7537TIP3    H124059   6.403   0.100   4.808 -0.3079  1.8245  0.1355
+ 7537TIP3    H224060   6.416   0.211   4.705 -1.2013 -0.3469 -2.3788
+ 7538TIP3   OH224061   0.731   5.378   4.174  0.0601  0.3805 -0.6953
+ 7538TIP3    H124062   0.739   5.437   4.249  0.1630 -1.9287  1.1919
+ 7538TIP3    H224063   0.784   5.418   4.105  0.9231  1.9643  0.8494
+ 7539TIP3   OH224064   2.163   6.868   5.967  0.1008  0.3996 -0.4629
+ 7539TIP3    H124065   2.148   6.791   5.913  0.3604 -2.5507  3.4158
+ 7539TIP3    H224066   2.094   6.864   6.034  0.6836  3.0403  0.3743
+ 7540TIP3   OH224067   1.914   6.200   4.462  0.3124  0.4088 -0.4322
+ 7540TIP3    H124068   1.829   6.210   4.419  0.8422  0.2818 -1.5379
+ 7540TIP3    H224069   1.931   6.105   4.461  0.1127  0.3607  0.4926
+ 7541TIP3   OH224070   6.850   4.426   3.389 -0.6679  0.1508 -0.3467
+ 7541TIP3    H124071   6.925   4.479   3.415  0.3436 -2.1025  1.5460
+ 7541TIP3    H224072   6.877   4.387   3.305 -0.5141  0.8457 -0.6269
+ 7542TIP3   OH224073   0.824   0.397   5.191  0.0648  0.6253 -0.0341
+ 7542TIP3    H124074   0.841   0.307   5.163 -0.7652  0.7994 -1.1232
+ 7542TIP3    H224075   0.900   0.420   5.244  0.3744 -0.6487  0.0973
+ 7543TIP3   OH224076   6.750   1.226   5.311 -1.0209 -0.0303 -0.6028
+ 7543TIP3    H124077   6.824   1.172   5.282 -0.6214  0.2958 -0.2000
+ 7543TIP3    H224078   6.759   1.307   5.261 -0.5508  0.3828  0.1449
+ 7544TIP3   OH224079   1.493   6.478   4.929  0.2677 -0.2005  0.0543
+ 7544TIP3    H124080   1.464   6.404   4.876 -1.2470 -0.6940  1.5471
+ 7544TIP3    H224081   1.572   6.446   4.974  1.0654 -0.0559 -1.2056
+ 7545TIP3   OH224082   1.725   5.979   1.020 -0.8705 -0.4623 -0.3666
+ 7545TIP3    H124083   1.655   5.930   0.977  1.0527 -1.2869 -2.6435
+ 7545TIP3    H224084   1.715   6.069   0.988 -0.3897 -0.7552 -1.3528
+ 7546TIP3   OH224085   0.122   5.410   3.038  0.0971  0.0242 -0.0450
+ 7546TIP3    H124086   0.081   5.325   3.056 -2.0802  0.9248 -0.5981
+ 7546TIP3    H224087   0.211   5.401   3.072 -0.1112 -2.4590 -0.0435
+ 7547TIP3   OH224088   6.933   5.386   5.448  0.4447 -0.8341 -0.1250
+ 7547TIP3    H124089   6.905   5.467   5.405  1.6686 -0.7266 -0.7457
+ 7547TIP3    H224090   6.857   5.328   5.444  0.6062 -0.9073 -2.6482
+ 7548TIP3   OH224091   5.928   0.871   3.375 -0.0309  0.3967 -0.1012
+ 7548TIP3    H124092   5.845   0.907   3.406  0.2591  0.9693  0.0277
+ 7548TIP3    H224093   5.986   0.874   3.451  0.3363  0.7335 -0.3833
+ 7549TIP3   OH224094   1.706   6.609   5.629 -0.1410 -0.0465  0.4649
+ 7549TIP3    H124095   1.747   6.522   5.621  0.2832  0.2284 -0.4226
+ 7549TIP3    H224096   1.737   6.656   5.552 -1.3299  0.5011  0.3288
+ 7550TIP3   OH224097   6.840   1.744   6.376  0.4240 -0.3470 -0.1647
+ 7550TIP3    H124098   6.888   1.722   6.296  1.0582  2.0413 -0.4594
+ 7550TIP3    H224099   6.749   1.721   6.356  0.8825 -1.6874 -0.8121
+ 7551TIP3   OH224100   0.407   5.649   5.573 -0.0123  0.2775 -0.1864
+ 7551TIP3    H124101   0.391   5.655   5.667  0.2214 -0.1192 -0.1187
+ 7551TIP3    H224102   0.320   5.647   5.533 -0.1660 -1.9608  0.1810
+ 7552TIP3   OH224103   0.247   4.682   5.597  0.5156 -0.2755 -0.1518
+ 7552TIP3    H124104   0.195   4.757   5.625  0.3976 -0.6720  0.6993
+ 7552TIP3    H224105   0.192   4.606   5.617  2.2086 -0.8274  2.5957
+ 7553TIP3   OH224106   5.101   0.081   5.162 -0.4006  0.2229 -0.2214
+ 7553TIP3    H124107   5.118   0.146   5.094 -0.4475 -0.8379 -1.2583
+ 7553TIP3    H224108   5.007   0.066   5.158 -0.5461  0.8042  0.6914
+ 7554TIP3   OH224109   4.535   2.988   5.804  0.4027 -0.1945 -0.3271
+ 7554TIP3    H124110   4.484   3.063   5.773  1.2299 -0.2340 -1.8570
+ 7554TIP3    H224111   4.470   2.930   5.844 -0.2854  1.1805  0.6119
+ 7555TIP3   OH224112   1.762   0.465   6.255 -0.4452  0.2059  0.1743
+ 7555TIP3    H124113   1.797   0.537   6.307  0.0901  0.7107 -0.8717
+ 7555TIP3    H224114   1.681   0.440   6.300 -1.1425  2.1153 -0.0126
+ 7556TIP3   OH224115   6.690   6.411   4.028 -0.1855 -0.1060 -0.2223
+ 7556TIP3    H124116   6.638   6.370   3.959  0.0549 -0.7077 -0.0462
+ 7556TIP3    H224117   6.688   6.505   4.007 -0.8001 -0.1965 -0.5772
+ 7557TIP3   OH224118  -0.013   3.213   5.710 -0.0069  0.7073 -0.0517
+ 7557TIP3    H124119   0.082   3.209   5.709 -0.0707 -1.6973 -2.4636
+ 7557TIP3    H224120  -0.041   3.122   5.704 -2.4686  1.3876  0.5290
+ 7558TIP3   OH224121   6.127   5.935   4.763  0.3285  0.1717 -0.0607
+ 7558TIP3    H124122   6.121   5.840   4.753  0.3200  0.0323  1.1522
+ 7558TIP3    H224123   6.137   5.968   4.674 -1.5567 -0.8251 -0.6732
+ 7559TIP3   OH224124   1.682   5.374   4.676  0.2026  0.2134 -0.2819
+ 7559TIP3    H124125   1.757   5.432   4.676  0.9444 -0.7272  0.2880
+ 7559TIP3    H224126   1.669   5.352   4.584  1.0849 -0.1884 -0.3190
+ 7560TIP3   OH224127   0.829   0.935   0.998 -0.3314  0.0415  0.3581
+ 7560TIP3    H124128   0.877   1.003   0.951  1.5744 -1.3440  0.2441
+ 7560TIP3    H224129   0.745   0.930   0.952  0.4165  0.6539 -1.1365
+ 7561TIP3   OH224130   6.125   6.523   4.670  0.0970  0.6702  0.1393
+ 7561TIP3    H124131   6.184   6.464   4.716  0.5815  0.9953 -0.0676
+ 7561TIP3    H224132   6.037   6.491   4.693  0.3567 -1.8884 -2.2627
+ 7562TIP3   OH224133   0.602   6.042   5.272 -0.0721 -0.1636 -0.0878
+ 7562TIP3    H124134   0.679   6.004   5.230  1.4446  1.1798  1.4008
+ 7562TIP3    H224135   0.629   6.060   5.361 -2.6095 -1.0772  0.9257
+ 7563TIP3   OH224136   2.255   5.758   1.846  0.0349 -0.2205 -0.3888
+ 7563TIP3    H124137   2.266   5.829   1.909 -0.5878 -0.5864  0.1303
+ 7563TIP3    H224138   2.317   5.779   1.775  0.4149  0.4174  0.1314
+ 7564TIP3   OH224139   0.167   5.520   4.997  0.8310 -0.2825  0.5190
+ 7564TIP3    H124140   0.174   5.542   4.904  0.3181 -1.1236  0.2786
+ 7564TIP3    H224141   0.141   5.602   5.039  2.9239  0.5862  0.1986
+ 7565TIP3   OH224142   0.188   0.161   3.666  0.3370 -0.4791  0.0471
+ 7565TIP3    H124143   0.196   0.197   3.578 -1.6023 -1.4847 -0.5625
+ 7565TIP3    H224144   0.225   0.228   3.723 -0.3912  1.1123 -1.3288
+ 7566TIP3   OH224145   6.453   5.887   4.454 -0.7232 -0.3978 -0.3274
+ 7566TIP3    H124146   6.442   5.910   4.362 -0.3700 -2.1944 -0.8368
+ 7566TIP3    H224147   6.407   5.957   4.502  1.6332  2.2125 -1.7067
+ 7567TIP3   OH224148   0.015   5.664   3.862 -0.2215  0.4494  0.1017
+ 7567TIP3    H124149   0.066   5.728   3.812  0.5196 -0.7644 -0.7111
+ 7567TIP3    H224150   0.076   5.628   3.925 -0.3533 -0.2555 -0.1730
+ 7568TIP3   OH224151   6.447   6.200   6.654  0.5359  0.5092 -0.4283
+ 7568TIP3    H124152   6.521   6.167   6.706 -0.5826  1.7640  2.0268
+ 7568TIP3    H224153   6.370   6.161   6.694 -0.2383 -0.0636 -2.4191
+ 7569TIP3   OH224154   6.063   5.737   4.396  0.3193  0.4894 -0.8671
+ 7569TIP3    H124155   6.136   5.679   4.418  0.4401  0.6464 -0.8482
+ 7569TIP3    H224156   6.006   5.684   4.340 -0.0952  0.0227 -0.0127
+ 7570TIP3   OH224157   0.367   5.083   6.769 -0.0989  0.2571 -0.7614
+ 7570TIP3    H124158   0.322   5.154   6.724  0.7102  0.9345 -0.5253
+ 7570TIP3    H224159   0.309   5.060   6.842 -0.5320  0.4307 -1.0515
+ 7571TIP3   OH224160   5.310   5.589   0.926  0.2180  0.6785 -0.1793
+ 7571TIP3    H124161   5.216   5.594   0.944  0.6591 -0.0982  2.5877
+ 7571TIP3    H224162   5.331   5.496   0.933  1.1538  0.8059 -1.1096
+ 7572TIP3   OH224163   6.801   6.637   6.312 -0.0008  0.1072  0.0339
+ 7572TIP3    H124164   6.890   6.604   6.323 -0.1268  0.0415  0.9389
+ 7572TIP3    H224165   6.810   6.712   6.253  0.3926 -1.0676 -1.3952
+ 7573TIP3   OH224166   2.912   5.871   4.573 -0.1071  0.1427  0.6002
+ 7573TIP3    H124167   2.930   5.781   4.600 -0.5627 -0.3722 -0.7753
+ 7573TIP3    H224168   2.876   5.863   4.485 -0.6721  1.6376  0.6797
+ 7574TIP3   OH224169   1.862   0.666   3.157  0.0003  0.0510 -0.4101
+ 7574TIP3    H124170   1.804   0.628   3.224  0.1328 -3.0402 -1.9754
+ 7574TIP3    H224171   1.949   0.630   3.178  0.1420 -0.4909 -1.8884
+ 7575TIP3   OH224172   6.449   5.453   5.845 -0.1091 -0.1279 -0.3312
+ 7575TIP3    H124173   6.393   5.459   5.768 -1.1052  0.2887  0.4090
+ 7575TIP3    H224174   6.482   5.363   5.844 -0.0564 -0.0990 -1.2754
+ 7576TIP3   OH224175   6.776   1.228   4.497 -0.3976 -0.1477 -0.0971
+ 7576TIP3    H124176   6.814   1.258   4.415  0.5062 -0.2432  0.2829
+ 7576TIP3    H224177   6.704   1.170   4.471 -0.3819  0.1547 -0.8130
+ 7577TIP3   OH224178   1.748   6.582   4.681 -0.0559  0.0155 -0.0828
+ 7577TIP3    H124179   1.816   6.646   4.657  0.9711 -1.6337 -1.6854
+ 7577TIP3    H224180   1.794   6.515   4.731 -0.9656  0.0277  0.8012
+ 7578TIP3   OH224181   6.718   5.666   6.128  0.4606 -0.0505 -0.7265
+ 7578TIP3    H124182   6.633   5.686   6.166  1.0042  0.2809  0.3196
+ 7578TIP3    H224183   6.714   5.703   6.040 -1.0410 -1.4054 -1.2658
+ 7579TIP3   OH224184   1.015   5.447   4.594  0.4305  0.2225 -0.1912
+ 7579TIP3    H124185   1.083   5.514   4.597 -0.1617  0.7950  0.3889
+ 7579TIP3    H224186   0.995   5.429   4.685  0.8570 -1.0298 -0.3291
+ 7580TIP3   OH224187   3.308   5.829   5.691  0.0244 -0.1208  0.1350
+ 7580TIP3    H124188   3.343   5.804   5.776  0.9198 -0.3179 -0.2850
+ 7580TIP3    H224189   3.310   5.749   5.639 -0.8891 -0.0955  0.0418
+ 7581TIP3   OH224190   1.386   0.736   5.009 -0.3332 -0.5621  0.2188
+ 7581TIP3    H124191   1.427   0.807   5.058  0.4864 -1.1797  0.4353
+ 7581TIP3    H224192   1.358   0.777   4.927 -0.8455  0.2541  0.7923
+ 7582TIP3   OH224193   3.959   4.789   3.592 -0.1968  0.0620  0.1416
+ 7582TIP3    H124194   3.866   4.778   3.574 -0.9029  1.0851  2.8928
+ 7582TIP3    H224195   3.970   4.882   3.610  1.3781 -0.0351 -0.1932
+ 7583TIP3   OH224196   2.877   0.815   6.448 -0.3654 -0.0330 -0.1696
+ 7583TIP3    H124197   2.933   0.759   6.502  0.8788  1.6238  0.3276
+ 7583TIP3    H224198   2.938   0.861   6.390 -1.7152 -2.0187 -3.2491
+ 7584TIP3   OH224199   1.597   4.996   5.124  0.2039  0.6068 -0.6279
+ 7584TIP3    H124200   1.646   5.041   5.193 -0.7913 -1.3416  1.3989
+ 7584TIP3    H224201   1.539   5.064   5.089  0.0091  1.4076  1.1574
+ 7585TIP3   OH224202   2.234   5.850   5.602  0.1168  0.2206  0.0686
+ 7585TIP3    H124203   2.281   5.796   5.666 -0.3134 -0.7279 -0.4175
+ 7585TIP3    H224204   2.183   5.911   5.656  0.6551  0.2038  0.6153
+ 7586TIP3   OH224205   6.640   5.688   3.857 -0.2351 -0.4709  0.1957
+ 7586TIP3    H124206   6.622   5.639   3.937 -1.5006 -2.5382 -1.2862
+ 7586TIP3    H224207   6.732   5.670   3.837  0.2077  0.4145  1.3977
+ 7587TIP3   OH224208   2.600   6.902   4.115 -0.0701  0.1895  0.3442
+ 7587TIP3    H124209   2.554   6.830   4.158 -0.1306 -0.8245 -1.3446
+ 7587TIP3    H224210   2.640   6.952   4.186  0.3098 -1.7531  1.5419
+ 7588TIP3   OH224211   1.671   5.749   4.046 -0.1527 -0.1021  0.4224
+ 7588TIP3    H124212   1.592   5.750   4.100 -0.3566 -1.4985  0.1688
+ 7588TIP3    H224213   1.646   5.699   3.968  0.4407  1.0288 -0.5051
+ 7589TIP3   OH224214   0.379   6.514   5.603 -0.0626 -0.1851  0.7568
+ 7589TIP3    H124215   0.301   6.568   5.617 -0.6268 -1.2140  1.6342
+ 7589TIP3    H224216   0.360   6.432   5.647  1.2456 -0.7093  0.3791
+ 7590TIP3   OH224217   2.706   6.016   4.925  0.1382 -0.4402 -0.3933
+ 7590TIP3    H124218   2.675   5.954   4.859 -0.4086 -2.1208  1.3729
+ 7590TIP3    H224219   2.656   5.994   5.004  2.1618  0.1962  1.1183
+ 7591TIP3   OH224220   1.199   6.229   4.461  0.0233 -0.4179  0.0772
+ 7591TIP3    H124221   1.123   6.185   4.424 -1.3715  0.9754  1.2028
+ 7591TIP3    H224222   1.202   6.314   4.417  0.1475  0.0493  0.9682
+ 7592TIP3   OH224223   3.704   5.156   4.079  0.4503  0.1833 -0.3070
+ 7592TIP3    H124224   3.700   5.078   4.134 -1.6072  0.5966  0.1779
+ 7592TIP3    H224225   3.746   5.222   4.135  0.6466 -0.1010 -0.1163
+ 7593TIP3   OH224226   3.556   6.748   3.381  0.1669  0.3996  0.0120
+ 7593TIP3    H124227   3.598   6.715   3.301 -0.2315 -0.2701  0.0736
+ 7593TIP3    H224228   3.625   6.747   3.447  0.8181  2.1399 -0.6338
+ 7594TIP3   OH224229   5.056   1.267   5.659 -0.0890  0.3388  0.3135
+ 7594TIP3    H124230   5.117   1.341   5.668  1.2004 -0.1067 -3.6308
+ 7594TIP3    H224231   5.111   1.194   5.630 -2.3705 -0.1814 -3.0015
+ 7595TIP3   OH224232   2.673   0.836   3.953 -0.3492  0.5174 -0.0084
+ 7595TIP3    H124233   2.684   0.782   3.875  2.4946  1.9908 -0.6699
+ 7595TIP3    H224234   2.730   0.795   4.019 -0.9741  0.6197  0.6021
+ 7596TIP3   OH224235   2.810   6.188   0.306 -0.4627 -0.3421 -0.2098
+ 7596TIP3    H124236   2.781   6.280   0.306  0.4823 -0.0459  0.2816
+ 7596TIP3    H224237   2.731   6.139   0.283 -1.0437  0.5702 -0.2058
+ 7597TIP3   OH224238   2.617   5.527   4.301  0.1603  0.2836 -0.5184
+ 7597TIP3    H124239   2.523   5.545   4.293  0.4174  2.6077  1.0411
+ 7597TIP3    H224240   2.628   5.494   4.390  0.9349  0.9158 -0.3715
+ 7598TIP3   OH224241   0.669   0.321   4.349 -0.6858 -0.2125  0.0112
+ 7598TIP3    H124242   0.725   0.315   4.426 -0.4261 -1.6186 -0.2781
+ 7598TIP3    H224243   0.583   0.292   4.379 -0.2755 -2.0590 -0.5268
+ 7599TIP3   OH224244   2.763   6.356   3.741 -0.0638  0.8118 -0.2585
+ 7599TIP3    H124245   2.773   6.435   3.688 -2.0498  3.0680  2.5927
+ 7599TIP3    H224246   2.840   6.356   3.798 -0.4498  1.1219  0.2663
+ 7600TIP3   OH224247   1.532   6.762   4.673  0.0366  0.4347 -0.2825
+ 7600TIP3    H124248   1.613   6.713   4.686 -0.8731 -1.3180 -1.1784
+ 7600TIP3    H224249   1.477   6.738   4.748 -0.2095  0.5229 -0.4334
+ 7601TIP3   OH224250   4.867   1.461   1.910  0.0677  0.4404 -0.2523
+ 7601TIP3    H124251   4.858   1.370   1.941  0.5876 -0.1337 -1.7505
+ 7601TIP3    H224252   4.779   1.497   1.916 -0.2617 -0.3550 -0.2259
+ 7602TIP3   OH224253   1.374   5.219   5.089 -0.0393  0.2201 -0.0928
+ 7602TIP3    H124254   1.296   5.274   5.090  0.1318  0.4739 -0.5830
+ 7602TIP3    H224255   1.363   5.164   5.011  0.0994  0.0097  0.0370
+ 7603TIP3   OH224256   2.937   0.756   4.885 -0.2123 -0.2582 -0.3968
+ 7603TIP3    H124257   2.885   0.805   4.821 -0.0436  0.2466 -0.1547
+ 7603TIP3    H224258   2.960   0.821   4.951 -0.9070 -0.9113  0.4957
+ 7604TIP3   OH224259   1.782   5.841   5.900  0.2186  0.5215 -0.2710
+ 7604TIP3    H124260   1.845   5.776   5.929 -0.3425  0.9532  1.9726
+ 7604TIP3    H224261   1.701   5.792   5.885 -0.8397  0.9467  3.5507
+ 7605TIP3   OH224262   2.326   5.934   0.950 -0.0913 -0.5399 -0.4241
+ 7605TIP3    H124263   2.294   5.844   0.951  0.1799 -0.6606  2.5209
+ 7605TIP3    H224264   2.312   5.965   1.040  1.6729  1.6844 -0.8789
+ 7606TIP3   OH224265   1.510   6.741   1.314  0.1386  0.3919  0.3446
+ 7606TIP3    H124266   1.416   6.762   1.320 -0.4819 -2.3119  1.0167
+ 7606TIP3    H224267   1.544   6.763   1.401 -0.4457 -1.0376  0.9581
+ 7607TIP3   OH224268   4.649   0.423   3.621 -0.3041  0.4905 -0.2039
+ 7607TIP3    H124269   4.577   0.436   3.561 -0.7900  0.0632  0.2840
+ 7607TIP3    H224270   4.717   0.380   3.569 -0.1802  1.3812 -0.8043
+ 7608TIP3   OH224271   3.465   5.346   4.083  0.1179 -0.5799 -0.3945
+ 7608TIP3    H124272   3.398   5.278   4.091  0.8020 -1.2579 -0.4860
+ 7608TIP3    H224273   3.543   5.301   4.053  0.8644  0.0737  0.5136
+ 7609TIP3   OH224274   4.469   0.953   0.238 -0.2210  0.4561 -0.3355
+ 7609TIP3    H124275   4.484   0.869   0.282 -1.1982  1.3263  1.7048
+ 7609TIP3    H224276   4.533   1.012   0.277  1.5641  0.3290 -2.9120
+ 7610TIP3   OH224277   1.624   6.188   4.352 -0.4263 -0.0378  0.6811
+ 7610TIP3    H124278   1.605   6.139   4.271 -1.3119  0.8993  0.3089
+ 7610TIP3    H224279   1.599   6.128   4.422 -2.7003  0.3099  0.2106
+ 7611TIP3   OH224280   1.618   4.626   3.314  0.2211 -0.0381 -0.2695
+ 7611TIP3    H124281   1.626   4.700   3.375 -3.4608 -1.2720  1.8005
+ 7611TIP3    H224282   1.555   4.656   3.249  1.1179 -0.2430 -1.2529
+ 7612TIP3   OH224283   2.848   5.122   5.505  0.2511 -0.6520  0.5675
+ 7612TIP3    H124284   2.892   5.203   5.476 -0.7974 -0.2384  0.0921
+ 7612TIP3    H224285   2.779   5.108   5.440  0.1400 -1.6930  0.9024
+ 7613TIP3   OH224286   5.674   5.481   4.049 -0.2670  0.2940  0.0773
+ 7613TIP3    H124287   5.700   5.398   4.088 -2.2626 -0.7543 -0.7142
+ 7613TIP3    H224288   5.594   5.460   4.000 -0.4989  2.5651 -0.5754
+ 7614TIP3   OH224289   1.977   4.827   4.709 -0.3127 -0.1934 -0.0357
+ 7614TIP3    H124290   1.935   4.885   4.772 -1.8071 -0.2800 -0.9367
+ 7614TIP3    H224291   1.971   4.740   4.749 -0.8253 -0.1755 -0.0644
+ 7615TIP3   OH224292   5.105   5.468   4.819  0.5410  0.2557 -0.4325
+ 7615TIP3    H124293   5.053   5.504   4.891 -0.2255 -0.0251 -0.8353
+ 7615TIP3    H224294   5.068   5.509   4.741  1.7300  0.9841 -0.6305
+ 7616TIP3   OH224295   1.959   5.454   3.937 -0.1536 -0.1610  0.2482
+ 7616TIP3    H124296   1.977   5.526   3.876  2.0890  0.2935  1.3599
+ 7616TIP3    H224297   1.930   5.382   3.882  0.6251  0.6235 -1.2284
+ 7617TIP3   OH224298   1.438   2.265   1.420  0.1050 -0.0362 -0.5291
+ 7617TIP3    H124299   1.346   2.287   1.410  0.1474 -0.3526 -1.6909
+ 7617TIP3    H224300   1.475   2.337   1.472 -1.0027 -0.4496  0.8569
+ 7618TIP3   OH224301   2.049   0.804   6.491  0.2536  0.1982 -0.1065
+ 7618TIP3    H124302   2.138   0.841   6.500  0.1912  0.3628 -0.1589
+ 7618TIP3    H224303   1.995   0.860   6.547  0.0139  0.6891 -0.8259
+ 7619TIP3   OH224304   1.304   0.684   3.360 -0.2724  0.1015  0.0535
+ 7619TIP3    H124305   1.326   0.682   3.453 -1.6103 -0.4592  0.3659
+ 7619TIP3    H224306   1.261   0.768   3.347  2.1359  1.2801 -0.5976
+ 7620TIP3   OH224307   1.080   5.561   2.130 -0.5528  0.3075 -0.1345
+ 7620TIP3    H124308   1.101   5.485   2.075 -1.7577 -0.4447  0.4330
+ 7620TIP3    H224309   0.992   5.544   2.163 -2.4439  3.7527 -3.0733
+ 7621TIP3   OH224310   2.945   5.473   3.605  0.5741  0.6788 -0.6507
+ 7621TIP3    H124311   3.019   5.514   3.560 -0.0597  1.0234 -1.3871
+ 7621TIP3    H224312   2.949   5.509   3.694  0.2961  2.0113 -1.1580
+ 7622TIP3   OH224313   1.005   5.662   5.109 -0.3478  0.3979  0.4202
+ 7622TIP3    H124314   1.038   5.735   5.160 -0.5044  1.0918 -0.4691
+ 7622TIP3    H224315   0.910   5.676   5.106 -0.1698  1.3564 -1.5721
+ 7623TIP3   OH224316   0.976   0.239   2.936 -0.3733 -0.2139  0.0455
+ 7623TIP3    H124317   0.963   0.185   2.858  0.1107 -1.3481  0.7454
+ 7623TIP3    H224318   1.066   0.272   2.928 -0.3209 -0.3368  0.1228
+ 7624TIP3   OH224319   1.698   0.792   4.933  0.3295 -0.5985  0.4138
+ 7624TIP3    H124320   1.646   0.870   4.955  0.2357 -0.2176 -1.1284
+ 7624TIP3    H224321   1.784   0.826   4.908  0.5657 -1.0532  0.6060
+ 7625TIP3   OH224322   3.812   5.306   3.569 -0.1559 -0.2640 -0.5018
+ 7625TIP3    H124323   3.883   5.244   3.551  0.3912 -0.0301  0.8284
+ 7625TIP3    H224324   3.818   5.323   3.663  0.5594  2.8717 -1.0734
+ 7626TIP3   OH224325   1.150   5.231   2.518 -0.4578 -0.2740  0.4362
+ 7626TIP3    H124326   1.169   5.143   2.486  0.7597  0.5035 -1.0193
+ 7626TIP3    H224327   1.100   5.272   2.448  0.1104  0.6290  0.5520
+ 7627TIP3   OH224328   4.325   5.706   5.136 -0.2094  0.1696 -0.7862
+ 7627TIP3    H124329   4.364   5.642   5.076  0.1933 -0.0543 -0.2888
+ 7627TIP3    H224330   4.399   5.759   5.166 -0.0242 -1.1971  1.3082
+ 7628TIP3   OH224331   2.154   4.710   5.516  0.6200 -0.6844  0.1434
+ 7628TIP3    H124332   2.102   4.640   5.556 -0.5296 -0.1347 -0.3594
+ 7628TIP3    H224333   2.089   4.777   5.491  1.4880 -0.2893 -1.1223
+ 7629TIP3   OH224334   4.761   5.657   5.527  0.6959 -0.1240  0.4994
+ 7629TIP3    H124335   4.688   5.625   5.580  0.2948  1.8777  1.2191
+ 7629TIP3    H224336   4.799   5.728   5.579  0.9409  1.1888 -1.4028
+ 7630TIP3   OH224337   1.454   1.156   2.778 -0.3749 -0.4726  0.5903
+ 7630TIP3    H124338   1.442   1.171   2.684 -1.2051 -0.1407  0.7457
+ 7630TIP3    H224339   1.419   1.234   2.820  0.5279 -0.3653  1.1574
+ 7631TIP3   OH224340   4.860   1.634   5.042  0.3111 -0.0832  0.2459
+ 7631TIP3    H124341   4.851   1.616   4.948 -0.2955  0.5862  0.1700
+ 7631TIP3    H224342   4.900   1.554   5.078 -0.7714 -0.9104 -0.3482
+ 7632TIP3   OH224343   1.619   3.766   5.047 -0.4797  0.5788  0.8830
+ 7632TIP3    H124344   1.569   3.845   5.025  0.1507 -0.0830 -3.4568
+ 7632TIP3    H224345   1.705   3.798   5.072 -1.0330  1.3899  1.7596
+ 7633TIP3   OH224346   2.933   6.163   5.003 -0.4106 -0.1482  0.0965
+ 7633TIP3    H124347   2.849   6.129   4.971 -1.2060  0.8162  1.1279
+ 7633TIP3    H224348   2.965   6.220   4.933 -1.6444  1.1417  0.5675
+ 7634TIP3   OH224349   6.774   0.504   6.211  0.5477 -0.5444 -0.0525
+ 7634TIP3    H124350   6.822   0.584   6.233 -0.3146 -0.2462  0.8158
+ 7634TIP3    H224351   6.715   0.530   6.140  0.0265 -0.3181  0.4600
+ 7635TIP3   OH224352   1.616   0.147   6.323 -0.5555 -0.2072  0.6294
+ 7635TIP3    H124353   1.546   0.147   6.389 -3.0240 -3.9424 -1.8206
+ 7635TIP3    H224354   1.678   0.081   6.354 -0.5241 -0.2776  0.4159
+ 7636TIP3   OH224355   3.161   5.836   4.790  0.3302 -0.3901  0.2927
+ 7636TIP3    H124356   3.210   5.868   4.865  1.9170  0.4997 -1.0926
+ 7636TIP3    H224357   3.070   5.833   4.820  0.2196  4.4530  0.8372
+ 7637TIP3   OH224358   2.938   6.848   4.487  0.1424 -0.1950 -0.3756
+ 7637TIP3    H124359   2.953   6.786   4.416 -1.2055  0.1169 -0.9586
+ 7637TIP3    H224360   2.989   6.925   4.462 -0.4568 -0.0228 -1.1074
+ 7638TIP3   OH224361   3.434   0.056   4.228 -0.0078 -0.3568  0.3177
+ 7638TIP3    H124362   3.474   0.059   4.141  0.8373  1.9456  0.7519
+ 7638TIP3    H224363   3.355   0.109   4.220 -0.0705 -0.3648  0.8858
+ 7639TIP3   OH224364   1.345   0.644   2.706  0.4344 -0.5649 -0.9733
+ 7639TIP3    H124365   1.286   0.719   2.718 -0.6530 -1.2446 -2.0148
+ 7639TIP3    H224366   1.404   0.648   2.781  2.1956  2.9879 -2.4490
+ 7640TIP3   OH224367   2.262   0.042   5.193  0.0789 -0.6305  0.0284
+ 7640TIP3    H124368   2.242   0.091   5.273 -1.5543  0.0576 -0.7673
+ 7640TIP3    H224369   2.346   0.077   5.164  0.1209 -0.0479  0.8275
+ 7641TIP3   OH224370   2.684   0.123   1.337 -0.1792  0.0638 -0.0128
+ 7641TIP3    H124371   2.633   0.185   1.284  2.5150  2.5423  0.1795
+ 7641TIP3    H224372   2.644   0.126   1.424 -1.4715 -0.2049 -0.5878
+ 7642TIP3   OH224373   2.665   6.774   4.783 -0.4237 -0.4394 -0.1712
+ 7642TIP3    H124374   2.620   6.700   4.824 -1.0022  0.8144  1.5440
+ 7642TIP3    H224375   2.646   6.766   4.690 -2.1703 -1.3114  0.2390
+ 7643TIP3   OH224376   1.993   6.237   6.362 -0.4256 -0.7927  0.4626
+ 7643TIP3    H124377   1.943   6.212   6.284  0.8734  0.8355 -0.9387
+ 7643TIP3    H224378   1.941   6.306   6.403 -0.4465 -0.7144  0.3021
+ 7644TIP3   OH224379   3.115   6.015   2.727  0.2052  0.5800 -0.0406
+ 7644TIP3    H124380   3.093   5.922   2.736 -1.3356  0.8533 -0.7757
+ 7644TIP3    H224381   3.211   6.018   2.733  0.2313 -0.9872  0.5170
+ 7645TIP3   OH224382   3.545   0.835   5.309  0.6236  0.1129 -0.4665
+ 7645TIP3    H124383   3.574   0.744   5.316  0.4727  0.0865 -0.1521
+ 7645TIP3    H224384   3.450   0.831   5.321  0.8672  0.5496  1.8591
+ 7646TIP3   OH224385   4.936   0.087   0.494 -0.0126  0.0661 -0.1564
+ 7646TIP3    H124386   4.983   0.005   0.509  0.0528  0.1282 -0.0159
+ 7646TIP3    H224387   4.895   0.107   0.578 -0.0290  0.1754 -0.1899
+ 7647TIP3   OH224388   2.235   4.729   4.242  0.1891  0.1686  0.4793
+ 7647TIP3    H124389   2.144   4.751   4.225  0.3097  0.5445  0.3200
+ 7647TIP3    H224390   2.277   4.812   4.265  0.7820  0.2351 -0.7657
+ 7648TIP3   OH224391   5.692   4.785   4.900  0.0446  0.6364  0.0708
+ 7648TIP3    H124392   5.737   4.716   4.852 -0.4210 -0.6378  1.4332
+ 7648TIP3    H224393   5.740   4.792   4.983  0.6758  2.6239 -0.4357
+ 7649TIP3   OH224394   2.178   6.430   3.812 -0.1074  0.0421  0.0115
+ 7649TIP3    H124395   2.257   6.462   3.855 -0.7047  0.8764  0.4791
+ 7649TIP3    H224396   2.198   6.338   3.792 -0.1410 -0.6257  2.8160
+ 7650TIP3   OH224397   6.737   5.767   5.140 -0.1169  0.0992  0.1063
+ 7650TIP3    H124398   6.768   5.687   5.098  1.4045  0.8907 -0.3610
+ 7650TIP3    H224399   6.777   5.766   5.227 -0.3964  0.1710  0.2370
+ 7651TIP3   OH224400   0.695   0.477   5.693  0.5460 -0.5096 -0.0065
+ 7651TIP3    H124401   0.607   0.479   5.656 -0.1202  2.0079  1.5658
+ 7651TIP3    H224402   0.742   0.547   5.647  1.3990 -1.1557 -0.1215
+ 7652TIP3   OH224403   2.399   6.042   3.545 -1.0380  0.1974  0.3576
+ 7652TIP3    H124404   2.456   6.118   3.538 -0.0924 -0.5429  0.0014
+ 7652TIP3    H224405   2.312   6.076   3.523 -0.5942  1.1310  0.0141
+ 7653TIP3   OH224406   1.217   5.802   4.374 -0.1970  0.7638 -0.1299
+ 7653TIP3    H124407   1.207   5.759   4.459 -1.2896  0.7797 -0.2445
+ 7653TIP3    H224408   1.129   5.804   4.337  0.2274  0.9739 -1.1659
+ 7654TIP3   OH224409   0.746   5.666   5.072 -0.2142 -0.0443 -0.1334
+ 7654TIP3    H124410   0.668   5.694   5.119 -1.1454 -0.7187 -1.2520
+ 7654TIP3    H224411   0.770   5.741   5.017 -0.7618 -0.2417 -0.6497
+ 7655TIP3   OH224412   1.463   6.442   2.771 -0.3129  0.5681 -0.6526
+ 7655TIP3    H124413   1.445   6.351   2.793  1.7935  0.3064  0.0321
+ 7655TIP3    H224414   1.483   6.441   2.677 -0.6635  0.4054 -0.7279
+ 7656TIP3   OH224415   3.294   6.873   5.956 -0.0168  0.1664  0.2040
+ 7656TIP3    H124416   3.227   6.812   5.985  0.9464 -0.9136  0.1874
+ 7656TIP3    H224417   3.257   6.959   5.973 -1.3779 -0.4190  0.2461
+ 7657TIP3   OH224418   1.733   0.178   2.364 -0.0391  1.0745  0.0561
+ 7657TIP3    H124419   1.744   0.091   2.403  1.9626  1.6966  0.9172
+ 7657TIP3    H224420   1.818   0.198   2.324 -0.4282  2.6936 -0.0130
+ 7658TIP3   OH224421   3.630   0.565   5.022  0.5754  0.1045  1.0684
+ 7658TIP3    H124422   3.724   0.564   5.043  1.0556  1.6125 -0.7604
+ 7658TIP3    H224423   3.617   0.650   4.980 -0.6976 -1.7294 -2.4801
+ 7659TIP3   OH224424   0.658   5.628   4.056 -0.4177 -0.1526  0.5734
+ 7659TIP3    H124425   0.703   5.652   3.975  0.5060  0.4231  1.2416
+ 7659TIP3    H224426   0.655   5.710   4.106 -4.2179  0.3758 -0.3745
+ 7660TIP3   OH224427   1.161   5.432   3.805  0.2692 -1.0048  0.3288
+ 7660TIP3    H124428   1.250   5.429   3.842  0.6184 -1.0414 -0.5050
+ 7660TIP3    H224429   1.159   5.360   3.742 -0.3088 -0.9058  0.2320
+ 7661TIP3   OH224430   3.263   6.790   2.647  0.1566  0.1340  0.3448
+ 7661TIP3    H124431   3.320   6.764   2.574  0.2085  2.7425 -0.6095
+ 7661TIP3    H224432   3.294   6.878   2.670  0.3393 -0.7580  3.7437
+ 7662TIP3   OH224433   4.575   6.824   0.161  0.2003 -0.5800  0.7009
+ 7662TIP3    H124434   4.602   6.745   0.114 -0.9364 -0.2333 -0.5290
+ 7662TIP3    H224435   4.653   6.849   0.211  1.1011 -1.5163 -0.2159
+ 7663TIP3   OH224436   4.378   6.805   3.911  0.0317 -0.2568 -0.3807
+ 7663TIP3    H124437   4.469   6.835   3.899  0.7563 -1.3620  1.9557
+ 7663TIP3    H224438   4.378   6.715   3.879  0.0970 -0.6624  0.7154
+ 7664TIP3   OH224439   1.075   6.182   4.161 -0.1614  0.5323 -0.0781
+ 7664TIP3    H124440   1.030   6.208   4.242 -1.3704 -1.1502 -0.2062
+ 7664TIP3    H224441   1.008   6.190   4.093  0.2381 -0.2268 -0.5574
+ 7665TIP3   OH224442   2.282   4.206   5.225  0.2059  0.3019 -0.4290
+ 7665TIP3    H124443   2.288   4.112   5.212  1.1968  0.2492  0.4259
+ 7665TIP3    H224444   2.300   4.220   5.318 -1.1939  1.2189 -0.2778
+ 7666TIP3   OH224445   3.697   4.234   5.220  0.6990  0.2256  0.0325
+ 7666TIP3    H124446   3.756   4.160   5.234 -0.3744 -1.2997 -3.1304
+ 7666TIP3    H224447   3.633   4.203   5.156 -0.4087  3.5450 -0.5799
+ 7667TIP3   OH224448   3.156   5.493   2.867 -0.1788 -0.0610  0.2393
+ 7667TIP3    H124449   3.085   5.428   2.868 -1.6478  1.5216  1.1564
+ 7667TIP3    H224450   3.112   5.576   2.884  1.7200  1.1527 -0.6578
+ 7668TIP3   OH224451   2.197   5.237   6.533  0.6544  0.3042 -0.7361
+ 7668TIP3    H124452   2.280   5.215   6.574  1.5667 -1.2900 -3.3202
+ 7668TIP3    H224453   2.174   5.160   6.481 -3.6865 -0.2339  1.7860
+ 7669TIP3   OH224454   3.505   6.734   6.084 -0.0040 -0.1656 -0.4204
+ 7669TIP3    H124455   3.456   6.754   6.005  1.9527  0.3298 -1.5649
+ 7669TIP3    H224456   3.481   6.803   6.145 -0.3686  0.3387 -1.1235
+ 7670TIP3   OH224457   2.155   5.334   4.328 -0.1977 -0.2964 -0.2361
+ 7670TIP3    H124458   2.145   5.250   4.284 -1.4741 -0.4324  0.2750
+ 7670TIP3    H224459   2.086   5.334   4.394  1.1307  0.2682  1.1848
+ 7671TIP3   OH224460   2.552   0.440   0.049 -0.1631  0.3305 -0.0955
+ 7671TIP3    H124461   2.632   0.461   0.097 -0.2222  0.4792 -0.0633
+ 7671TIP3    H224462   2.561   0.486  -0.035 -0.0106 -0.0169 -0.2722
+ 7672TIP3   OH224463   3.435   6.720   6.473  0.1274 -1.1141  0.4190
+ 7672TIP3    H124464   3.515   6.688   6.515 -1.0674 -0.9572  2.9101
+ 7672TIP3    H224465   3.370   6.652   6.491 -0.8532 -0.2141  0.3242
+ 7673TIP3   OH224466   1.587   4.458   4.587  0.1278  0.1023 -1.4342
+ 7673TIP3    H124467   1.556   4.483   4.674  0.1810 -0.4896 -1.2422
+ 7673TIP3    H224468   1.673   4.500   4.579  0.4464 -0.4368 -0.9090
+ 7674TIP3   OH224469   1.456   3.463   5.423  0.0743 -0.9056 -0.2561
+ 7674TIP3    H124470   1.370   3.434   5.394 -0.7850  0.6133  0.7196
+ 7674TIP3    H224471   1.482   3.529   5.359 -0.0871 -0.3936  0.2029
+ 7675TIP3   OH224472   1.367   5.998   4.505  0.6812 -0.0429  0.3629
+ 7675TIP3    H124473   1.324   5.927   4.457  0.4293  1.2899 -1.4240
+ 7675TIP3    H224474   1.317   6.076   4.482  2.1589  1.0269  0.7270
+ 7676TIP3   OH224475   2.588   5.342   6.319 -0.4602 -0.0173  0.0112
+ 7676TIP3    H124476   2.532   5.392   6.378  0.3330 -0.8561  1.5015
+ 7676TIP3    H224477   2.529   5.277   6.280 -0.9262  0.3558  0.0956
+ 7677TIP3   OH224478   3.345   5.811   3.051  0.4831 -0.5932 -0.4328
+ 7677TIP3    H124479   3.437   5.827   3.070  0.4377 -0.4523 -0.3308
+ 7677TIP3    H224480   3.304   5.898   3.055  0.1570 -0.7918  0.5228
+ 7678TIP3   OH224481   3.443   5.845   3.471 -0.1859 -0.7829 -0.4233
+ 7678TIP3    H124482   3.405   5.811   3.552 -1.0565  0.3725 -0.3348
+ 7678TIP3    H224483   3.507   5.778   3.445  1.0831 -0.5390  1.9282
+ 7679TIP3   OH224484   4.253   0.075   4.776 -0.1778  0.1729 -0.3437
+ 7679TIP3    H124485   4.252   0.106   4.685  1.1041 -2.1530 -1.1970
+ 7679TIP3    H224486   4.303   0.141   4.823 -0.1179  0.9619 -1.4982
+ 7680TIP3   OH224487   5.029   0.042   1.192 -0.3136  0.3737  0.3613
+ 7680TIP3    H124488   5.030  -0.050   1.221 -2.4716  0.9179  2.3175
+ 7680TIP3    H224489   4.968   0.043   1.119  0.7111  0.0352 -0.5114
+ 7681TIP3   OH224490   3.935   6.305   3.544 -0.2990 -0.1547 -0.1608
+ 7681TIP3    H124491   3.979   6.274   3.465  1.3091  0.1713  0.5902
+ 7681TIP3    H224492   4.005   6.344   3.597 -1.5963  0.9816  0.7592
+ 7682TIP3   OH224493   2.779   5.272   6.818  0.0346  0.0331 -0.5154
+ 7682TIP3    H124494   2.837   5.225   6.759 -0.5990  0.3038 -1.3609
+ 7682TIP3    H224495   2.703   5.215   6.828 -1.9235  1.9462 -3.6189
+ 7683TIP3   OH224496   2.547   0.920   4.554  0.0424  0.1757 -0.7685
+ 7683TIP3    H124497   2.500   0.998   4.583 -0.9194 -0.5282 -0.3849
+ 7683TIP3    H224498   2.528   0.913   4.461 -0.7236 -0.1667 -0.5927
+ 7684TIP3   OH224499   3.155   6.476   5.869 -0.5473 -0.3303  1.0339
+ 7684TIP3    H124500   3.171   6.443   5.957 -0.7913 -0.6413  0.9647
+ 7684TIP3    H224501   3.090   6.416   5.833 -0.5202 -0.1461  0.6769
+ 7685TIP3   OH224502   3.982   5.886   6.582  0.1634 -0.4946  0.0824
+ 7685TIP3    H124503   4.030   5.969   6.584 -1.0327  0.2105  1.2862
+ 7685TIP3    H224504   3.907   5.903   6.524 -0.1926 -0.6506  0.4886
+ 7686TIP3   OH224505   2.881   6.676   3.641  0.3359 -0.3556 -0.3078
+ 7686TIP3    H124506   2.954   6.732   3.614  1.2525 -0.7344  1.3483
+ 7686TIP3    H224507   2.837   6.726   3.710  0.6417 -1.3036  0.5747
+ 7687TIP3   OH224508   3.598   4.671   4.488 -0.2013  0.1743 -0.1109
+ 7687TIP3    H124509   3.683   4.639   4.519 -0.0650 -0.5020 -1.1427
+ 7687TIP3    H224510   3.611   4.685   4.394 -1.1209  0.4440 -0.2040
+ 7688TIP3   OH224511   0.873   5.878   5.468  0.0372  0.2262  0.1288
+ 7688TIP3    H124512   0.828   5.949   5.513  0.1303 -1.0188  2.2621
+ 7688TIP3    H224513   0.831   5.798   5.501  1.4496 -0.8087 -0.5165
+ 7689TIP3   OH224514   0.784   4.916   4.630  0.0842 -0.6435  0.0173
+ 7689TIP3    H124515   0.851   4.938   4.565  0.4502 -1.5944  0.0764
+ 7689TIP3    H224516   0.784   4.991   4.689  0.2262 -0.0770 -0.6918
+ 7690TIP3   OH224517   0.209   4.476   6.255 -0.4156  0.1385 -0.4592
+ 7690TIP3    H124518   0.229   4.459   6.163 -0.9842  0.5179 -0.6495
+ 7690TIP3    H224519   0.284   4.439   6.302  0.2346  0.6065 -1.1140
+ 7691TIP3   OH224520   4.494   4.582   4.768 -0.2799 -0.0983  0.6761
+ 7691TIP3    H124521   4.494   4.492   4.734 -3.0461 -0.1650  0.7498
+ 7691TIP3    H224522   4.562   4.582   4.835  0.8025 -1.7156 -0.3927
+ 7692TIP3   OH224523   2.190   6.478   4.114 -0.1924  0.3723 -0.0249
+ 7692TIP3    H124524   2.122   6.413   4.095 -0.3300 -0.3965  2.8348
+ 7692TIP3    H224525   2.144   6.561   4.117 -0.1262  0.5618 -3.0625
+ 7693TIP3   OH224526   2.248   5.368   4.001 -0.1256  0.5991  0.1091
+ 7693TIP3    H124527   2.158   5.352   4.032 -0.0499  1.2548  0.6663
+ 7693TIP3    H224528   2.288   5.420   4.070  0.8954 -0.2476  0.1624
+ 7694TIP3   OH224529   0.904   5.175   4.205 -0.1424  0.2430 -0.0734
+ 7694TIP3    H124530   0.888   5.129   4.122 -0.4052 -0.9716  0.6365
+ 7694TIP3    H224531   0.826   5.230   4.217 -1.2122 -1.3463  0.5135
+ 7695TIP3   OH224532   2.513   6.851   5.636  0.2470  0.0003 -0.0716
+ 7695TIP3    H124533   2.582   6.836   5.701  0.7742 -0.4999 -0.7522
+ 7695TIP3    H224534   2.560   6.864   5.554 -0.4594 -0.1088 -0.4912
+ 7696TIP3   OH224535   3.164   4.606   4.937 -0.5847  0.0078 -0.0568
+ 7696TIP3    H124536   3.188   4.626   5.027 -0.9177  0.3151 -0.0349
+ 7696TIP3    H224537   3.199   4.518   4.922 -1.1387 -0.3299  0.5977
+ 7697TIP3   OH224538   0.758   4.988   3.172  0.0493 -0.0360  0.0817
+ 7697TIP3    H124539   0.674   4.959   3.206  0.8041 -1.0808  1.1407
+ 7697TIP3    H224540   0.737   5.040   3.095 -1.5257 -0.8627 -0.0651
+ 7698TIP3   OH224541   1.956   6.404   3.644 -0.2234  0.5141 -0.3740
+ 7698TIP3    H124542   2.006   6.405   3.562 -0.2033 -0.4874 -0.3843
+ 7698TIP3    H224543   2.022   6.415   3.712 -0.2346  1.3030 -0.4833
+ 7699TIP3   OH224544   2.096   4.680   3.134 -0.2781  0.3378  0.3263
+ 7699TIP3    H124545   2.164   4.726   3.086  1.6049 -1.5845  1.0813
+ 7699TIP3    H224546   2.122   4.688   3.226 -0.2999 -1.5859  0.5175
+ 7700TIP3   OH224547   4.004   4.013   5.105  0.2260 -0.0110 -0.2546
+ 7700TIP3    H124548   3.927   4.025   5.162  0.0285 -2.0101 -0.0675
+ 7700TIP3    H224549   3.975   3.950   5.038  1.7713 -0.9935 -0.0298
+ 7701TIP3   OH224550   4.523   5.108   0.178 -0.5423  0.4138 -0.4861
+ 7701TIP3    H124551   4.576   5.120   0.099 -1.8230 -0.1538 -1.4338
+ 7701TIP3    H224552   4.437   5.143   0.155 -0.8606  0.4355  0.7270
+ 7702TIP3   OH224553   4.633   5.256   3.111  0.2599  0.4994  0.2868
+ 7702TIP3    H124554   4.656   5.171   3.073 -1.3697  0.2121 -0.0929
+ 7702TIP3    H224555   4.556   5.285   3.062 -0.4982  1.1962  1.8182
+ 7703TIP3   OH224556   2.125   5.656   4.664 -0.2704 -0.1724 -0.2056
+ 7703TIP3    H124557   2.106   5.739   4.619 -1.2940 -0.3013 -0.0247
+ 7703TIP3    H224558   2.202   5.675   4.717 -1.2753  1.0553  0.8504
+ 7704TIP3   OH224559   4.424   6.000   3.732 -0.3178  0.0830 -0.4246
+ 7704TIP3    H124560   4.354   6.064   3.742 -0.6226 -0.3456  0.1988
+ 7704TIP3    H224561   4.403   5.955   3.650  0.1889  1.1236 -1.1443
+ 7705TIP3   OH224562   0.844   0.133   5.127 -0.3072 -0.4456 -0.3319
+ 7705TIP3    H124563   0.821   0.050   5.168 -0.2600 -0.1390  0.3197
+ 7705TIP3    H224564   0.792   0.136   5.047  0.7416 -1.7474 -1.0761
+ 7706TIP3   OH224565   4.248   4.802   3.601  0.0736  0.6730  0.2673
+ 7706TIP3    H124566   4.205   4.873   3.648  0.5516  0.1849  1.4727
+ 7706TIP3    H224567   4.278   4.841   3.519  1.6920  2.2779  1.5844
+ 7707TIP3   OH224568   1.450   5.194   1.913  0.5559  0.1743  0.3804
+ 7707TIP3    H124569   1.511   5.145   1.858  0.8381  0.1618  0.7066
+ 7707TIP3    H224570   1.367   5.189   1.866  0.6172 -0.4899  0.3344
+ 7708TIP3   OH224571   3.245   6.170   3.665 -1.0001  0.0739 -0.5092
+ 7708TIP3    H124572   3.259   6.147   3.573 -0.6619  0.2482 -0.5031
+ 7708TIP3    H224573   3.229   6.086   3.709  1.8611 -0.3518 -0.2029
+ 7709TIP3   OH224574   3.993   0.684   2.424 -0.1353 -0.5718  0.1519
+ 7709TIP3    H124575   3.992   0.692   2.328  0.9892  1.0435  0.2554
+ 7709TIP3    H224576   3.939   0.756   2.455  2.9624  1.5727  0.8362
+ 7710TIP3   OH224577   1.330   1.030   6.061 -0.1944  0.1558 -0.0448
+ 7710TIP3    H124578   1.343   1.117   6.099  1.8074  0.4003 -1.2473
+ 7710TIP3    H224579   1.284   0.981   6.129  0.8255  1.4166  1.5874
+ 7711TIP3   OH224580   2.301   4.424   4.807 -0.0507 -0.6553  0.2041
+ 7711TIP3    H124581   2.248   4.382   4.874  0.0194  0.1456  0.7659
+ 7711TIP3    H224582   2.344   4.497   4.852  1.3293 -1.1365 -0.2965
+ 7712TIP3   OH224583   2.016   1.305   4.550 -0.0146 -0.3989  0.0321
+ 7712TIP3    H124584   1.951   1.291   4.481 -0.3884  1.1071  0.0652
+ 7712TIP3    H224585   2.099   1.277   4.511  0.1563  2.5514 -1.8732
+ 7713TIP3   OH224586   4.584   0.977   4.407  0.2733  0.3258  0.6167
+ 7713TIP3    H124587   4.577   1.017   4.493  0.0101  0.8790  0.3427
+ 7713TIP3    H224588   4.587   0.883   4.424  0.9867  0.4709  1.2650
+ 7714TIP3   OH224589   4.390   6.470   5.206  0.7680 -0.4897 -0.1854
+ 7714TIP3    H124590   4.375   6.563   5.191 -2.9125 -1.0906 -0.7254
+ 7714TIP3    H224591   4.422   6.437   5.122  1.3003  0.1297 -0.2291
+ 7715TIP3   OH224592   5.021   0.948   0.193  0.3582  0.4911 -0.3242
+ 7715TIP3    H124593   5.093   0.929   0.132  0.5905  1.9841 -0.5491
+ 7715TIP3    H224594   4.968   1.013   0.147 -0.2920  0.5202  0.4644
+ 7716TIP3   OH224595   3.978   2.919   0.016  0.0002  0.1350  0.1215
+ 7716TIP3    H124596   3.930   2.899   0.096 -2.6829  2.1614 -0.8995
+ 7716TIP3    H224597   4.045   2.982   0.043 -1.6678  1.7385  0.5885
+ 7717TIP3   OH224598   2.422   6.426   3.968 -0.0127 -0.1920 -0.1742
+ 7717TIP3    H124599   2.485   6.428   4.040  0.3245 -0.4703 -0.4614
+ 7717TIP3    H224600   2.337   6.431   4.011  0.2113  0.7558  0.1944
+ 7718TIP3   OH224601   2.314   5.776   4.846  0.1140  0.2184  0.2858
+ 7718TIP3    H124602   2.338   5.868   4.849  0.1947  0.2092 -0.0274
+ 7718TIP3    H224603   2.239   5.768   4.905  0.1878  0.4593  0.4119
+ 7719TIP3   OH224604   5.282   0.570   3.923  0.4345  0.2100 -0.2259
+ 7719TIP3    H124605   5.187   0.557   3.918  0.2752  0.3982  1.8942
+ 7719TIP3    H224606   5.318   0.481   3.925  0.3571  0.1359 -1.5953
+ 7720TIP3   OH224607   5.627   3.954   5.845  0.1435 -0.5604 -0.2290
+ 7720TIP3    H124608   5.587   3.964   5.931 -1.1686  0.3910 -0.9463
+ 7720TIP3    H224609   5.573   3.889   5.800  0.0040 -0.0354 -0.8312
+ 7721TIP3   OH224610   4.619   0.686   5.043 -0.1588  0.0456  0.4011
+ 7721TIP3    H124611   4.652   0.739   4.969 -0.4398 -0.2596  0.0559
+ 7721TIP3    H224612   4.674   0.712   5.117  0.3002  0.1649  0.0213
+ 7722TIP3   OH224613   5.560   4.872   5.624  0.4546 -0.2931  0.2129
+ 7722TIP3    H124614   5.500   4.808   5.663  0.2616  0.5012  1.2568
+ 7722TIP3    H224615   5.540   4.870   5.531 -1.5656  0.3058  0.5895
+ 7723TIP3   OH224616   5.138   5.407   6.521 -0.0540  0.3734  0.3813
+ 7723TIP3    H124617   5.142   5.502   6.535 -0.2800  0.5880 -0.9633
+ 7723TIP3    H224618   5.187   5.393   6.440 -0.1448 -0.6541  0.4963
+ 7724TIP3   OH224619   5.119   4.955   4.610  1.0105  0.1472 -0.3146
+ 7724TIP3    H124620   5.040   4.921   4.651  0.0776 -0.1107 -2.3114
+ 7724TIP3    H224621   5.115   5.050   4.626 -0.2661  0.2812 -1.3566
+ 7725TIP3   OH224622   5.438   5.368   3.896  0.1263  0.3153  0.3420
+ 7725TIP3    H124623   5.389   5.437   3.851 -0.1534 -1.1059 -1.5867
+ 7725TIP3    H224624   5.397   5.287   3.867  0.0729 -0.6851  3.0224
+ 7726TIP3   OH224625   5.329   0.257   6.110  0.4699  0.1991  0.0423
+ 7726TIP3    H124626   5.257   0.195   6.099  1.1253 -0.3250 -1.3298
+ 7726TIP3    H224627   5.395   0.209   6.159 -0.3511  0.8946  1.9062
+ 7727TIP3   OH224628   2.671   0.845   6.228 -0.0054 -0.5346 -0.1376
+ 7727TIP3    H124629   2.756   0.826   6.189  0.4365 -1.0690  1.0428
+ 7727TIP3    H224630   2.662   0.940   6.222 -0.1462 -0.6456 -1.8970
+ 7728TIP3   OH224631   2.713   0.149   5.601  0.1587  0.5718  0.3867
+ 7728TIP3    H124632   2.794   0.199   5.615  1.4243 -1.0132 -1.0215
+ 7728TIP3    H224633   2.713   0.084   5.671  0.2949  0.3291  0.1602
+ 7729TIP3   OH224634   6.451   6.631   4.174 -0.3663 -0.3243  0.4322
+ 7729TIP3    H124635   6.409   6.696   4.118 -3.7491 -2.3973  0.4135
+ 7729TIP3    H224636   6.426   6.656   4.263  0.2997 -0.2561  0.6025
+ 7730TIP3   OH224637   4.887   3.227   5.816  0.5547  0.1651  0.3544
+ 7730TIP3    H124638   4.847   3.300   5.862  0.5187  0.0291  0.5371
+ 7730TIP3    H224639   4.830   3.211   5.741 -0.4043 -0.8151  1.2736
+ 7731TIP3   OH224640   6.773   5.087   6.656 -0.8903 -0.7736 -0.8333
+ 7731TIP3    H124641   6.793   5.176   6.684 -0.0817 -0.8557 -1.1337
+ 7731TIP3    H224642   6.728   5.097   6.573 -2.4610 -0.5697  0.0254
+ 7732TIP3   OH224643   5.185   6.782   4.261  0.0124  0.3883  0.6180
+ 7732TIP3    H124644   5.153   6.693   4.258 -1.2975  0.9042 -1.1776
+ 7732TIP3    H224645   5.220   6.792   4.350  0.2339 -1.9053  0.8005
+ 7733TIP3   OH224646   4.434   6.107   2.867 -0.3082  0.1386  0.4851
+ 7733TIP3    H124647   4.429   6.063   2.782 -0.0725 -0.1817  0.6345
+ 7733TIP3    H224648   4.517   6.076   2.904 -1.2125 -1.0624  1.5702
+ 7734TIP3   OH224649   4.557   4.707   2.718  0.0045  0.8393  0.3348
+ 7734TIP3    H124650   4.462   4.702   2.706 -0.0924  1.4585  0.8178
+ 7734TIP3    H224651   4.570   4.697   2.812  0.3884  1.2236  0.3226
+ 7735TIP3   OH224652   6.860   1.645   4.575  0.9591 -0.3193  0.4238
+ 7735TIP3    H124653   6.870   1.701   4.651  1.9010  0.5704 -0.3450
+ 7735TIP3    H224654   6.948   1.611   4.558  0.6823 -0.8289 -0.0200
+ 7736TIP3   OH224655   4.777   6.088   4.478 -0.5751 -0.1352  0.5111
+ 7736TIP3    H124656   4.735   6.024   4.419 -0.0691  0.4177 -0.4663
+ 7736TIP3    H224657   4.808   6.035   4.551 -2.3289 -0.6587  0.9034
+ 7737TIP3   OH224658   6.126   4.177   0.282  0.0369 -0.4494 -0.1748
+ 7737TIP3    H124659   6.169   4.247   0.332 -0.6201  0.1413 -0.4368
+ 7737TIP3    H224660   6.183   4.163   0.207  0.3332 -0.4113  0.0413
+ 7738TIP3   OH224661   4.814   0.320   5.614  0.0538 -0.2961 -0.7370
+ 7738TIP3    H124662   4.788   0.385   5.679 -1.0430 -0.0822 -1.3712
+ 7738TIP3    H224663   4.853   0.249   5.665 -0.3126  0.1053  0.1075
+ 7739TIP3   OH224664   2.465   5.542   5.304 -0.8661  0.0025 -0.2518
+ 7739TIP3    H124665   2.554   5.539   5.340 -0.2525 -0.2987 -1.7528
+ 7739TIP3    H224666   2.440   5.634   5.308 -0.9559 -0.0763  1.2721
+ 7740TIP3   OH224667   5.051   4.722   5.143 -0.1973  0.5191 -0.1202
+ 7740TIP3    H124668   5.073   4.669   5.066 -2.6397 -4.0793  2.1270
+ 7740TIP3    H224669   5.123   4.707   5.204 -0.3113  0.7813  0.0792
+ 7741TIP3   OH224670   1.941   0.215   5.595 -0.4438  0.2608 -0.2721
+ 7741TIP3    H124671   1.891   0.192   5.673  0.4782  0.8814  0.5090
+ 7741TIP3    H224672   1.882   0.271   5.544 -1.2191 -0.5365 -0.2566
+ 7742TIP3   OH224673   4.363   6.130   5.166  0.2700  0.1603  0.4276
+ 7742TIP3    H124674   4.377   6.118   5.072  0.1091  1.5481  0.2210
+ 7742TIP3    H224675   4.299   6.063   5.189 -0.2363  0.2710 -0.6025
+ 7743TIP3   OH224676   0.642   4.184   4.234 -0.1001  0.2964 -0.3236
+ 7743TIP3    H124677   0.722   4.193   4.182 -0.2966  0.6100 -0.5687
+ 7743TIP3    H224678   0.587   4.257   4.208 -1.3101 -1.0393 -1.6425
+ 7744TIP3   OH224679   2.974   1.355   4.024  0.2799  0.4895 -0.6235
+ 7744TIP3    H124680   3.000   1.330   4.112 -3.1940 -0.4214  0.2063
+ 7744TIP3    H224681   2.929   1.439   4.035 -0.0502  0.4453 -1.5513
+ 7745TIP3   OH224682   3.895   6.549   0.696 -0.2399  0.2345 -0.5445
+ 7745TIP3    H124683   3.803   6.538   0.720 -0.3263 -0.8062 -1.3145
+ 7745TIP3    H224684   3.930   6.460   0.697  1.3028  0.8330  1.8815
+ 7746TIP3   OH224685   4.269   5.035   4.196  0.1213 -0.2015  0.5034
+ 7746TIP3    H124686   4.270   5.127   4.221 -0.1330  0.1868 -0.9035
+ 7746TIP3    H224687   4.239   4.989   4.275  0.9773  0.8346  1.4364
+ 7747TIP3   OH224688   4.981   5.595   5.922 -0.1669  0.5790  0.4994
+ 7747TIP3    H124689   5.017   5.610   6.009 -0.3679  0.8283  0.5390
+ 7747TIP3    H224690   4.906   5.537   5.937  1.5497 -1.8245  0.1892
+ 7748TIP3   OH224691   5.307   5.727   4.643  0.4472 -0.2397 -0.4707
+ 7748TIP3    H124692   5.377   5.739   4.578  2.1105 -0.4813  1.2156
+ 7748TIP3    H224693   5.336   5.653   4.695 -1.3002 -0.5955  0.0172
+ 7749TIP3   OH224694   3.910   6.610   4.883  0.1395  0.2090  0.1132
+ 7749TIP3    H124695   3.868   6.591   4.800  1.1823 -1.5147 -0.0412
+ 7749TIP3    H224696   3.928   6.524   4.922 -0.4108  0.9868  2.1585
+ 7750TIP3   OH224697   4.568   3.681   4.880  0.1662 -0.2739  0.7534
+ 7750TIP3    H124698   4.613   3.683   4.965  0.6555 -0.1513  0.4954
+ 7750TIP3    H224699   4.568   3.772   4.851  0.5257 -0.4008  0.3520
+ 7751TIP3   OH224700   4.198   1.408   5.380  0.3125  0.0336 -0.4330
+ 7751TIP3    H124701   4.108   1.438   5.391  0.0950 -0.2175 -1.4678
+ 7751TIP3    H224702   4.229   1.453   5.301  1.2314  0.4424  0.1508
+ 7752TIP3   OH224703   4.215   0.546   3.959 -0.4736  0.5471  0.4031
+ 7752TIP3    H124704   4.243   0.539   4.050  0.6602 -0.6541 -0.0254
+ 7752TIP3    H224705   4.143   0.608   3.961 -1.5120 -0.6623  2.3568
+ 7753TIP3   OH224706   6.201   4.907   5.827  0.5463 -0.1340  0.0288
+ 7753TIP3    H124707   6.135   4.867   5.771  0.3579  0.4181 -0.1487
+ 7753TIP3    H224708   6.278   4.852   5.817 -0.2718 -1.5192  1.2210
+ 7754TIP3   OH224709   2.358   6.688   0.723 -0.1838 -0.3320  0.0357
+ 7754TIP3    H124710   2.306   6.720   0.797 -1.1019  0.1973 -0.8236
+ 7754TIP3    H224711   2.341   6.751   0.653  0.4450 -0.9881 -0.7131
+ 7755TIP3   OH224712   0.402   5.245   4.803 -0.2000 -0.2460 -0.5978
+ 7755TIP3    H124713   0.437   5.267   4.717  0.1720  1.6894  0.0090
+ 7755TIP3    H224714   0.456   5.295   4.865  0.1176 -2.3015  0.8482
+ 7756TIP3   OH224715   1.288   0.085   3.969 -0.3897  0.0532  0.2013
+ 7756TIP3    H124716   1.335   0.158   3.929 -0.4993 -0.2053 -0.4033
+ 7756TIP3    H224717   1.203   0.084   3.925 -1.9745  2.1180  3.0527
+ 7757TIP3   OH224718   4.191   0.543   5.142  0.2742 -0.0360  0.4341
+ 7757TIP3    H124719   4.171   0.449   5.137 -0.7566  0.2233 -0.2910
+ 7757TIP3    H224720   4.120   0.580   5.194  0.3471  0.4503  0.1882
+ 7758TIP3   OH224721   1.512   1.652   4.363  0.2244  0.6581  0.3158
+ 7758TIP3    H124722   1.544   1.742   4.367  1.5771  0.1163  2.2274
+ 7758TIP3    H224723   1.464   1.640   4.445  0.0038 -0.3303  0.0499
+ 7759TIP3   OH224724   4.160   5.213   4.504 -0.0965 -0.1642  0.3099
+ 7759TIP3    H124725   4.207   5.231   4.423  0.8417  0.8214  1.0571
+ 7759TIP3    H224726   4.221   5.163   4.557  0.6494  2.1879  1.7838
+ 7760TIP3   OH224727   3.299   0.093   5.481  0.7368  0.3625  0.0898
+ 7760TIP3    H124728   3.315   0.174   5.433 -0.4764  0.4285 -0.2142
+ 7760TIP3    H224729   3.355   0.100   5.558  0.7350  1.4408  0.0059
+ 7761TIP3   OH224730   4.775   6.823   4.090 -0.1995 -0.1113 -0.0182
+ 7761TIP3    H124731   4.738   6.816   4.001 -0.9219 -1.6348  0.3839
+ 7761TIP3    H224732   4.781   6.918   4.106 -0.4038  0.1770 -1.5468
+ 7762TIP3   OH224733   5.143   1.058   5.102 -0.2605 -0.1242  0.1080
+ 7762TIP3    H124734   5.221   1.098   5.139 -0.2124 -0.3912  0.2995
+ 7762TIP3    H224735   5.090   1.033   5.178 -1.2021  1.3696 -0.0468
+ 7763TIP3   OH224736   3.729   1.561   4.121 -0.0529  0.2186  0.3068
+ 7763TIP3    H124737   3.677   1.571   4.200  0.2617 -0.2799  0.5813
+ 7763TIP3    H224738   3.738   1.466   4.109 -2.3658  0.2213 -1.8312
+ 7764TIP3   OH224739   6.351  -0.026   3.990  0.0391 -0.1408  0.4112
+ 7764TIP3    H124740   6.439   0.010   3.994  0.6818 -1.4982 -0.9051
+ 7764TIP3    H224741   6.293   0.050   4.000  1.3543  1.0183 -0.6147
+ 7765TIP3   OH224742   6.214   6.649   3.848 -0.0373 -0.3512  0.5045
+ 7765TIP3    H124743   6.176   6.586   3.909 -0.9217 -0.4389 -0.1252
+ 7765TIP3    H224744   6.267   6.707   3.903 -0.5907 -0.6109  1.3181
+ 7766TIP3   OH224745   4.524   6.903   4.571 -0.4204  0.6789  0.1240
+ 7766TIP3    H124746   4.459   6.842   4.536  0.4977 -0.1879 -0.0722
+ 7766TIP3    H224747   4.565   6.941   4.493 -0.0965  0.5937  0.2537
+ 7767TIP3   OH224748   3.639   1.061   5.483 -0.0894  0.1832  0.1619
+ 7767TIP3    H124749   3.659   1.141   5.435  0.3133  0.4224  0.7172
+ 7767TIP3    H224750   3.589   1.007   5.421  0.4448  0.4750 -0.5312
+ 7768TIP3   OH224751   4.566   6.335   3.973 -0.2520 -0.3947 -0.5928
+ 7768TIP3    H124752   4.547   6.241   3.985  1.2824 -0.7773 -0.9935
+ 7768TIP3    H224753   4.635   6.337   3.907  0.6143  0.9484  0.3218
+ 7769TIP3   OH224754   5.459   1.076   5.420 -0.1633  0.0577  0.4460
+ 7769TIP3    H124755   5.490   0.995   5.380 -1.2460 -0.6816  1.1013
+ 7769TIP3    H224756   5.522   1.093   5.491 -0.5425 -0.7807  0.9854
+ 7770TIP3   OH224757   5.075   5.487   4.538  0.3053  0.0843 -0.4977
+ 7770TIP3    H124758   5.108   5.574   4.516  1.3858 -0.1206  0.2208
+ 7770TIP3    H224759   5.024   5.460   4.462 -2.0472  2.3243  0.2345
+ 7771TIP3   OH224760   0.277   0.614   4.789  0.1268 -0.5095  0.1724
+ 7771TIP3    H124761   0.295   0.533   4.742 -1.5542 -0.5291 -0.4780
+ 7771TIP3    H224762   0.295   0.594   4.880  0.5199 -1.3692 -0.0917
+ 7772TIP3   OH224763   0.152   5.847   6.239 -0.0374 -0.2131 -0.0724
+ 7772TIP3    H124764   0.205   5.834   6.161  1.8049  0.3862  1.0362
+ 7772TIP3    H224765   0.172   5.936   6.268 -0.6027 -0.4664  1.1478
+ 7773TIP3   OH224766   6.546   6.451   5.755 -0.1612 -0.4444  0.4863
+ 7773TIP3    H124767   6.474   6.423   5.699  1.3695 -1.4211 -1.0474
+ 7773TIP3    H224768   6.518   6.535   5.790 -1.1389  0.2172 -1.7942
+ 7774TIP3   OH224769   5.929   6.330   5.101 -0.3085  0.3123 -0.3107
+ 7774TIP3    H124770   5.947   6.423   5.106 -0.7326  0.3515  0.6312
+ 7774TIP3    H224771   5.991   6.297   5.036  0.7923  1.0185  0.3579
+ 7775TIP3   OH224772   2.851   0.618   3.976 -0.0226 -0.6136 -0.1139
+ 7775TIP3    H124773   2.854   0.612   4.072  2.9634  2.6484  0.0990
+ 7775TIP3    H224774   2.908   0.547   3.946  0.1812 -0.7397  0.5649
+ 7776TIP3   OH224775   2.294   0.015   0.481  0.2617  0.3325 -0.2145
+ 7776TIP3    H124776   2.230   0.084   0.499 -0.0902 -0.5036  1.7964
+ 7776TIP3    H224777   2.242  -0.055   0.441  0.1413  0.1586  0.2448
+ 7777TIP3   OH224778   1.512   0.367   4.820 -0.1520  0.5996  0.6651
+ 7777TIP3    H124779   1.593   0.351   4.771 -1.6976  0.4530 -1.8862
+ 7777TIP3    H224780   1.468   0.282   4.821 -2.2040  1.5824 -1.5727
+ 7778TIP3   OH224781   3.969   0.436   2.099 -0.4820 -0.3938 -0.6119
+ 7778TIP3    H124782   4.024   0.512   2.116 -1.4239 -0.2085  1.7461
+ 7778TIP3    H224783   3.880   0.471   2.091 -0.7844 -1.1201 -0.5446
+ 7779TIP3   OH224784   4.569   0.462   6.493  0.0222  0.2782  0.2563
+ 7779TIP3    H124785   4.574   0.458   6.398 -1.2792  0.2431  0.1856
+ 7779TIP3    H224786   4.603   0.377   6.522 -0.5551 -0.1169 -0.2176
+ 7780TIP3   OH224787   4.624   0.614   5.412  0.2593  0.2618  0.2242
+ 7780TIP3    H124788   4.703   0.577   5.372  0.0510  1.5080 -1.4134
+ 7780TIP3    H224789   4.575   0.539   5.444 -0.2315 -0.9275 -3.1295
+ 7781TIP3   OH224790   4.676   6.799   3.831 -0.8370  0.8104 -0.1243
+ 7781TIP3    H124791   4.720   6.717   3.805 -3.2073 -0.3200 -0.6665
+ 7781TIP3    H224792   4.725   6.867   3.786  0.7030 -0.3555 -0.2923
+ 7782TIP3   OH224793   1.993   0.749   4.726 -0.1463  0.2389  0.0783
+ 7782TIP3    H124794   2.044   0.830   4.724 -1.0577  0.8100 -1.7529
+ 7782TIP3    H224795   1.947   0.748   4.642  0.2759 -2.4600 -0.1861
+ 7783TIP3   OH224796   2.353   6.655   6.102 -0.0611 -0.1671 -0.1668
+ 7783TIP3    H124797   2.278   6.713   6.120  1.1118  1.5771 -0.7293
+ 7783TIP3    H224798   2.429   6.709   6.123  1.0797 -1.2434 -1.5200
+ 7784TIP3   OH224799   4.028   0.155   5.397 -0.0586  0.0910 -0.4917
+ 7784TIP3    H124800   3.975   0.078   5.416 -0.7213  0.5383 -0.5301
+ 7784TIP3    H224801   3.980   0.229   5.435  1.2310  0.3367  0.7163
+ 7785TIP3   OH224802   6.028   5.973   5.426  0.4091  0.4212  0.2866
+ 7785TIP3    H124803   6.012   6.059   5.386 -0.2111  1.1996  2.1256
+ 7785TIP3    H224804   5.959   5.964   5.492  0.7514 -1.2920  0.4362
+ 7786TIP3   OH224805   5.242   6.484   1.777 -1.0209 -0.3036  0.4031
+ 7786TIP3    H124806   5.316   6.544   1.777 -1.8217  0.7110 -0.3379
+ 7786TIP3    H224807   5.250   6.436   1.859 -0.5006  0.9791  1.1232
+ 7787TIP3   OH224808   2.297   5.740   5.865 -0.4557  0.1181 -0.0789
+ 7787TIP3    H124809   2.262   5.678   5.928 -1.6287 -2.1163 -2.7856
+ 7787TIP3    H224810   2.392   5.731   5.871 -0.5967 -1.1387  0.3714
+ 7788TIP3   OH224811   4.252   6.914   4.130  0.1225  0.6587  0.1320
+ 7788TIP3    H124812   4.303   6.881   4.204 -1.4492 -1.3682  0.3737
+ 7788TIP3    H224813   4.265   6.850   4.061 -3.0463 -0.6528  0.6284
+ 7789TIP3   OH224814   6.334   6.369   4.192  0.4502 -0.3361  0.0799
+ 7789TIP3    H124815   6.379   6.453   4.187  1.4018 -0.8275  0.1635
+ 7789TIP3    H224816   6.252   6.382   4.145  0.8997  0.4365 -0.4942
+ 7790TIP3   OH224817   3.200   5.511   5.310 -0.7090 -0.4828 -0.1013
+ 7790TIP3    H124818   3.284   5.539   5.273 -2.4825  2.1824 -2.2727
+ 7790TIP3    H224819   3.157   5.463   5.240 -1.3590 -1.0899  0.7027
+ 7791TIP3   OH224820   5.254   4.263   4.829 -0.0240  0.3683 -0.2223
+ 7791TIP3    H124821   5.275   4.177   4.795  1.7324  0.9597 -0.6713
+ 7791TIP3    H224822   5.227   4.313   4.752  0.9660  0.8094 -0.2930
+ 7792TIP3   OH224823   5.304   6.803   3.896  0.3960 -0.3514 -0.1753
+ 7792TIP3    H124824   5.366   6.736   3.924  0.2067  0.1954  1.6490
+ 7792TIP3    H224825   5.294   6.789   3.802  4.0487  0.1499 -0.7173
+ 7793TIP3   OH224826   6.526   0.868   5.253 -0.5226  0.0338  0.4330
+ 7793TIP3    H124827   6.536   0.878   5.348  0.1592 -1.6561  0.5569
+ 7793TIP3    H224828   6.610   0.834   5.223 -1.8338 -2.6792 -0.2828
+ 7794TIP3   OH224829   0.834   6.320   5.413  0.1434  0.2667 -0.4064
+ 7794TIP3    H124830   0.879   6.258   5.356  1.2106  0.8936 -0.2555
+ 7794TIP3    H224831   0.904   6.363   5.462 -0.7427 -0.0260  1.1362
+ 7795TIP3   OH224832   2.475   5.925   1.957  0.3664 -0.3977 -0.0658
+ 7795TIP3    H124833   2.537   5.936   2.030 -0.8248  1.5653  0.7050
+ 7795TIP3    H224834   2.460   6.014   1.925 -1.7646 -0.8737 -0.4676
+ 7796TIP3   OH224835   5.500   1.321   3.924 -0.1872  0.7012 -0.5161
+ 7796TIP3    H124836   5.478   1.260   3.854 -1.1172  1.4048 -0.8378
+ 7796TIP3    H224837   5.455   1.286   4.001 -0.5990  0.9111 -0.6650
+ 7797TIP3   OH224838   5.806   0.264   4.432  0.0072 -0.0718  0.1216
+ 7797TIP3    H124839   5.843   0.319   4.501  1.0232 -0.4883 -0.0857
+ 7797TIP3    H224840   5.714   0.290   4.428 -0.1735 -0.3416  1.9320
+ 7798TIP3   OH224841   3.812   1.406   4.661  0.1840  0.2872 -0.2072
+ 7798TIP3    H124842   3.788   1.418   4.753 -1.1736  0.1501 -0.5304
+ 7798TIP3    H224843   3.844   1.316   4.656  1.2154  0.6219  0.3230
+ 7799TIP3   OH224844   4.460   0.119   5.923  1.0417 -0.0714 -0.2605
+ 7799TIP3    H124845   4.508   0.039   5.943  0.9272  0.0877  0.6815
+ 7799TIP3    H224846   4.495   0.148   5.839 -1.3793 -2.9882 -2.3366
+ 7800TIP3   OH224847   2.061   6.224   0.524 -0.3054 -0.3666  0.5322
+ 7800TIP3    H124848   2.084   6.153   0.584  0.4579 -0.9720 -0.4630
+ 7800TIP3    H224849   2.096   6.303   0.566  0.8913 -0.8846  0.5213
+ 7801TIP3   OH224850   5.436   4.127   4.346 -0.1243 -0.5674 -0.2909
+ 7801TIP3    H124851   5.405   4.075   4.272 -1.3266 -1.0282  0.5111
+ 7801TIP3    H224852   5.462   4.063   4.412  0.0485 -0.1623  0.0398
+ 7802TIP3   OH224853   2.764   0.060   6.439  0.5112  0.5825  0.3545
+ 7802TIP3    H124854   2.849   0.037   6.401  0.1883  0.0644 -0.0534
+ 7802TIP3    H224855   2.734   0.136   6.388  1.4355  1.7538  1.5032
+ 7803TIP3   OH224856   4.652   6.131   5.267  0.3755 -0.5086 -0.3170
+ 7803TIP3    H124857   4.659   6.107   5.359 -0.3443  1.7558  0.3577
+ 7803TIP3    H224858   4.558   6.139   5.251  0.5628  0.8354 -0.7850
+ 7804TIP3   OH224859   5.968   6.661   5.159  0.4475 -0.0785  0.0293
+ 7804TIP3    H124860   6.058   6.666   5.192  0.3834  0.1791  0.1693
+ 7804TIP3    H224861   5.915   6.700   5.228  0.2734  0.1453 -0.2294
+ 7805TIP3   OH224862   5.820   2.409   6.258 -0.3963  0.0801  0.1321
+ 7805TIP3    H124863   5.743   2.447   6.301 -1.1813 -0.3334 -0.8988
+ 7805TIP3    H224864   5.829   2.458   6.176 -0.8170 -1.2622 -0.7343
+ 7806TIP3   OH224865   1.975  -0.005   5.174 -0.5289 -0.4195 -0.3152
+ 7806TIP3    H124866   1.997   0.088   5.168 -0.3623 -0.3504  1.2412
+ 7806TIP3    H224867   2.058  -0.049   5.188 -0.8318 -0.6025  0.9788
+ 7807TIP3   OH224868   4.992   0.694   5.687 -0.2940  0.2661 -0.2514
+ 7807TIP3    H124869   4.961   0.702   5.778 -2.7742 -0.2457 -1.0102
+ 7807TIP3    H224870   5.026   0.605   5.681  0.2192  0.4188  0.2469
+ 7808TIP3   OH224871   5.975   5.537   0.248  0.1069  0.6880  0.7267
+ 7808TIP3    H124872   5.987   5.496   0.162 -1.7870  0.4162  0.5876
+ 7808TIP3    H224873   5.983   5.631   0.231 -1.5183  0.7041  0.0379
+ 7809TIP3   OH224874   5.470   1.359   4.849  0.1867 -0.4022  0.4812
+ 7809TIP3    H124875   5.445   1.279   4.895 -0.1397  0.4295  1.7631
+ 7809TIP3    H224876   5.387   1.399   4.824  0.3583 -0.9332 -1.0206
+ 7810TIP3   OH224877   2.906   5.962   5.228  0.3052 -0.7499 -0.4026
+ 7810TIP3    H124878   2.963   5.895   5.190  4.3598  2.6513 -0.6898
+ 7810TIP3    H224879   2.904   6.032   5.163  3.1150  2.9569  3.1874
+ 7811TIP3   OH224880   4.886   3.539   6.426 -0.0851  0.3437 -0.4623
+ 7811TIP3    H124881   4.912   3.475   6.359  0.3072  1.1307 -1.0637
+ 7811TIP3    H224882   4.908   3.496   6.509  1.7273  0.3707 -0.9129
+ 7812TIP3   OH224883   4.000   1.465   5.833  0.6500 -0.3619 -0.9307
+ 7812TIP3    H124884   4.038   1.551   5.853 -1.5546 -0.0238  2.0453
+ 7812TIP3    H224885   4.047   1.404   5.889 -1.6248 -0.2520  1.1491
+ 7813TIP3   OH224886   4.442   5.663   6.563 -0.2087  0.2377  0.4207
+ 7813TIP3    H124887   4.481   5.728   6.504  1.3554 -0.1843  0.9773
+ 7813TIP3    H224888   4.514   5.635   6.619 -1.1266 -1.2008  0.8989
+ 7814TIP3   OH224889   4.986   6.593   4.833  0.9537  0.2398  0.1686
+ 7814TIP3    H124890   4.962   6.607   4.742  1.4484  1.3085  0.2006
+ 7814TIP3    H224891   5.081   6.583   4.832  1.3097  3.1416  0.8954
+ 7815TIP3   OH224892   4.453   1.514   4.335  0.2356 -0.1638  0.1970
+ 7815TIP3    H124893   4.383   1.559   4.289 -0.3003 -0.3425  0.8308
+ 7815TIP3    H224894   4.515   1.583   4.358 -1.3603  0.5568  2.5900
+ 7816TIP3   OH224895   5.180   3.730   5.131 -0.0334  0.2327 -0.1204
+ 7816TIP3    H124896   5.099   3.736   5.182 -0.1411  0.4739 -0.3149
+ 7816TIP3    H224897   5.208   3.639   5.141 -0.4216  0.1011 -0.1888
+ 7817TIP3   OH224898   2.761   0.846   4.685 -0.4663 -0.2363  0.2004
+ 7817TIP3    H124899   2.745   0.752   4.694 -1.7627  0.0101  0.5454
+ 7817TIP3    H224900   2.681   0.880   4.645  0.5012  0.5342 -1.0877
+ 7818TIP3   OH224901   2.637   5.866   4.658  0.4402  0.3806 -0.1887
+ 7818TIP3    H124902   2.611   5.774   4.663 -0.5398  0.7299  1.7615
+ 7818TIP3    H224903   2.732   5.863   4.642  0.3604 -0.9653 -0.4582
+ 7819TIP3   OH224904   3.960   6.781   5.185 -0.1527  0.1611 -0.3077
+ 7819TIP3    H124905   3.918   6.697   5.165 -0.9365  0.3846  0.3610
+ 7819TIP3    H224906   4.019   6.797   5.112  0.6647 -1.4093 -0.0186
+ 7820TIP3   OH224907   6.444   0.694   6.659 -0.1817  0.2046  0.1585
+ 7820TIP3    H124908   6.394   0.634   6.715 -0.8879  0.6366 -0.0096
+ 7820TIP3    H224909   6.410   0.781   6.681  0.3141  0.4767 -0.1461
+ 7821TIP3   OH224910   0.340   1.235   5.287 -0.5952  0.3438  0.5978
+ 7821TIP3    H124911   0.414   1.202   5.236 -0.1587  1.7970  0.2814
+ 7821TIP3    H224912   0.264   1.218   5.231 -0.2731  0.6675  0.0547
+ 7822TIP3   OH224913   0.593   0.250   3.516 -0.1843 -0.6884 -0.1962
+ 7822TIP3    H124914   0.528   0.274   3.451  0.2016 -0.4893 -0.5117
+ 7822TIP3    H224915   0.662   0.206   3.466  0.0461 -0.6634  0.0956
+ 7823TIP3   OH224916   4.850   0.047   2.714  0.2471 -0.0770 -0.0516
+ 7823TIP3    H124917   4.893   0.133   2.721 -0.8751  0.5314 -0.5913
+ 7823TIP3    H224918   4.879   0.013   2.629  0.3906 -0.0625 -0.0083
+ 7824TIP3   OH224919   5.564   5.705   4.233 -0.3739  0.1541 -0.1585
+ 7824TIP3    H124920   5.601   5.769   4.171 -0.3354  0.2503 -0.0361
+ 7824TIP3    H224921   5.585   5.620   4.195  2.0886  0.1639  1.1151
+ 7825TIP3   OH224922   2.771   6.259   4.673  0.1372  0.5817  0.8794
+ 7825TIP3    H124923   2.689   6.263   4.722  0.2437  0.9760  1.0323
+ 7825TIP3    H224924   2.824   6.331   4.710  1.5626 -1.3059  2.6593
+ 7826TIP3   OH224925   5.409   0.875   4.412 -0.2672  0.1474  0.0694
+ 7826TIP3    H124926   5.424   0.871   4.506 -0.7249 -1.3835  0.0828
+ 7826TIP3    H224927   5.422   0.786   4.381  0.2588  0.7020 -1.3902
+ 7827TIP3   OH224928   4.102   5.307   4.757 -0.4444  0.0940 -0.7592
+ 7827TIP3    H124929   4.139   5.283   4.673  0.3984  0.3171 -0.4574
+ 7827TIP3    H224930   4.177   5.338   4.809 -1.1314  1.1344 -0.3526
+ 7828TIP3   OH224931   5.638   6.284   3.617 -0.2131 -0.4747 -0.0277
+ 7828TIP3    H124932   5.663   6.349   3.551  0.3357 -0.5883  0.0620
+ 7828TIP3    H224933   5.684   6.313   3.697 -1.5847  0.1673  0.5438
+ 7829TIP3   OH224934   4.539   6.892   5.053 -0.0679 -0.6201  0.1089
+ 7829TIP3    H124935   4.498   6.830   5.114  1.5913 -2.8430 -0.9497
+ 7829TIP3    H224936   4.547   6.843   4.971  1.0171  1.1247 -0.8562
+ 7830TIP3   OH224937   5.781   0.331   5.004 -0.2031  0.3098  0.0499
+ 7830TIP3    H124938   5.796   0.368   5.091  0.0595  0.6818 -0.1502
+ 7830TIP3    H224939   5.697   0.368   4.976 -0.6471 -0.3934  0.4508
+ 7831TIP3   OH224940   2.808   6.858   5.124 -0.6000  0.2446 -0.4733
+ 7831TIP3    H124941   2.889   6.876   5.171 -0.9797 -0.3002  0.3890
+ 7831TIP3    H224942   2.825   6.776   5.077 -0.6012  0.2160 -0.4237
+ 7832TIP3   OH224943   6.166   4.020   0.510  0.8996 -0.5023 -0.5940
+ 7832TIP3    H124944   6.196   4.077   0.582  2.2334 -1.0921 -0.6642
+ 7832TIP3    H224945   6.133   4.081   0.444 -0.8058  0.0278  0.7116
+ 7833TIP3   OH224946   4.534   0.376   3.210 -0.0180 -0.4000 -0.8493
+ 7833TIP3    H124947   4.465   0.407   3.152  0.2149  1.9980  0.1091
+ 7833TIP3    H224948   4.487   0.337   3.284 -0.3131 -1.4924 -1.5997
+ 7834TIP3   OH224949   5.565   0.614   5.277  0.0195 -0.0086  0.1573
+ 7834TIP3    H124950   5.631   0.561   5.231  0.9282  1.3942 -0.1903
+ 7834TIP3    H224951   5.550   0.567   5.359  0.5485 -0.9937 -0.2959
+ 7835TIP3   OH224952   4.732   5.107   4.721 -0.2167 -0.5221 -0.1456
+ 7835TIP3    H124953   4.736   5.159   4.640  0.6932  0.1479  0.3183
+ 7835TIP3    H224954   4.799   5.146   4.777 -1.5385 -0.3471  1.3094
+ 7836TIP3   OH224955   6.425   3.415   0.014  0.1830  0.0686  0.0635
+ 7836TIP3    H124956   6.492   3.459   0.067 -0.0383 -0.9416  1.1920
+ 7836TIP3    H224957   6.343   3.456   0.041  0.2171  0.5424 -0.5344
+ 7837TIP3   OH224958   0.920   1.078   3.140 -0.3209 -0.5184  0.1063
+ 7837TIP3    H124959   0.979   1.150   3.162 -0.1169 -1.0924  1.4762
+ 7837TIP3    H224960   0.952   1.045   3.057  1.1461 -0.6720  0.7292
+ 7838TIP3   OH224961   4.072   5.212   1.783  1.0567  0.3806 -0.0487
+ 7838TIP3    H124962   4.053   5.123   1.813  0.6179  0.2730 -0.6539
+ 7838TIP3    H224963   4.000   5.265   1.818 -0.6189 -0.0903 -2.6730
+ 7839TIP3   OH224964   2.509   5.388   5.085 -0.0260 -0.1257 -0.2606
+ 7839TIP3    H124965   2.601   5.365   5.100 -0.3693 -0.8256  0.8761
+ 7839TIP3    H224966   2.486   5.445   5.159  0.6777  3.6020 -2.8008
+ 7840TIP3   OH224967   5.182   5.397   4.214  0.0378  0.3502 -0.0746
+ 7840TIP3    H124968   5.117   5.441   4.158  0.1314 -0.5712 -0.9178
+ 7840TIP3    H224969   5.254   5.460   4.220 -0.1370  0.6161 -0.6753
+ 7841TIP3   OH224970   5.823   6.047   6.646 -0.3906 -0.0864 -0.5929
+ 7841TIP3    H124971   5.831   6.118   6.583  0.7545  0.8363  0.5570
+ 7841TIP3    H224972   5.878   5.977   6.611  1.1229  0.8315 -0.0946
+ 7842TIP3   OH224973   4.327   6.733   5.135  0.5033 -0.0571  1.0190
+ 7842TIP3    H124974   4.265   6.699   5.070 -0.1675 -2.6562  2.9513
+ 7842TIP3    H224975   4.287   6.814   5.166  0.5314  0.8983 -1.3060
+ 7843TIP3   OH224976   5.682   5.026   3.716  0.0398  0.3591  0.0473
+ 7843TIP3    H124977   5.599   5.053   3.676  0.3984  0.4803 -0.6272
+ 7843TIP3    H224978   5.666   5.032   3.810 -0.1663  2.0725 -0.0823
+ 7844TIP3   OH224979   2.946   5.153   3.900 -0.2716  0.2667  0.7260
+ 7844TIP3    H124980   2.878   5.149   3.967 -0.4332  2.1564  0.6969
+ 7844TIP3    H224981   3.017   5.203   3.940 -0.1267  0.8916 -0.2894
+ 7845TIP3   OH224982   5.196   6.076   4.098  0.1034  0.6849  0.0589
+ 7845TIP3    H124983   5.172   6.035   4.181 -0.4831 -1.6060 -1.2055
+ 7845TIP3    H224984   5.282   6.115   4.114  0.9073 -1.4919  1.1562
+ 7846TIP3   OH224985   4.772   4.917   5.021 -0.0162  0.4622 -0.3065
+ 7846TIP3    H124986   4.809   4.910   5.109 -2.3158  0.5385  0.7100
+ 7846TIP3    H224987   4.755   5.010   5.009  4.6990  1.1258 -2.7781
+ 7847TIP3   OH224988   6.384   5.411   6.563  0.2083 -0.3085 -0.3277
+ 7847TIP3    H124989   6.294   5.442   6.574  0.0563 -1.1418  0.8873
+ 7847TIP3    H224990   6.437   5.481   6.600  0.0035 -0.2862 -0.0698
+ 7848TIP3   OH224991   4.312   5.317   6.712 -0.1706 -0.2771 -0.0703
+ 7848TIP3    H124992   4.344   5.229   6.693 -0.0555 -0.2890  0.1831
+ 7848TIP3    H224993   4.306   5.359   6.626 -0.9104 -0.7624 -0.2666
+ 7849TIP3   OH224994   3.000   0.256   5.590  0.2791  0.0006  0.1071
+ 7849TIP3    H124995   3.073   0.260   5.528  1.3356 -0.5625  1.2870
+ 7849TIP3    H224996   2.965   0.345   5.590  0.3085  0.0236 -1.2403
+ 7850TIP3   OH224997   3.845   6.524   4.637  0.3475  0.4284 -0.3661
+ 7850TIP3    H124998   3.830   6.582   4.562  0.3127  0.1706 -0.5590
+ 7850TIP3    H224999   3.774   6.461   4.633  0.4771  0.2754 -0.2507
+ 7851TIP3   OH225000   5.348   6.627   3.677 -0.1407  0.4342  0.3863
+ 7851TIP3    H125001   5.310   6.565   3.740 -0.4801  1.4657  1.2143
+ 7851TIP3    H225002   5.423   6.580   3.641 -0.7344 -0.6842  0.5667
+ 7852TIP3   OH225003   5.258   5.954   5.085  0.2438 -0.0026  0.2723
+ 7852TIP3    H125004   5.307   6.035   5.101 -0.6561  0.8650 -1.1671
+ 7852TIP3    H225005   5.305   5.911   5.014 -1.6004  1.3651 -1.8657
+ 7853TIP3   OH225006   4.561   5.516   4.118  0.0481 -0.2378 -0.3034
+ 7853TIP3    H125007   4.572   5.478   4.205 -0.4095  0.8678  0.2420
+ 7853TIP3    H225008   4.549   5.609   4.134  2.6888  0.3920 -1.7195
+ 7854TIP3   OH225009   5.493   0.623   4.362  1.0961 -0.0566 -0.0692
+ 7854TIP3    H125010   5.502   0.541   4.410  0.7425  0.1622  0.3787
+ 7854TIP3    H225011   5.541   0.609   4.281  0.3158 -1.0094 -0.3769
+ 7855TIP3   OH225012   6.808   6.769   3.679  0.2031 -0.0626  0.4232
+ 7855TIP3    H125013   6.716   6.770   3.704  0.9763  0.5282  3.4172
+ 7855TIP3    H225014   6.837   6.859   3.688  1.4463 -0.5006  0.9889
+ 7856TIP3   OH225015   6.344   0.731   5.749 -0.4215  0.0524 -0.2869
+ 7856TIP3    H125016   6.344   0.796   5.819  1.6011  1.9849 -1.9602
+ 7856TIP3    H225017   6.407   0.665   5.777 -1.0558 -0.1792  0.5796
+ 7857TIP3   OH225018   5.702   4.184   6.335  0.5786  0.5313 -0.0574
+ 7857TIP3    H125019   5.681   4.091   6.328 -0.5080  0.7467  0.2798
+ 7857TIP3    H225020   5.778   4.195   6.278 -0.2126 -0.2631 -1.2988
+ 7858TIP3   OH225021   6.180   0.051   5.052 -0.6561 -0.0508 -0.4694
+ 7858TIP3    H125022   6.158   0.052   5.145 -0.1803 -0.0232 -0.3600
+ 7858TIP3    H225023   6.275   0.046   5.049 -0.6759 -0.1926 -0.9562
+ 7859TIP3   OH225024   0.069   0.726   5.021  0.7519  0.0377 -0.0886
+ 7859TIP3    H125025   0.036   0.816   5.016  0.2134 -0.1304  0.4178
+ 7859TIP3    H225026   0.161   0.737   5.047  1.2425  0.5189 -1.9255
+ 7860TIP3   OH225027   5.745   0.675   6.309  0.4058 -0.1058 -0.5424
+ 7860TIP3    H125028   5.735   0.685   6.404 -1.1536  0.9821 -0.8123
+ 7860TIP3    H225029   5.774   0.761   6.279  1.2048 -0.5348 -1.0319
+ 7861TIP3   OH225030   6.610   6.840   4.619  0.4481  0.0767  0.7067
+ 7861TIP3    H125031   6.549   6.913   4.630  0.7853  0.4360  0.2130
+ 7861TIP3    H225032   6.605   6.792   4.702  1.3090  1.4829  1.5958
+ 7862TIP3   OH225033   6.216   6.884   2.296 -0.0760 -0.2750 -0.3957
+ 7862TIP3    H125034   6.150   6.870   2.364  0.2417 -3.1516 -0.6117
+ 7862TIP3    H225035   6.175   6.849   2.217  0.7600  0.2214 -1.0525
+ 7863TIP3   OH225036   4.850   5.229   5.868  0.0464 -0.3219 -0.4224
+ 7863TIP3    H125037   4.862   5.176   5.789 -1.0144 -0.2555 -0.6337
+ 7863TIP3    H225038   4.918   5.198   5.927  0.7074 -0.5313 -1.2791
+ 7864TIP3   OH225039   5.346   0.824   5.723 -0.3393 -0.5723 -0.3163
+ 7864TIP3    H125040   5.426   0.795   5.766 -0.6038  0.4955  0.9455
+ 7864TIP3    H225041   5.279   0.819   5.791 -0.7793  1.1315 -0.6023
+ 7865TIP3   OH225042   5.816   4.613   5.432  0.2771 -0.2387  0.6387
+ 7865TIP3    H125043   5.798   4.547   5.498 -1.9834  1.3054  1.6225
+ 7865TIP3    H225044   5.770   4.583   5.354 -0.6616  0.0971  1.0548
+ 7866TIP3   OH225045   5.339   4.496   0.424  0.3065  0.2767  0.1549
+ 7866TIP3    H125046   5.282   4.430   0.384 -0.6046  1.2912 -0.2594
+ 7866TIP3    H225047   5.328   4.484   0.518 -0.0905  0.0370  0.0790
+ 7867TIP3   OH225048   1.532   0.145   6.067 -0.8207 -0.0953  0.4552
+ 7867TIP3    H125049   1.461   0.082   6.081  0.4700 -1.5635  0.5532
+ 7867TIP3    H225050   1.563   0.166   6.156 -0.9176  0.2935  0.3973
+ 7868TIP3   OH225051   0.158   3.444   4.072 -0.3818  0.6953  0.1086
+ 7868TIP3    H125052   0.089   3.392   4.114 -1.3874  2.1929  0.3703
+ 7868TIP3    H225053   0.212   3.380   4.026 -1.4092 -0.6054  0.6752
+ 7869TIP3   OH225054   5.364   6.665   4.507  0.0111  0.0332 -0.2182
+ 7869TIP3    H125055   5.418   6.742   4.487  0.5612 -0.4510 -0.6065
+ 7869TIP3    H225056   5.426   6.592   4.510 -0.5665 -0.4685 -0.2973
+ 7870TIP3   OH225057   1.146   0.188   4.606 -0.3087  0.2790  0.1536
+ 7870TIP3    H125058   1.239   0.174   4.623 -0.0929  0.7386 -0.6298
+ 7870TIP3    H225059   1.135   0.283   4.608 -0.8414  0.2119  0.6389
+ 7871TIP3   OH225060   0.394   5.981   4.992  0.4427 -0.6910 -0.2050
+ 7871TIP3    H125061   0.365   5.926   5.065 -1.5805 -0.4066 -0.7639
+ 7871TIP3    H225062   0.448   5.922   4.939  3.6786 -0.3664  2.5178
+ 7872TIP3   OH225063   0.487   5.727   4.901 -0.1810  0.3695  0.1740
+ 7872TIP3    H125064   0.410   5.690   4.858 -0.3350  2.6100 -1.5400
+ 7872TIP3    H225065   0.490   5.683   4.986 -2.1058 -1.3007 -0.5714
+ 7873TIP3   OH225066   4.737   4.961   4.255  0.4089 -0.0461 -0.0883
+ 7873TIP3    H125067   4.711   5.050   4.278 -1.1967 -0.2667 -1.0208
+ 7873TIP3    H225068   4.706   4.907   4.327 -0.4991 -0.1236 -0.5330
+ 7874TIP3   OH225069   5.927   4.890   0.223 -0.1926 -0.3399  0.4751
+ 7874TIP3    H125070   5.847   4.887   0.275 -0.0939  0.1860  0.6563
+ 7874TIP3    H225071   5.966   4.975   0.242  0.0081 -0.2674 -0.2221
+ 7875TIP3   OH225072   0.538   0.170   4.678 -0.2162 -1.0755 -0.2258
+ 7875TIP3    H125073   0.451   0.165   4.719  0.5695  0.7318  1.7651
+ 7875TIP3    H225074   0.521   0.212   4.593 -1.3025 -0.7498  0.1371
+ 7876TIP3   OH225075   0.183   5.946   5.887  0.1628 -0.1490  0.5604
+ 7876TIP3    H125076   0.096   5.983   5.901 -0.0574 -0.6832  0.6071
+ 7876TIP3    H225077   0.243   6.019   5.903 -0.3768  0.8131 -1.6153
+ 7877TIP3   OH225078   5.488   5.981   6.112 -0.4499 -0.3380  0.6337
+ 7877TIP3    H125079   5.434   5.903   6.114 -1.7608  0.5481  0.4136
+ 7877TIP3    H225080   5.578   5.949   6.101 -1.1576 -1.6988 -1.1747
+ 7878TIP3   OH225081   6.489   1.921   6.805  0.2739 -0.0997  0.3393
+ 7878TIP3    H125082   6.475   1.826   6.815 -0.5353  0.1575  1.8342
+ 7878TIP3    H225083   6.502   1.953   6.894 -1.0778  1.4409  0.0053
+ 7879TIP3   OH225084   5.776   5.374   4.677  0.2205  0.2540 -0.0170
+ 7879TIP3    H125085   5.744   5.464   4.669  0.3861  0.2943 -0.2294
+ 7879TIP3    H225086   5.797   5.365   4.770  0.0079  0.3692  0.0433
+ 7880TIP3   OH225087   6.297   3.970   6.607  0.6733  0.1316  0.1766
+ 7880TIP3    H125088   6.378   3.919   6.613 -0.3408 -1.3090  1.8402
+ 7880TIP3    H225089   6.243   3.921   6.545 -0.2499 -0.7796  1.6756
+ 7881TIP3   OH225090   5.282   0.016   5.371  0.5030  0.3728  0.5736
+ 7881TIP3    H125091   5.192  -0.013   5.356  0.0085  1.3585  1.5637
+ 7881TIP3    H225092   5.321   0.022   5.283 -0.5682  0.4962  0.1065
+ 7882TIP3   OH225093   6.380   0.382   3.305 -0.1340  0.3015 -0.1133
+ 7882TIP3    H125094   6.432   0.320   3.253  1.3349  1.1857  0.2725
+ 7882TIP3    H225095   6.443   0.447   3.335 -1.4126  1.1967  0.6920
+ 7883TIP3   OH225096   0.024   0.363   1.774 -0.3388 -0.1180  0.3364
+ 7883TIP3    H125097   0.082   0.383   1.701  1.2086 -1.0645  1.2938
+ 7883TIP3    H225098   0.060   0.413   1.847 -0.3159 -1.2825  1.1198
+ 7884TIP3   OH225099   3.986   0.296   4.591  0.1711  0.1013 -0.1458
+ 7884TIP3    H125100   4.075   0.318   4.561  0.4973 -0.7163  0.2111
+ 7884TIP3    H225101   3.966   0.213   4.547 -0.7014  0.6491 -0.7832
+ 7885TIP3   OH225102   4.127   6.716   5.798 -0.6427 -0.0775 -0.6057
+ 7885TIP3    H125103   4.072   6.638   5.803 -1.9660  0.9329  1.3477
+ 7885TIP3    H225104   4.217   6.682   5.792 -0.8490 -1.8204  4.2130
+ 7886TIP3   OH225105   6.119   5.660   4.716  0.4118  0.3579 -0.5829
+ 7886TIP3    H125106   6.115   5.648   4.621 -0.6506 -0.1864 -0.4819
+ 7886TIP3    H225107   6.205   5.625   4.741  0.7394  0.5993 -1.3502
+ 7887TIP3   OH225108   6.249   4.106   5.730  0.2519 -0.5264  0.5418
+ 7887TIP3    H125109   6.252   4.190   5.684  0.3474 -1.0475 -0.4286
+ 7887TIP3    H225110   6.329   4.105   5.782  0.5377 -0.2497  0.1176
+ 7888TIP3   OH225111   5.026   6.372   4.665 -0.2014 -0.0942  0.2264
+ 7888TIP3    H125112   4.940   6.362   4.626 -0.4958  1.0922  0.5414
+ 7888TIP3    H225113   5.009   6.399   4.755  0.4954  0.8117  0.1012
+ 7889TIP3   OH225114   5.841   1.744   6.501 -0.2996 -0.1360  0.0632
+ 7889TIP3    H125115   5.843   1.648   6.502  0.3657 -0.1702 -1.9760
+ 7889TIP3    H225116   5.910   1.768   6.440  3.0039  1.8276  4.3652
+ 7890TIP3   OH225117   5.546   0.377   4.546 -0.1896  0.0784  0.1390
+ 7890TIP3    H125118   5.504   0.385   4.632 -1.4382  1.9455 -0.6065
+ 7890TIP3    H225119   5.514   0.295   4.511 -1.3428  0.3239  0.5923
+ 7891TIP3   OH225120   4.955   4.947   6.540  0.6390 -0.4451  0.2206
+ 7891TIP3    H125121   5.050   4.936   6.543  0.5643 -1.0083  0.5363
+ 7891TIP3    H225122   4.931   4.972   6.629  0.3604 -1.3947  0.4160
+ 7892TIP3   OH225123   5.511   5.877   5.534 -0.1490 -0.0873 -0.0398
+ 7892TIP3    H125124   5.480   5.792   5.503  0.0221 -0.0128 -0.4271
+ 7892TIP3    H225125   5.434   5.919   5.572 -0.7912  0.5340 -1.9649
+ 7893TIP3   OH225126   6.783   5.991   5.942  0.4530  0.2403 -0.1640
+ 7893TIP3    H125127   6.695   5.959   5.961  0.8801 -0.1069  1.3050
+ 7893TIP3    H225128   6.772   6.085   5.926 -0.2280  0.1381 -0.2729
+ 7894TIP3   OH225129   5.488   0.087   6.255 -0.0239  0.1978 -1.0369
+ 7894TIP3    H125130   5.574   0.055   6.227  0.8304 -0.6080  2.2923
+ 7894TIP3    H225131   5.430   0.012   6.242  0.6533 -0.6349  0.6535
+ 7895TIP3   OH225132   0.014   6.622   4.475  0.8667  0.1136 -0.7394
+ 7895TIP3    H125133   0.053   6.549   4.524  2.9286 -0.8394 -3.6513
+ 7895TIP3    H225134  -0.067   6.585   4.439  1.5218 -0.5440 -1.5736
+ 7896TIP3   OH225135   5.803   0.804   3.815 -0.0127 -0.0878  0.0760
+ 7896TIP3    H125136   5.819   0.713   3.840  0.5380 -0.2805 -0.9438
+ 7896TIP3    H225137   5.867   0.821   3.746 -0.2749  1.0032  0.0987
+ 7897TIP3   OH225138   3.792   6.536   5.185 -0.1483  0.2759  1.5146
+ 7897TIP3    H125139   3.718   6.480   5.208 -0.9585  0.5367 -0.4276
+ 7897TIP3    H225140   3.853   6.479   5.138 -0.3764  0.7215  0.6785
+ 7898TIP3   OH225141   5.233   1.722   5.199 -0.1619 -1.0808 -0.3486
+ 7898TIP3    H125142   5.219   1.629   5.184  0.6290 -1.1131 -0.8869
+ 7898TIP3    H225143   5.328   1.734   5.195 -0.2242 -0.3322  0.1695
+ 7899TIP3   OH225144   1.206   4.651   6.037 -0.2393 -0.1673 -0.4807
+ 7899TIP3    H125145   1.122   4.634   6.079 -0.6046  0.3824 -0.9787
+ 7899TIP3    H225146   1.183   4.684   5.950  0.4859  1.2256 -0.1511
+ 7900TIP3   OH225147   4.736   6.274   4.754 -0.3439  0.0668 -0.4804
+ 7900TIP3    H125148   4.701   6.363   4.759 -0.6072 -0.1157  1.1002
+ 7900TIP3    H225149   4.752   6.250   4.845 -0.3824 -1.5484 -0.8980
+ 7901TIP3   OH225150   6.811   1.218   4.927 -0.8433  0.1571 -0.9232
+ 7901TIP3    H125151   6.854   1.232   4.843 -0.9367  0.7065 -0.8799
+ 7901TIP3    H225152   6.827   1.298   4.977  1.0019 -0.9722  0.3678
+ 7902TIP3   OH225153   0.481   0.122   5.978  0.2482  0.0347  0.7589
+ 7902TIP3    H125154   0.496   0.163   6.063 -2.7484  1.6467  0.5551
+ 7902TIP3    H225155   0.463   0.030   5.999  0.0048  0.3137  1.8164
+ 7903TIP3   OH225156   6.064   5.087   5.012 -0.3259 -0.0728  0.6113
+ 7903TIP3    H125157   6.111   5.015   5.054  0.9523  1.0146  1.0255
+ 7903TIP3    H225158   5.990   5.105   5.071 -0.1974 -0.5090  0.9077
+ 7904TIP3   OH225159   0.602   6.393   4.196 -0.6347  0.2289 -0.2399
+ 7904TIP3    H125160   0.522   6.432   4.159 -0.3199 -0.1774 -1.3731
+ 7904TIP3    H225161   0.604   6.305   4.158 -0.2134 -0.1354  0.6333
+ 7905TIP3   OH225162   6.367   3.726   6.472 -0.1623 -0.0149  0.5512
+ 7905TIP3    H125163   6.369   3.676   6.553 -4.2736 -1.8622 -0.3280
+ 7905TIP3    H225164   6.385   3.661   6.404  0.5753  0.9730 -0.2120
+ 7906TIP3   OH225165   5.333   5.323   4.509 -0.2036  0.4213  0.1240
+ 7906TIP3    H125166   5.321   5.354   4.599 -0.7110 -0.5580  0.3996
+ 7906TIP3    H225167   5.248   5.336   4.468 -0.8628 -1.9787  0.6745
+ 7907TIP3   OH225168   4.382   0.171   6.289 -0.0065 -0.2777  0.2576
+ 7907TIP3    H125169   4.367   0.249   6.342  0.5318 -0.9706  1.4521
+ 7907TIP3    H225170   4.316   0.175   6.220  0.3174  1.4639  0.0466
+ 7908TIP3   OH225171   6.107   1.819   5.842  0.6844 -0.2577  0.4643
+ 7908TIP3    H125172   6.075   1.828   5.932  2.8701  0.7411  1.1781
+ 7908TIP3    H225173   6.066   1.739   5.810 -2.8390  1.1333  1.1574
+ 7909TIP3   OH225174   5.827   5.367   6.421  0.5402 -0.5331 -0.3805
+ 7909TIP3    H125175   5.870   5.285   6.396  1.5492 -0.1317  0.0071
+ 7909TIP3    H225176   5.899   5.427   6.439 -0.1990  0.0225  0.7424
+ 7910TIP3   OH225177   6.406   6.144   4.057 -0.0692  0.5607  0.7148
+ 7910TIP3    H125178   6.405   6.151   3.961 -2.1383 -1.0502  0.5753
+ 7910TIP3    H225179   6.414   6.235   4.088  1.7053  1.0029 -0.9712
+ 7911TIP3   OH225180   5.738   5.088   4.544  0.0887  0.0134  0.2846
+ 7911TIP3    H125181   5.678   5.161   4.527  0.2953 -0.1982 -1.4262
+ 7911TIP3    H225182   5.710   5.054   4.629 -0.2333  1.8592  0.9516
+ 7912TIP3   OH225183   5.109   6.926   5.920  0.2761  0.2221 -0.4853
+ 7912TIP3    H125184   5.047   6.856   5.939  2.2548 -1.1987  0.9779
+ 7912TIP3    H225185   5.155   6.896   5.841 -1.3616  1.6211 -2.0097
+ 7913TIP3   OH225186   5.803   6.791   3.531 -0.1649  0.4863  0.2858
+ 7913TIP3    H125187   5.848   6.875   3.540 -1.1089  1.0098  0.2182
+ 7913TIP3    H225188   5.820   6.744   3.612 -0.3620  1.1029  0.6802
+ 7914TIP3   OH225189   3.348   0.448   5.542 -0.0762  0.2179  0.3379
+ 7914TIP3    H125190   3.332   0.420   5.632 -1.1249 -0.8549 -0.1649
+ 7914TIP3    H225191   3.270   0.419   5.494  0.9487 -0.1554 -1.1187
+ 7915TIP3   OH225192   1.336   0.523   4.433 -0.2962  0.6689  0.0913
+ 7915TIP3    H125193   1.362   0.614   4.416  1.1238  0.3374  0.3788
+ 7915TIP3    H225194   1.356   0.477   4.351  2.4515 -0.0750  1.1085
+ 7916TIP3   OH225195   6.530   0.554   5.009  0.2098  0.3285  0.5230
+ 7916TIP3    H125196   6.586   0.622   5.048  0.3392  0.2420  0.4874
+ 7916TIP3    H225197   6.518   0.490   5.080 -2.2570  1.7920  1.4914
+ 7917TIP3   OH225198   1.059   6.820   2.759  0.1440  0.3168  0.6432
+ 7917TIP3    H125199   1.021   6.900   2.724  0.6021  0.2326 -0.0491
+ 7917TIP3    H225200   1.004   6.798   2.835  0.3466  1.5761  1.1578
+ 7918TIP3   OH225201   0.766   5.551   1.343 -0.3489 -0.0325  0.4088
+ 7918TIP3    H125202   0.816   5.631   1.324 -1.6079  0.9420  1.1292
+ 7918TIP3    H225203   0.728   5.566   1.429 -3.1868 -0.0614 -0.7697
+ 7919TIP3   OH225204   5.795   0.909   5.123  0.4942 -0.4401 -0.4063
+ 7919TIP3    H125205   5.797   0.874   5.034  2.6819  0.7946 -0.8890
+ 7919TIP3    H225206   5.866   0.863   5.167 -0.5204 -0.9735  0.6882
+ 7920TIP3   OH225207   5.538   1.039   5.044 -0.2127  0.2943 -0.0656
+ 7920TIP3    H125208   5.490   0.981   4.985  0.7689 -0.4863 -0.1114
+ 7920TIP3    H225209   5.556   0.986   5.121 -0.2311  0.8708  0.3447
+ 7921TIP3   OH225210   6.093   5.060   6.779 -0.3351 -0.3902 -0.3746
+ 7921TIP3    H125211   6.173   5.079   6.730 -0.6503  0.3472 -0.6191
+ 7921TIP3    H225212   6.102   4.969   6.807  1.6209  0.3632  1.5671
+ 7922TIP3   OH225213   0.039   5.242   6.136 -0.0326 -0.2460  0.4962
+ 7922TIP3    H125214   0.009   5.154   6.115 -0.6838  0.0957 -0.0184
+ 7922TIP3    H225215   0.024   5.293   6.056 -0.0673  0.4302  0.9271
+ 7923TIP3   OH225216   5.669   3.992   6.655 -0.0178 -0.4814  0.5503
+ 7923TIP3    H125217   5.671   3.980   6.750 -0.5923  0.9901  0.7673
+ 7923TIP3    H225218   5.712   4.077   6.641 -0.8817 -0.1950 -0.4182
+ 7924TIP3   OH225219   4.673   6.539   4.816 -0.1610  0.2035 -0.2016
+ 7924TIP3    H125220   4.665   6.632   4.793 -0.0928  0.3956  0.5227
+ 7924TIP3    H225221   4.758   6.533   4.860  0.1728 -0.3474 -0.9283
+ 7925TIP3   OH225222   5.730   5.904   0.017  0.3187 -0.0439 -0.4044
+ 7925TIP3    H125223   5.767   5.934  -0.067 -0.7560 -1.0151 -1.2353
+ 7925TIP3    H225224   5.797   5.847   0.054  1.3578  1.4389  0.0359
+ 7926TIP3   OH225225   6.754   3.585   5.266  0.0728 -0.4630 -0.6298
+ 7926TIP3    H125226   6.770   3.628   5.349  0.1105 -1.2627 -0.2160
+ 7926TIP3    H225227   6.816   3.625   5.205  1.2111 -1.0513  0.1283
+ 7927TIP3   OH225228   4.647   3.668   0.366 -0.0224 -0.3347  0.1862
+ 7927TIP3    H125229   4.742   3.674   0.380 -0.3127  0.8555  1.7166
+ 7927TIP3    H225230   4.612   3.646   0.452 -1.2470  0.3993 -0.1217
+ 7928TIP3   OH225231   2.380   0.588   6.360  0.4397 -0.4928 -0.2019
+ 7928TIP3    H125232   2.472   0.561   6.359  0.3913 -0.9404  2.7842
+ 7928TIP3    H225233   2.384   0.684   6.366  0.7278 -0.5367  0.3523
+ 7929TIP3   OH225234   4.796   5.767   5.162 -0.4054 -0.8376 -0.2163
+ 7929TIP3    H125235   4.863   5.820   5.204 -0.3279 -2.1587  1.3307
+ 7929TIP3    H225236   4.771   5.818   5.085  0.5799  0.8401  0.5503
+ 7930TIP3   OH225237   4.010   6.360   5.053 -0.4634 -0.2968 -0.3550
+ 7930TIP3    H125238   4.061   6.324   4.981  1.7673  0.9528  0.5325
+ 7930TIP3    H225239   3.994   6.285   5.111  1.1730 -0.5558 -0.2092
+ 7931TIP3   OH225240   3.532   0.579   4.632  0.6612 -0.0641 -0.3781
+ 7931TIP3    H125241   3.517   0.654   4.575  0.6274  1.1741  1.2092
+ 7931TIP3    H225242   3.628   0.572   4.637  0.6637 -0.4103 -0.8773
+ 7932TIP3   OH225243   5.970   5.945   5.019 -0.1531  0.0768 -0.0095
+ 7932TIP3    H125244   5.982   6.039   5.006  2.7374 -0.4457 -1.3559
+ 7932TIP3    H225245   5.977   5.907   4.932  1.0272 -1.6457  0.8036
+ 7933TIP3   OH225246   6.782   0.310   6.582  1.0367  0.3581 -0.7824
+ 7933TIP3    H125247   6.832   0.391   6.584  3.4846 -1.1329  0.4657
+ 7933TIP3    H225248   6.804   0.266   6.664 -1.9745 -0.5752 -0.4181
+ 7934TIP3   OH225249   5.035   1.568   6.546 -0.2191  0.0386  0.6043
+ 7934TIP3    H125250   5.028   1.524   6.631 -1.2133  0.5301  0.7800
+ 7934TIP3    H225251   5.122   1.544   6.514 -0.1653 -0.8292  1.3801
+ 7935TIP3   OH225252   6.549   1.569   4.768  0.0814 -0.3634 -0.3336
+ 7935TIP3    H125253   6.564   1.477   4.746  1.1858 -0.1806 -0.3761
+ 7935TIP3    H225254   6.463   1.589   4.733  0.1727 -1.1689 -1.0237
+ 7936TIP3   OH225255   5.225   0.579   4.834  0.3688  0.0552 -0.1987
+ 7936TIP3    H125256   5.284   0.510   4.805  1.6977  0.9920  0.2521
+ 7936TIP3    H225257   5.151   0.575   4.772  0.0084 -2.3221  0.3631
+ 7937TIP3   OH225258   6.361   5.460   5.565 -0.1051  0.1949 -0.0420
+ 7937TIP3    H125259   6.381   5.505   5.483  1.5836 -0.3946  0.0262
+ 7937TIP3    H225260   6.388   5.370   5.550 -2.0056 -0.4711  0.3626
+ 7938TIP3   OH225261   6.034   5.475   3.663 -0.0236  0.7403 -0.2324
+ 7938TIP3    H125262   5.994   5.389   3.648  0.5242  0.8797 -2.7569
+ 7938TIP3    H225263   6.101   5.458   3.729  0.2842 -0.8553 -0.9197
+ 7939TIP3   OH225264   5.328   4.814   4.704 -0.6027 -0.2740 -0.1520
+ 7939TIP3    H125265   5.253   4.867   4.674  0.0276  1.9702  2.0730
+ 7939TIP3    H225266   5.319   4.732   4.656 -3.4127  0.6648 -1.3852
+ 7940TIP3   OH225267   0.362   3.830   0.534 -0.3923  0.0992 -0.3575
+ 7940TIP3    H125268   0.353   3.914   0.490  3.0355  1.1040  0.7164
+ 7940TIP3    H225269   0.427   3.782   0.482  0.2308 -0.5215  0.9691
+ 7941TIP3   OH225270   6.754   4.389   5.671 -0.3309 -0.9479  0.3501
+ 7941TIP3    H125271   6.709   4.439   5.603  1.2481  1.3569  0.9700
+ 7941TIP3    H225272   6.714   4.302   5.666 -2.1925 -0.0322 -1.6316
+ 7942TIP3   OH225273   3.619   0.844   0.869 -0.0225 -0.3961 -0.3942
+ 7942TIP3    H125274   3.642   0.895   0.792 -0.7385 -0.7180 -0.8292
+ 7942TIP3    H225275   3.529   0.815   0.853 -0.7780  0.9044  1.2980
+ 7943TIP3   OH225276   6.832   1.809   1.557  0.0821 -0.0007 -0.3585
+ 7943TIP3    H125277   6.803   1.781   1.470 -2.2801  2.3852 -0.3660
+ 7943TIP3    H225278   6.812   1.902   1.561  1.2665  0.1832  2.3227
+ 7944TIP3   OH225279   2.277   0.425   6.921 -0.1615 -0.4382  0.0192
+ 7944TIP3    H125280   2.369   0.442   6.942 -0.2613 -0.0609  0.1425
+ 7944TIP3    H225281   2.276   0.415   6.825 -0.1695  0.6527 -0.1016
+ 7945TIP3   OH225282   6.203   0.972   5.893  0.1913 -0.0576  0.1611
+ 7945TIP3    H125283   6.283   1.024   5.878 -1.7121  2.3598 -2.2316
+ 7945TIP3    H225284   6.140   1.007   5.830 -2.0174 -3.6341  0.2454
+ 7946TIP3   OH225285   6.282   1.859   0.122  0.5056 -0.3347  0.4090
+ 7946TIP3    H125286   6.221   1.882   0.192 -0.3027 -1.6238  0.1329
+ 7946TIP3    H225287   6.335   1.789   0.160  1.5525  0.4866  0.4964
+ 7947TIP3   OH225288   0.044   1.864   5.141  0.3960 -0.5204  0.2807
+ 7947TIP3    H125289  -0.003   1.943   5.168  0.4536  0.0955 -1.3062
+ 7947TIP3    H225290   0.124   1.864   5.194 -0.5215 -0.5785  1.6730
+ 7948TIP3   OH225291   6.921   6.494   0.025  0.8671 -0.0091 -0.4432
+ 7948TIP3    H125292   6.863   6.569   0.007 -0.7943 -0.8182  1.3572
+ 7948TIP3    H225293   6.914   6.481   0.120  3.2407 -0.7713 -0.3618
+ 7949TIP3   OH225294   0.857   1.643   6.504 -0.1920  1.3974  0.3197
+ 7949TIP3    H125295   0.780   1.680   6.548  0.1801  2.6711 -0.0662
+ 7949TIP3    H225296   0.871   1.700   6.428 -1.5065 -1.4083 -2.1254
+ 7950TIP3   OH225297   1.599   1.617   0.645 -0.1774 -0.7211 -0.0103
+ 7950TIP3    H125298   1.602   1.689   0.582 -0.4127  0.9612  1.8543
+ 7950TIP3    H225299   1.689   1.607   0.674 -0.7816  1.8543  3.0115
+ 7951TIP3   OH225300   2.515   1.640   2.467  0.2131  0.3135 -0.1513
+ 7951TIP3    H125301   2.536   1.705   2.399  0.0940 -0.5828 -1.0705
+ 7951TIP3    H225302   2.421   1.628   2.461  0.3767 -0.7899 -0.7934
+ 7952TIP3   OH225303   1.591   5.358   5.220  0.2213  0.2597  0.3110
+ 7952TIP3    H125304   1.533   5.293   5.181 -0.3848  1.1135 -0.2194
+ 7952TIP3    H225305   1.532   5.418   5.267  0.8302  0.0182  1.3907
+ 7953TIP3   OH225306   0.460   0.225   0.720 -0.0754  0.4223  0.3231
+ 7953TIP3    H125307   0.407   0.239   0.642  0.3495  2.1412  0.3129
+ 7953TIP3    H225308   0.476   0.131   0.723 -0.4395  0.2952 -1.4309
+ 7954TIP3   OH225309   6.815   5.854   5.688 -0.0951  0.0746 -0.2843
+ 7954TIP3    H125310   6.836   5.860   5.781  2.5922  0.0679 -0.8423
+ 7954TIP3    H225311   6.723   5.829   5.685 -0.1328 -0.1868  2.3718
+ 7955TIP3   OH225312   5.891   1.800   0.299 -0.2988  0.0523 -0.6358
+ 7955TIP3    H125313   5.976   1.841   0.315 -0.1669  0.2213 -1.7157
+ 7955TIP3    H225314   5.838   1.823   0.375  0.2603  0.9298 -0.5129
+ 7956TIP3   OH225315   1.491   2.132   5.482 -0.7142  0.3193 -1.0176
+ 7956TIP3    H125316   1.468   2.061   5.542 -1.3146  0.7746 -0.7002
+ 7956TIP3    H225317   1.433   2.119   5.407  0.8980 -0.9908 -2.0768
+ 7957TIP3   OH225318   2.786   3.507   0.580 -0.0043 -0.2734 -0.3253
+ 7957TIP3    H125319   2.762   3.566   0.651 -0.1768  0.4936 -1.0174
+ 7957TIP3    H225320   2.709   3.502   0.524 -0.2347 -1.7139  0.0924
+ 7958TIP3   OH225321   1.039   5.168   6.354  0.7853 -0.3945  0.0436
+ 7958TIP3    H125322   1.001   5.135   6.436 -0.1608  0.1383 -0.1652
+ 7958TIP3    H225323   1.062   5.258   6.373 -1.2742  0.3430 -0.8429
+ 7959TIP3   OH225324   0.894   3.487   6.830  0.1255  0.1070 -0.8464
+ 7959TIP3    H125325   0.938   3.571   6.842 -0.4871  0.1242  1.6813
+ 7959TIP3    H225326   0.957   3.422   6.858 -0.6489 -0.0183  0.6395
+ 7960TIP3   OH225327   1.213   1.245   6.785  0.1192 -0.0355 -0.4553
+ 7960TIP3    H125328   1.137   1.252   6.729 -0.1162  1.9339  0.0858
+ 7960TIP3    H225329   1.225   1.150   6.797 -1.2057 -0.4054 -1.8951
+ 7961TIP3   OH225330   3.203   5.370   0.384 -0.2229 -0.6949 -0.2381
+ 7961TIP3    H125331   3.136   5.434   0.360 -1.0786 -1.4829 -0.0084
+ 7961TIP3    H225332   3.227   5.394   0.474 -0.5547 -0.7027 -0.1450
+ 7962TIP3   OH225333   0.387   1.060   4.934 -0.3515  0.4039 -0.4351
+ 7962TIP3    H125334   0.339   0.986   4.898 -2.1321  1.9668 -1.3385
+ 7962TIP3    H225335   0.345   1.138   4.896  2.0150  1.8706 -0.1911
+ 7963TIP3   OH225336   1.311   2.009   6.835 -0.5063  0.1335  0.1475
+ 7963TIP3    H125337   1.237   2.068   6.851  0.4730  1.3536  0.2537
+ 7963TIP3    H225338   1.356   2.004   6.919  0.2568  0.4153 -0.2381
+ 7964TIP3   OH225339   1.978   6.866   6.164 -0.0784 -0.4221  0.0250
+ 7964TIP3    H125340   1.929   6.948   6.159 -1.2671 -1.1526 -0.3430
+ 7964TIP3    H225341   2.041   6.881   6.235 -0.0834  0.9081 -0.2300
+ 7965TIP3   OH225342   1.524   0.625   0.466  0.7492 -0.2109 -0.1415
+ 7965TIP3    H125343   1.618   0.618   0.481  0.4462 -1.4152  1.3251
+ 7965TIP3    H225344   1.490   0.537   0.485 -0.5882  0.0359 -1.2923
+ 7966TIP3   OH225345   0.338   5.869   6.904  0.1294  0.1642 -0.8925
+ 7966TIP3    H125346   0.291   5.951   6.892  0.4673  0.4538 -0.2508
+ 7966TIP3    H225347   0.272   5.801   6.889 -0.5869  0.5687  0.3479
+ 7967TIP3   OH225348   1.351   2.308   6.671  0.0838 -0.3414 -0.0161
+ 7967TIP3    H125349   1.287   2.318   6.742 -0.2670 -2.3202 -0.0453
+ 7967TIP3    H225350   1.332   2.381   6.612 -1.8912 -0.6946  0.1650
+ 7968TIP3   OH225351   1.865   1.550   0.582  0.2830 -0.7135 -0.4939
+ 7968TIP3    H125352   1.864   1.474   0.641  0.4857  0.6872  1.3423
+ 7968TIP3    H225353   1.950   1.543   0.537  0.1047 -1.8172 -0.6942
+ 7969TIP3   OH225354   1.731   0.661   2.277  0.3413 -0.2212 -0.0148
+ 7969TIP3    H125355   1.817   0.635   2.309  0.3647 -0.8226 -0.5609
+ 7969TIP3    H225356   1.669   0.623   2.340  0.4844  0.5242  0.5852
+ 7970TIP3   OH225357   1.575   3.013   0.434 -0.8559  0.3901  0.2083
+ 7970TIP3    H125358   1.545   3.006   0.524 -1.2462 -1.3953 -0.0391
+ 7970TIP3    H225359   1.629   2.934   0.420  0.0060  1.1378 -0.8144
+ 7971TIP3   OH225360   0.650   1.230   3.768 -0.7215 -0.5131 -0.3956
+ 7971TIP3    H125361   0.592   1.273   3.704 -0.6390 -2.3402 -1.7578
+ 7971TIP3    H225362   0.590   1.180   3.824 -0.7801  0.9645  0.8832
+ 7972TIP3   OH225363   1.921   2.258   4.885 -0.3136 -0.2214  0.3650
+ 7972TIP3    H125364   1.949   2.229   4.972  0.1340  0.0907  0.3282
+ 7972TIP3    H225365   1.958   2.192   4.825  0.9302  0.5606  0.2589
+ 7973TIP3   OH225366   2.399   5.894   0.098  0.1436 -0.2124  0.1115
+ 7973TIP3    H125367   2.355   5.978   0.110 -0.0424  0.0854 -2.3930
+ 7973TIP3    H225368   2.335   5.829   0.128 -1.0102  0.3699 -1.0413
+ 7974TIP3   OH225369   1.643   6.370   6.494 -0.5586  0.4031  0.8250
+ 7974TIP3    H125370   1.711   6.423   6.536  0.6039  0.5494 -1.2033
+ 7974TIP3    H225371   1.621   6.418   6.414  0.5586 -2.1555 -1.0823
+ 7975TIP3   OH225372   0.716   0.870   5.088 -0.2813  0.2480  0.4440
+ 7975TIP3    H125373   0.680   0.914   5.165  2.4251 -1.3152  2.6887
+ 7975TIP3    H225374   0.672   0.785   5.086  1.0697 -0.4897  1.4518
+ 7976TIP3   OH225375   0.131   0.963   0.374 -0.3710 -0.6652 -0.0845
+ 7976TIP3    H125376   0.224   0.944   0.362 -0.4108 -1.2725  0.5430
+ 7976TIP3    H225377   0.087   0.916   0.304 -0.1638  0.0252 -0.6805
+ 7977TIP3   OH225378   0.881   1.127   3.640  0.3569  0.1577  0.1148
+ 7977TIP3    H125379   0.795   1.156   3.670  0.1840  1.1695 -1.3026
+ 7977TIP3    H225380   0.867   1.101   3.549  1.1048 -1.7405  0.5102
+ 7978TIP3   OH225381   3.392   1.249   5.651 -0.0866 -0.8272  0.2590
+ 7978TIP3    H125382   3.301   1.280   5.658 -0.2158 -0.9815 -0.7682
+ 7978TIP3    H225383   3.442   1.310   5.706 -0.7086 -0.3076  0.2548
+ 7979TIP3   OH225384   0.592   3.159   4.043  0.7175 -0.2664  0.0191
+ 7979TIP3    H125385   0.631   3.247   4.039  0.2905 -0.1175 -0.9091
+ 7979TIP3    H225386   0.657   3.102   4.004  0.8000 -0.3009  0.2041
+ 7980TIP3   OH225387   0.140   0.564   5.405 -0.3770 -0.3603  0.3019
+ 7980TIP3    H125388   0.180   0.478   5.391 -0.1253 -0.1205 -0.4936
+ 7980TIP3    H225389   0.209   0.627   5.383 -0.4454  0.0513  1.2292
+ 7981TIP3   OH225390   1.390   0.077   0.268  0.1419 -0.3192 -0.3219
+ 7981TIP3    H125391   1.462   0.091   0.330 -1.0343  2.9282  0.4066
+ 7981TIP3    H225392   1.432   0.040   0.190  2.3248 -0.1459  0.7306
+ 7982TIP3   OH225393   1.129   2.936   1.125  0.3110 -0.4626  0.0518
+ 7982TIP3    H125394   1.140   3.024   1.161  2.6920 -0.9584  0.5855
+ 7982TIP3    H225395   1.160   2.944   1.035 -1.0233 -0.4028 -0.4241
+ 7983TIP3   OH225396   3.496   6.477   6.197  0.2713 -0.1501 -0.0649
+ 7983TIP3    H125397   3.501   6.559   6.149 -1.0402  0.3028  0.5545
+ 7983TIP3    H225398   3.493   6.409   6.130  0.7204  0.3451 -0.5848
+ 7984TIP3   OH225399   4.965   1.780   1.064  0.2447  0.0805  0.0292
+ 7984TIP3    H125400   4.996   1.706   1.013 -0.9489 -0.4642  0.0790
+ 7984TIP3    H225401   4.890   1.746   1.112 -1.2317  1.7108 -1.0874
+ 7985TIP3   OH225402   2.481   1.739   0.192 -0.1406  0.5429 -0.4341
+ 7985TIP3    H125403   2.570   1.703   0.194  0.1321  1.2363  0.0932
+ 7985TIP3    H225404   2.469   1.777   0.279 -0.5663  1.3730 -0.8504
+ 7986TIP3   OH225405   6.852   1.194   5.574  0.2230  0.0125  0.1450
+ 7986TIP3    H125406   6.843   1.170   5.482 -0.4389  2.1307 -0.3626
+ 7986TIP3    H225407   6.769   1.167   5.613  0.4377 -0.7370  0.0824
+ 7987TIP3   OH225408   4.480   4.706   2.230 -0.1805 -0.1280 -0.3680
+ 7987TIP3    H125409   4.548   4.764   2.266 -0.6454  1.0544 -1.3533
+ 7987TIP3    H225410   4.456   4.747   2.147 -1.4747 -1.0327 -0.4446
+ 7988TIP3   OH225411   2.293   1.414   6.377 -0.4354 -0.7209  0.1545
+ 7988TIP3    H125412   2.312   1.458   6.460  0.3450 -0.8759  0.0566
+ 7988TIP3    H225413   2.277   1.323   6.401 -2.3191 -0.3641  0.3920
+ 7989TIP3   OH225414   0.367   3.968   6.485  0.2284  0.0141 -0.1597
+ 7989TIP3    H125415   0.323   3.981   6.569 -0.5378 -0.9404 -0.4016
+ 7989TIP3    H225416   0.345   3.878   6.460 -0.8193  0.7947 -2.1282
+ 7990TIP3   OH225417   6.766   6.629   1.235 -0.5989  1.0097  0.1678
+ 7990TIP3    H125418   6.707   6.666   1.302 -1.6546 -0.5629  0.1334
+ 7990TIP3    H225419   6.708   6.607   1.162  0.2582  0.8213 -0.4599
+ 7991TIP3   OH225420   2.797   2.116   0.891  0.0250 -0.1600  0.1135
+ 7991TIP3    H125421   2.882   2.101   0.933  0.3419  0.7327 -0.1910
+ 7991TIP3    H225422   2.813   2.188   0.830 -1.7450  2.4042  2.5339
+ 7992TIP3   OH225423   0.808   6.637   0.448  0.1316  0.3230 -0.2124
+ 7992TIP3    H125424   0.856   6.719   0.436 -0.2082  0.6147  0.4105
+ 7992TIP3    H225425   0.844   6.599   0.527  0.2986 -0.1382 -0.5103
+ 7993TIP3   OH225426   0.490   6.679   3.949  0.2791  0.0635  0.2405
+ 7993TIP3    H125427   0.415   6.721   3.908  0.6334 -0.9320 -1.4546
+ 7993TIP3    H225428   0.478   6.694   4.043 -1.1640  1.3211 -0.1392
+ 7994TIP3   OH225429   2.472   0.615   0.608  0.2108  0.1896  0.0430
+ 7994TIP3    H125430   2.500   0.596   0.698 -3.0229 -1.5209  0.7534
+ 7994TIP3    H225431   2.390   0.662   0.618 -1.2593 -1.8642 -2.0301
+ 7995TIP3   OH225432   0.903   1.002   5.866 -0.2184 -0.2095  0.4985
+ 7995TIP3    H125433   0.821   1.035   5.830 -0.5432 -0.0212  1.3979
+ 7995TIP3    H225434   0.894   1.013   5.961  0.8849 -0.0760  0.6003
+ 7996TIP3   OH225435   1.722   1.305   0.060 -0.1430  0.2261  0.1878
+ 7996TIP3    H125436   1.786   1.334   0.125  0.0161  0.9218 -0.2799
+ 7996TIP3    H225437   1.683   1.226   0.099 -0.9279  1.3261  1.6864
+ 7997TIP3   OH225438   5.114   4.520   6.610  0.5299  0.2673  0.1111
+ 7997TIP3    H125439   5.145   4.551   6.695 -0.0174  0.1153  0.3683
+ 7997TIP3    H225440   5.194   4.501   6.561  0.8617  1.3994  0.2010
+ 7998TIP3   OH225441   6.414   0.622   6.365 -0.6627  0.7842  0.8671
+ 7998TIP3    H125442   6.454   0.535   6.370 -0.9009  0.6113 -0.1296
+ 7998TIP3    H225443   6.383   0.639   6.453  1.5787  0.9098  1.6800
+ 7999TIP3   OH225444   1.153   2.100   1.637 -0.5413 -0.2593  0.2554
+ 7999TIP3    H125445   1.143   2.176   1.580  1.1175  0.6082  1.0958
+ 7999TIP3    H225446   1.156   2.025   1.577 -0.9406  0.4409 -0.6520
+ 8000TIP3   OH225447   1.002   1.028   0.459  0.4981  0.5983  0.2847
+ 8000TIP3    H125448   1.002   0.932   0.452 -0.1699  0.4787  1.6548
+ 8000TIP3    H225449   0.930   1.047   0.519  1.5961  1.8726  1.2307
+ 8001TIP3   OH225450   6.239   5.562   1.873  0.1198 -0.8933  0.2035
+ 8001TIP3    H125451   6.279   5.617   1.805  0.2202 -1.1486  0.0535
+ 8001TIP3    H225452   6.312   5.537   1.929 -0.4384  2.0216  2.3509
+ 8002TIP3   OH225453   0.092   0.518   5.732  0.1188  0.1836 -0.1748
+ 8002TIP3    H125454   0.157   0.584   5.708  0.1857 -0.3077 -1.3958
+ 8002TIP3    H225455   0.097   0.513   5.827  0.7351  1.2987 -0.1359
+ 8003TIP3   OH225456   2.887   0.216   0.194 -0.0551 -0.2107 -0.0517
+ 8003TIP3    H125457   2.838   0.298   0.193  1.7895  0.9084 -2.3536
+ 8003TIP3    H225458   2.893   0.193   0.287  0.9783  3.2532  0.7941
+ 8004TIP3   OH225459   2.507   4.490   6.277 -0.4018  0.0447  0.2649
+ 8004TIP3    H125460   2.574   4.437   6.319 -0.7573 -0.9514 -0.4044
+ 8004TIP3    H225461   2.460   4.531   6.350  0.9406  0.7923  0.7382
+ 8005TIP3   OH225462   0.011   6.520   0.509  0.6277 -0.7541 -0.0098
+ 8005TIP3    H125463   0.083   6.475   0.554  1.2641 -0.9263 -1.1625
+ 8005TIP3    H225464   0.055   6.587   0.457  0.0699 -1.5962 -1.6088
+ 8006TIP3   OH225465   2.049   1.854   1.138 -0.3119 -0.0670  0.3970
+ 8006TIP3    H125466   2.140   1.877   1.119 -0.4392 -0.7513 -1.0955
+ 8006TIP3    H225467   2.052   1.815   1.226  0.8763 -0.3450  0.2381
+ 8007TIP3   OH225468   2.110   0.405   5.710 -0.0044 -0.2637 -0.3238
+ 8007TIP3    H125469   2.044   0.357   5.660 -2.2488  2.7108 -0.3958
+ 8007TIP3    H225470   2.073   0.413   5.798  1.2957 -0.4667  0.2547
+ 8008TIP3   OH225471   0.864   1.484   0.981 -0.8370 -0.5493  0.3793
+ 8008TIP3    H125472   0.908   1.430   1.047 -0.3478  0.5064  0.9300
+ 8008TIP3    H225473   0.811   1.546   1.031 -2.1275 -1.1160 -0.2673
+ 8009TIP3   OH225474   0.070   0.220   6.368 -0.0407  0.1781  0.5907
+ 8009TIP3    H125475   0.012   0.171   6.311  0.5773  0.1837 -0.0551
+ 8009TIP3    H225476   0.025   0.222   6.452 -0.8027 -0.1203  0.1950
+ 8010TIP3   OH225477   0.082   6.469   6.628  0.3589  0.2277  1.1858
+ 8010TIP3    H125478   0.027   6.424   6.564  1.6736  1.7951 -1.0980
+ 8010TIP3    H225479   0.025   6.482   6.703 -1.4700 -0.9061  0.0240
+ 8011TIP3   OH225480   1.344   2.261   4.744 -0.2428 -0.2393  0.1710
+ 8011TIP3    H125481   1.414   2.302   4.795  0.1729 -1.0388  0.2520
+ 8011TIP3    H225482   1.307   2.196   4.803  0.2844 -1.2190 -0.5693
+ 8012TIP3   OH225483   3.842   6.402   1.108 -0.3217  0.0732 -0.5511
+ 8012TIP3    H125484   3.866   6.385   1.200 -0.2747  1.0008 -0.3892
+ 8012TIP3    H225485   3.747   6.394   1.107 -0.4496  1.3890 -0.1302
+ 8013TIP3   OH225486   6.679   1.732   5.090 -0.0607 -0.4132  0.5725
+ 8013TIP3    H125487   6.747   1.794   5.119  1.4216 -1.3087 -0.8874
+ 8013TIP3    H225488   6.673   1.668   5.162  0.6779 -0.3448  0.7012
+ 8014TIP3   OH225489   4.609   1.348   5.407  0.0553  0.0521  0.7171
+ 8014TIP3    H125490   4.690   1.302   5.383 -0.3478 -1.1643  1.6571
+ 8014TIP3    H225491   4.616   1.432   5.362  1.5637 -0.2764  0.2856
+ 8015TIP3   OH225492   6.449   5.482   1.158  0.1828  0.2280 -0.6933
+ 8015TIP3    H125493   6.446   5.386   1.156 -0.9196  0.2526 -0.5143
+ 8015TIP3    H225494   6.527   5.505   1.108  0.5623 -0.7731 -0.5675
+ 8016TIP3   OH225495   2.418   1.186   2.143  0.1122  0.0448  0.3181
+ 8016TIP3    H125496   2.448   1.254   2.082 -3.2005  1.0282 -0.3137
+ 8016TIP3    H225497   2.370   1.125   2.087 -1.0920 -0.2112  1.6301
+ 8017TIP3   OH225498   5.888   2.301   5.543  0.6511  0.2975 -0.3999
+ 8017TIP3    H125499   5.876   2.214   5.581  0.0879  0.1512 -0.9155
+ 8017TIP3    H225500   5.976   2.297   5.503  0.3511 -0.2615 -1.0209
+ 8018TIP3   OH225501   5.399   6.080   6.367  0.2087 -0.2441  0.4516
+ 8018TIP3    H125502   5.381   6.000   6.418  3.6482 -0.8731  0.7510
+ 8018TIP3    H225503   5.401   6.050   6.276 -0.6103 -0.0975  0.3817
+ 8019TIP3   OH225504   1.027   5.233   6.083 -0.0303 -0.7960  0.0542
+ 8019TIP3    H125505   1.004   5.154   6.035  2.0380 -1.5668  0.2695
+ 8019TIP3    H225506   1.046   5.203   6.172  1.5758 -0.1880 -0.0664
+ 8020TIP3   OH225507   6.101   1.216   4.444  0.0510 -1.0444  0.5088
+ 8020TIP3    H125508   6.079   1.208   4.536  1.1610 -2.3220  0.6783
+ 8020TIP3    H225509   6.156   1.294   4.439 -1.8885  0.3568  0.5536
+ 8021TIP3   OH225510   2.149   5.739   6.636 -0.3226  0.2266 -0.0616
+ 8021TIP3    H125511   2.090   5.810   6.613  0.0082  0.3993 -0.3706
+ 8021TIP3    H225512   2.114   5.662   6.591  0.4175  0.5971 -1.2833
+ 8022TIP3   OH225513   2.131   2.369   6.373  0.0260  0.4851  0.3476
+ 8022TIP3    H125514   2.196   2.325   6.428  0.2652  0.3214 -0.0559
+ 8022TIP3    H225515   2.153   2.340   6.284 -1.9730 -1.2976  0.4170
+ 8023TIP3   OH225516   1.020   2.132   6.293 -0.2207  0.3530 -0.1430
+ 8023TIP3    H125517   0.993   2.094   6.377 -1.6303 -0.3973 -0.9071
+ 8023TIP3    H225518   1.113   2.114   6.288 -0.3100 -0.4785  0.8227
+ 8024TIP3   OH225519   1.912   1.181   5.633 -0.2774 -0.2373  0.0332
+ 8024TIP3    H125520   1.996   1.135   5.637 -0.6347 -0.7779  1.9928
+ 8024TIP3    H225521   1.888   1.179   5.540  0.9242 -1.8106 -0.2785
+ 8025TIP3   OH225522   3.788   3.664   0.921 -0.3628 -0.5457  0.3130
+ 8025TIP3    H125523   3.788   3.624   1.007  0.3155  1.1702  1.1371
+ 8025TIP3    H225524   3.880   3.684   0.903 -0.5937 -0.0927 -0.4222
+ 8026TIP3   OH225525   2.936   4.423   5.124  0.2018 -0.1348 -0.3098
+ 8026TIP3    H125526   2.923   4.508   5.165  0.2203 -0.1504 -0.2728
+ 8026TIP3    H225527   2.918   4.438   5.031  0.0354 -0.1294 -0.2761
+ 8027TIP3   OH225528   0.185   1.408   6.586 -0.1068 -0.5453 -0.1138
+ 8027TIP3    H125529   0.253   1.403   6.653 -1.7284 -1.8381  1.4960
+ 8027TIP3    H225530   0.179   1.319   6.552 -1.8768 -0.7437  0.6825
+ 8028TIP3   OH225531   6.595   1.326   4.661  0.2395  0.1032 -0.3154
+ 8028TIP3    H125532   6.536   1.297   4.592  0.8374  1.2572 -1.3473
+ 8028TIP3    H225533   6.683   1.307   4.627  0.5168  0.0915  0.3980
+ 8029TIP3   OH225534   3.438   2.108   4.851  0.3698 -0.3135 -0.0444
+ 8029TIP3    H125535   3.418   2.164   4.926  1.9571  1.1386 -0.6718
+ 8029TIP3    H225536   3.366   2.123   4.790  1.1317  1.5792 -0.4915
+ 8030TIP3   OH225537   1.887   6.512   6.499  0.1859 -0.2740 -0.3825
+ 8030TIP3    H125538   1.874   6.507   6.594  0.3242  2.1273 -0.2073
+ 8030TIP3    H225539   1.910   6.604   6.483 -0.5912 -0.4707 -2.8246
+ 8031TIP3   OH225540   0.558   1.801   1.039  0.2860  0.3530 -0.2637
+ 8031TIP3    H125541   0.582   1.892   1.057 -0.6497  0.3258  1.1548
+ 8031TIP3    H225542   0.463   1.799   1.047  0.4008 -0.9982  0.9370
+ 8032TIP3   OH225543   1.803   1.564   5.234 -0.0367 -0.0323  0.3642
+ 8032TIP3    H125544   1.757   1.545   5.316 -0.0040  0.6613  0.5470
+ 8032TIP3    H225545   1.740   1.539   5.166  0.3531 -1.6368  0.5818
+ 8033TIP3   OH225546   6.733   6.376   6.175 -0.8648 -0.2072  0.0621
+ 8033TIP3    H125547   6.647   6.363   6.215 -0.4150  1.3395  1.5866
+ 8033TIP3    H225548   6.764   6.460   6.209  0.1264  0.5454 -2.5459
+ 8034TIP3   OH225549   0.944   0.326  -0.008 -0.6850  0.0635 -0.3922
+ 8034TIP3    H125550   1.014   0.297   0.051 -1.0445 -0.2027 -0.0984
+ 8034TIP3    H225551   0.905   0.246  -0.040 -1.1026  0.2176 -0.2672
+ 8035TIP3   OH225552   1.577   0.704   4.579  0.1638  0.7281  0.0592
+ 8035TIP3    H125553   1.514   0.668   4.516  2.1007 -3.7227  0.4756
+ 8035TIP3    H225554   1.536   0.691   4.664  1.1643 -1.4541  0.2676
+ 8036TIP3   OH225555   6.287   2.351   6.222 -0.5587  0.0624 -0.6895
+ 8036TIP3    H125556   6.227   2.388   6.287  0.9307 -0.8251  1.2433
+ 8036TIP3    H225557   6.233   2.290   6.171 -1.9384  1.4028 -0.8668
+ 8037TIP3   OH225558   1.685   1.999   6.826 -0.2256  0.7991  0.4298
+ 8037TIP3    H125559   1.767   2.047   6.836 -1.1173  2.1507  1.4849
+ 8037TIP3    H225560   1.680   1.942   6.903 -0.9721  1.8106  1.1438
+ 8038TIP3   OH225561   0.835   1.422   6.787  0.1264 -0.1529  0.3686
+ 8038TIP3    H125562   0.773   1.496   6.789 -0.6106 -0.7661  0.4833
+ 8038TIP3    H225563   0.921   1.463   6.794 -0.2691  0.7116  0.2750
+ 8039TIP3   OH225564   1.835   1.848   6.279  0.4252  0.2629 -0.4943
+ 8039TIP3    H125565   1.924   1.815   6.283  1.0152  1.7691 -0.8882
+ 8039TIP3    H225566   1.843   1.936   6.242 -0.9965  1.2634  1.4721
+ 8040TIP3   OH225567   1.147   0.661   6.606  0.5616 -0.0993 -0.5214
+ 8040TIP3    H125568   1.234   0.623   6.589 -0.5796 -2.5403 -1.1297
+ 8040TIP3    H225569   1.118   0.620   6.688 -0.5085 -0.2014 -0.9436
+ 8041TIP3   OH225570   3.955   1.060   0.125  0.0154 -0.0626 -0.4535
+ 8041TIP3    H125571   4.001   1.127   0.174  1.1794 -1.2553  0.1239
+ 8041TIP3    H225572   4.020   1.024   0.064 -0.7060 -0.3629 -1.0690
+ 8042TIP3   OH225573   2.064   1.303   4.964  1.1017 -0.0789  0.0480
+ 8042TIP3    H125574   2.081   1.368   5.032  1.3307 -0.4161  0.3116
+ 8042TIP3    H225575   1.971   1.315   4.942  1.1425  0.3302  0.1018
+ 8043TIP3   OH225576   1.660   6.228   6.758 -0.4383  0.0869  0.1239
+ 8043TIP3    H125577   1.660   6.235   6.663 -3.8970  1.7361  0.1386
+ 8043TIP3    H225578   1.725   6.292   6.787 -1.0218  1.2597 -1.0991
+ 8044TIP3   OH225579   0.242   5.335   6.700 -0.3173  0.2306 -0.4264
+ 8044TIP3    H125580   0.272   5.407   6.644 -2.2761  0.6730 -0.9426
+ 8044TIP3    H225581   0.152   5.318   6.670 -0.2411 -1.6998  0.4237
+ 8045TIP3   OH225582   2.868   2.353   3.600  0.3727 -0.4465 -0.2710
+ 8045TIP3    H125583   2.825   2.349   3.685 -0.1927 -1.7031 -0.6147
+ 8045TIP3    H225584   2.808   2.405   3.545 -0.0614 -1.0485 -0.3691
+ 8046TIP3   OH225585   3.146   1.355   5.709  0.1496 -0.2731 -0.1676
+ 8046TIP3    H125586   3.052   1.372   5.717  0.1619 -0.4814  0.4901
+ 8046TIP3    H225587   3.168   1.306   5.788  1.1677  1.3984  0.6307
+ 8047TIP3   OH225588   1.476   1.216   6.672 -0.4023  0.3934 -0.3823
+ 8047TIP3    H125589   1.385   1.242   6.687 -0.9357 -1.4605 -0.2284
+ 8047TIP3    H225590   1.521   1.297   6.648 -2.0157  1.3922 -0.1073
+ 8048TIP3   OH225591   3.115   0.144   0.054 -0.4003 -0.0941  0.0938
+ 8048TIP3    H125592   3.037   0.182   0.096 -0.0338  0.4652  0.2782
+ 8048TIP3    H225593   3.151   0.216   0.002 -0.6794 -0.6934 -0.9442
+ 8049TIP3   OH225594   1.178   0.580   0.932  0.2058  0.0974  0.5944
+ 8049TIP3    H125595   1.177   0.499   0.882  0.0038 -0.4160  1.4254
+ 8049TIP3    H225596   1.085   0.600   0.947  0.2704  0.0942  1.0044
+ 8050TIP3   OH225597   5.505   6.735   1.116 -0.1503 -0.0943  0.0182
+ 8050TIP3    H125598   5.491   6.775   1.202  2.0099 -0.8010  0.7088
+ 8050TIP3    H225599   5.513   6.810   1.056 -0.9779  0.4080  0.5236
+ 8051TIP3   OH225600   0.899   6.797   0.052  0.1360  0.0138  0.7541
+ 8051TIP3    H125601   0.883   6.812  -0.041  0.1389  3.8179  1.3154
+ 8051TIP3    H225602   0.957   6.720   0.054 -0.2668 -0.4286 -2.3309
+ 8052TIP3   OH225603   0.004   4.560   6.610  0.4286 -0.5731  0.0711
+ 8052TIP3    H125604   0.007   4.525   6.699  1.2059 -1.0410 -0.1304
+ 8052TIP3    H225605  -0.004   4.655   6.622  0.3752 -0.6470  0.6426
+ 8053TIP3   OH225606   4.140   3.439   1.243 -0.3449  0.3853 -0.2481
+ 8053TIP3    H125607   4.214   3.390   1.208 -2.1190 -2.1535 -0.5731
+ 8053TIP3    H225608   4.146   3.428   1.338  0.4176  1.2964 -0.1812
+ 8054TIP3   OH225609   1.257   6.833   6.350  0.1863 -0.2789 -0.4372
+ 8054TIP3    H125610   1.259   6.918   6.394 -1.7423 -0.5037  0.1014
+ 8054TIP3    H225611   1.320   6.780   6.400 -0.7561 -0.0331  1.0544
+ 8055TIP3   OH225612   1.147   0.207   0.148 -0.1661 -0.1322  0.1121
+ 8055TIP3    H125613   1.218   0.174   0.204  0.7249 -1.2392 -1.6194
+ 8055TIP3    H225614   1.068   0.168   0.185  0.1562  0.6956  1.7493
+ 8056TIP3   OH225615   0.805   0.287   5.541 -0.2419 -0.3356 -0.2484
+ 8056TIP3    H125616   0.721   0.247   5.562  1.2576 -3.0795  0.6803
+ 8056TIP3    H225617   0.812   0.361   5.602 -1.9184 -0.1100 -0.2970
+ 8057TIP3   OH225618   1.787   1.666   5.620 -0.0958  0.7212 -0.2678
+ 8057TIP3    H125619   1.757   1.598   5.559  1.6523 -0.1797 -0.1369
+ 8057TIP3    H225620   1.843   1.619   5.682  0.8256  2.2350  0.0434
+ 8058TIP3   OH225621   2.162   1.011   1.750  0.5177  0.3062  0.1839
+ 8058TIP3    H125622   2.152   1.095   1.796 -2.0787  0.0213  0.2139
+ 8058TIP3    H225623   2.127   1.027   1.663 -0.5937 -0.9228  0.3963
+ 8059TIP3   OH225624   0.415   5.747   0.308 -0.2964 -0.4023  0.1876
+ 8059TIP3    H125625   0.414   5.676   0.372  0.4921 -0.1898  0.4339
+ 8059TIP3    H225626   0.333   5.735   0.259 -1.0000 -0.4604  1.3436
+ 8060TIP3   OH225627   2.202   0.126   5.675  0.2160  0.0629  0.2765
+ 8060TIP3    H125628   2.113   0.156   5.660 -0.0375 -0.6286  0.3694
+ 8060TIP3    H225629   2.194   0.057   5.740  0.8016 -0.1052  0.1783
+ 8061TIP3   OH225630   1.808   4.975   5.673  0.2928  0.3539  0.3000
+ 8061TIP3    H125631   1.728   5.001   5.627  0.6821  1.2005  0.0935
+ 8061TIP3    H225632   1.877   4.982   5.607  0.6141  0.0994  0.6072
+ 8062TIP3   OH225633   5.443   1.318   4.504  0.1498  0.3129  0.0091
+ 8062TIP3    H125634   5.470   1.385   4.441 -0.2028  1.9975  1.6379
+ 8062TIP3    H225635   5.525   1.280   4.535  0.3046 -1.1895 -2.1477
+ 8063TIP3   OH225636   1.981   6.204   5.402  0.1422  0.2035  0.0319
+ 8063TIP3    H125637   1.961   6.134   5.465 -0.0358 -0.4977 -0.7902
+ 8063TIP3    H225638   2.042   6.261   5.448  2.5683 -2.0570 -0.2611
+ 8064TIP3   OH225639   1.036   0.564   5.338 -0.7974  0.3870  0.1850
+ 8064TIP3    H125640   1.090   0.572   5.259 -0.8679  0.7354  0.1701
+ 8064TIP3    H225641   1.085   0.504   5.395 -0.6612  0.2744 -0.0510
+ 8065TIP3   OH225642   1.461   6.842   6.891 -0.4014 -0.3863  0.0831
+ 8065TIP3    H125643   1.525   6.778   6.859  1.0738 -0.1567  2.4284
+ 8065TIP3    H225644   1.501   6.927   6.873 -1.7267 -0.1018 -1.7326
+ 8066TIP3   OH225645   4.799   6.669   6.386 -0.3108  0.5400  0.4940
+ 8066TIP3    H125646   4.847   6.626   6.457  0.6130  0.2185 -0.3022
+ 8066TIP3    H225647   4.825   6.761   6.391 -0.6030  0.6047  0.8509
+ 8067TIP3   OH225648   1.075   0.751   5.943 -0.4818  0.1508 -0.1543
+ 8067TIP3    H125649   0.994   0.710   5.974  0.3259 -1.4810 -0.1434
+ 8067TIP3    H225650   1.058   0.845   5.951 -2.4272 -0.1501 -0.2983
+ 8068TIP3   OH225651   0.789   0.110   6.354 -0.2564 -0.1643  0.2204
+ 8068TIP3    H125652   0.864   0.164   6.379  1.8361 -2.5353 -0.7085
+ 8068TIP3    H225653   0.753   0.154   6.276 -0.1820  1.2697  0.9790
+ 8069TIP3   OH225654   0.836   1.799   3.135 -0.4942  0.1071 -0.6862
+ 8069TIP3    H125655   0.826   1.882   3.089  1.5257 -0.2458 -1.8205
+ 8069TIP3    H225656   0.908   1.755   3.090 -0.6813 -1.7088  0.7163
+ 8070TIP3   OH225657   0.453   1.426   4.399 -0.1999 -0.0502 -0.2528
+ 8070TIP3    H125658   0.533   1.389   4.362 -0.9402 -2.2394  0.2549
+ 8070TIP3    H225659   0.445   1.385   4.485 -1.6054  0.5028 -0.1090
+ 8071TIP3   OH225660   1.231   2.251   5.924 -0.1241  0.2518 -0.0761
+ 8071TIP3    H125661   1.283   2.171   5.936  0.3550  0.8018  1.6744
+ 8071TIP3    H225662   1.143   2.220   5.904  0.2607 -0.6962 -0.3535
+ 8072TIP3   OH225663   1.757   0.748   5.496  0.7152  0.4911 -0.4100
+ 8072TIP3    H125664   1.794   0.833   5.475  0.7195  0.6742  0.3434
+ 8072TIP3    H225665   1.667   0.752   5.462  1.5476 -0.1698 -2.7733
+ 8073TIP3   OH225666   0.515   0.680   5.371 -0.3386  0.1696 -0.9086
+ 8073TIP3    H125667   0.609   0.679   5.387 -0.7730  1.9211  1.9192
+ 8073TIP3    H225668   0.498   0.597   5.325  2.2542 -1.0932  0.3305
+ 8074TIP3   OH225669   3.569   0.233   6.156 -0.6351  0.0151  0.4115
+ 8074TIP3    H125670   3.539   0.165   6.216 -2.1713 -0.7222 -1.1617
+ 8074TIP3    H225671   3.617   0.186   6.088 -1.3520  0.5259 -0.4591
+ 8075TIP3   OH225672   2.629   2.205   0.189  0.4498 -0.0417  0.1156
+ 8075TIP3    H125673   2.615   2.209   0.094  0.6398 -0.9920  0.0435
+ 8075TIP3    H225674   2.661   2.292   0.212 -0.1325  0.3684 -0.6101
+ 8076TIP3   OH225675   1.576   1.747   0.915  0.1354 -0.5514  0.2984
+ 8076TIP3    H125676   1.566   1.703   0.830  1.0602  2.9055 -1.7073
+ 8076TIP3    H225677   1.665   1.725   0.942 -0.0070 -1.3194  0.1384
+ 8077TIP3   OH225678   3.079   1.388   6.730 -0.0283 -0.8620  0.1979
+ 8077TIP3    H125679   3.034   1.458   6.684 -1.2490 -0.9768  1.1808
+ 8077TIP3    H225680   3.118   1.335   6.662  0.8257  0.7122 -0.5687
+ 8078TIP3   OH225681   1.182   2.333   0.522  0.3994 -0.0256  0.0405
+ 8078TIP3    H125682   1.165   2.309   0.431  1.1885 -0.1596 -0.0737
+ 8078TIP3    H225683   1.224   2.256   0.560 -3.7047 -1.6326  1.7067
+ 8079TIP3   OH225684   4.568   2.396   1.034  0.1283  0.0933  0.0974
+ 8079TIP3    H125685   4.599   2.461   1.096 -1.5032 -1.2807  2.4066
+ 8079TIP3    H225686   4.594   2.312   1.071  0.1025 -0.6989 -1.6376
+ 8080TIP3   OH225687   4.292   4.437   5.595  0.1513  0.1257 -0.9922
+ 8080TIP3    H125688   4.293   4.342   5.583  0.2261 -0.2957  1.9890
+ 8080TIP3    H225689   4.257   4.450   5.684 -0.3864  2.9046 -1.5606
+ 8081TIP3   OH225690   4.180   1.658   5.866  0.4508 -0.4799 -0.0607
+ 8081TIP3    H125691   4.237   1.624   5.935  1.4911 -1.7555 -1.5313
+ 8081TIP3    H225692   4.188   1.753   5.873  1.7930 -0.6271  0.5463
+ 8082TIP3   OH225693   1.485   6.711   6.491 -0.5218  0.1804  0.2106
+ 8082TIP3    H125694   1.574   6.739   6.465 -0.5165  1.0961  1.1943
+ 8082TIP3    H225695   1.492   6.692   6.584 -1.3975  0.3881  0.3195
+ 8083TIP3   OH225696   4.089   6.054   4.246 -0.5715 -0.2313 -0.4678
+ 8083TIP3    H125697   4.065   6.053   4.338  0.3834 -1.5275 -0.2296
+ 8083TIP3    H225698   4.137   6.136   4.234  0.7968 -0.8722  0.5755
+ 8084TIP3   OH225699   2.189   1.969   6.109 -0.2246  0.4486  0.2741
+ 8084TIP3    H125700   2.284   1.973   6.122 -0.2065 -1.2708  0.8147
+ 8084TIP3    H225701   2.176   1.991   6.017  0.7100  0.6245  0.1807
+ 8085TIP3   OH225702   4.934   0.352   0.857  0.4560  0.1187 -0.1436
+ 8085TIP3    H125703   4.873   0.302   0.802  1.3856 -1.6634  0.4115
+ 8085TIP3    H225704   4.912   0.326   0.947  0.8898  0.7663  0.1503
+ 8086TIP3   OH225705   4.060   1.539   4.870  0.6310 -0.0782  0.0237
+ 8086TIP3    H125706   3.983   1.579   4.829  0.8185 -1.3545 -1.6216
+ 8086TIP3    H225707   4.024   1.470   4.925  0.6603 -1.8040 -2.0632
+ 8087TIP3   OH225708   3.137   2.685   5.104 -0.3540  0.1565 -0.4307
+ 8087TIP3    H125709   3.060   2.632   5.124  0.5721 -1.0900 -0.1223
+ 8087TIP3    H225710   3.179   2.639   5.030 -0.4361  1.3599 -1.2345
+ 8088TIP3   OH225711   2.333   0.597   5.253  0.0232  0.4073  0.0521
+ 8088TIP3    H125712   2.270   0.571   5.320  0.3863 -1.4373 -0.2799
+ 8088TIP3    H225713   2.380   0.516   5.233  1.2000  1.3559 -1.0685
+ 8089TIP3   OH225714   1.425   1.951   5.684 -0.9389  0.7011 -0.5834
+ 8089TIP3    H125715   1.365   1.935   5.757  2.4529  0.5615  2.3292
+ 8089TIP3    H225716   1.456   1.864   5.658  0.1927  0.9304 -0.0635
+ 8090TIP3   OH225717   3.152   6.323   6.127 -0.6799 -0.4770 -0.4726
+ 8090TIP3    H125718   3.090   6.256   6.098  0.5477 -1.2305 -1.4009
+ 8090TIP3    H225719   3.181   6.293   6.213 -0.4532 -0.9236 -0.7031
+ 8091TIP3   OH225720   1.713   0.077   6.874 -0.5056  0.4178 -0.0383
+ 8091TIP3    H125721   1.799   0.073   6.831 -0.4706  1.8433 -0.1541
+ 8091TIP3    H225722   1.718   0.156   6.928 -0.3653 -1.6572  3.0453
+ 8092TIP3   OH225723   3.735   2.175   0.084  0.0850  0.4037 -0.1746
+ 8092TIP3    H125724   3.709   2.259   0.123 -0.2536  0.7062 -1.0379
+ 8092TIP3    H225725   3.654   2.138   0.050  0.4134  0.2651 -0.8184
+ 8093TIP3   OH225726   2.082   0.254   6.318  0.1442  0.2990 -0.0448
+ 8093TIP3    H125727   2.153   0.235   6.257  0.6263 -0.5141  0.7629
+ 8093TIP3    H225728   2.057   0.345   6.298  1.8391  0.8192  0.0844
+ 8094TIP3   OH225729   2.151   1.052   4.299 -0.7421 -0.3022 -0.9053
+ 8094TIP3    H125730   2.075   1.103   4.327 -1.5388 -1.5056 -0.8282
+ 8094TIP3    H225731   2.206   1.046   4.376 -1.3222 -0.7458 -0.5195
+ 8095TIP3   OH225732   2.493   0.783   3.536  0.5984 -0.7298  0.0665
+ 8095TIP3    H125733   2.507   0.689   3.541  2.2705 -0.4088  2.3987
+ 8095TIP3    H225734   2.411   0.798   3.584 -0.6344 -1.1614 -1.8637
+ 8096TIP3   OH225735   3.571   3.637   0.574 -0.2368  0.5779 -0.4725
+ 8096TIP3    H125736   3.660   3.603   0.565 -0.7093 -0.7405 -0.2712
+ 8096TIP3    H225737   3.577   3.701   0.645  0.3927 -0.0486  0.0402
+ 8097TIP3   OH225738   2.534   1.378   0.519  0.5807 -0.0002  0.0663
+ 8097TIP3    H125739   2.580   1.395   0.437  1.0653  0.6209  0.4601
+ 8097TIP3    H225740   2.602   1.381   0.586  0.5363 -2.6185  0.2791
+ 8098TIP3   OH225741   4.293   3.276   6.048 -0.3288 -0.3886  0.1408
+ 8098TIP3    H125742   4.269   3.361   6.010  2.5193  0.9454  1.2045
+ 8098TIP3    H225743   4.283   3.288   6.142 -1.2391 -1.6871  0.2198
+ 8099TIP3   OH225744   3.629   2.460   0.144 -0.0180  1.0919 -0.2205
+ 8099TIP3    H125745   3.540   2.493   0.134 -0.1912  0.5199 -0.5667
+ 8099TIP3    H225746   3.651   2.476   0.236 -1.5819 -1.5091  0.6405
+ 8100TIP3   OH225747   3.798   5.701   0.387  0.2281  0.0300  0.3123
+ 8100TIP3    H125748   3.777   5.762   0.317 -0.6358  0.5981  1.0491
+ 8100TIP3    H225749   3.713   5.679   0.426  0.7288  0.0313  1.4222
+ 8101TIP3   OH225750   2.670   0.456   5.346  1.2306 -0.1639 -0.3083
+ 8101TIP3    H125751   2.707   0.369   5.328 -0.3892 -0.8983 -0.1827
+ 8101TIP3    H225752   2.613   0.473   5.271  0.1431 -0.0069  0.5430
+ 8102TIP3   OH225753   2.464   2.715   1.183  0.7189  0.4920  0.0464
+ 8102TIP3    H125754   2.372   2.724   1.158  0.7436 -0.3131 -0.3247
+ 8102TIP3    H225755   2.477   2.785   1.247 -1.2995 -2.0211  3.3850
+ 8103TIP3   OH225756   4.362   5.797   4.816  0.1171  0.1459  0.5210
+ 8103TIP3    H125757   4.271   5.788   4.785 -0.1696  3.2629  0.3280
+ 8103TIP3    H225758   4.386   5.709   4.842 -2.6970 -0.9192 -0.2204
+ 8104TIP3   OH225759   2.510   4.094   6.467 -0.1525 -0.5153 -0.0546
+ 8104TIP3    H125760   2.478   4.122   6.552  0.4747 -0.0935  0.0417
+ 8104TIP3    H225761   2.468   4.009   6.453 -2.9840  0.9605 -0.8805
+ 8105TIP3   OH225762   1.655   2.416   3.743 -0.5601 -0.0348 -0.9094
+ 8105TIP3    H125763   1.611   2.385   3.823  1.6585 -0.3764  0.2196
+ 8105TIP3    H225764   1.644   2.511   3.746 -1.0539 -0.1006 -0.5298
+ 8106TIP3   OH225765   2.581   1.953   6.174  0.2581  0.3551  0.7231
+ 8106TIP3    H125766   2.526   1.940   6.096 -0.0175  0.0158  0.9718
+ 8106TIP3    H225767   2.640   2.024   6.150  1.0321 -0.5976 -0.2480
+ 8107TIP3   OH225768   4.445   2.587   6.087  0.0099 -0.0410  0.4306
+ 8107TIP3    H125769   4.407   2.502   6.108  0.0495  0.4748  2.7281
+ 8107TIP3    H225770   4.535   2.582   6.119 -0.2707  1.1698  1.4664
+ 8108TIP3   OH225771   2.037   3.957   5.284 -0.2249  0.1713 -0.2343
+ 8108TIP3    H125772   2.110   3.898   5.266  0.2824  0.5046  0.7328
+ 8108TIP3    H225773   2.049   3.985   5.374 -1.0836  0.8912 -0.3269
+ 8109TIP3   OH225774   2.796   1.838   0.352 -0.3038  0.0798 -0.1197
+ 8109TIP3    H125775   2.878   1.792   0.374 -0.7259 -0.8616 -0.4833
+ 8109TIP3    H225776   2.768   1.799   0.269  0.0908  2.0327 -1.2092
+ 8110TIP3   OH225777   1.721   4.311   6.882  0.2814 -0.0968 -0.0301
+ 8110TIP3    H125778   1.653   4.371   6.850  0.0777 -0.1818  0.2470
+ 8110TIP3    H225779   1.723   4.240   6.818  0.6767  0.3109 -0.4839
+ 8111TIP3   OH225780   3.563   1.370   5.043 -0.2070  0.1908  0.4555
+ 8111TIP3    H125781   3.579   1.311   5.117  1.2977  0.5325  0.4226
+ 8111TIP3    H225782   3.495   1.326   4.992 -1.0567 -0.1934  1.8793
+ 8112TIP3   OH225783   1.141   4.751   4.657  0.6019 -0.1826 -0.0763
+ 8112TIP3    H125784   1.210   4.749   4.723  0.4821  3.2244  0.2689
+ 8112TIP3    H225785   1.128   4.844   4.639 -2.1966 -0.8625 -1.9479
+ 8113TIP3   OH225786   2.529   0.996   5.061 -0.5002  0.4073  0.3284
+ 8113TIP3    H125787   2.534   0.900   5.063 -0.3845  0.4209  0.7371
+ 8113TIP3    H225788   2.437   1.016   5.075 -0.4721  0.3669  0.5611
+ 8114TIP3   OH225789   3.229   6.606   0.797 -0.6607  0.0802  0.6062
+ 8114TIP3    H125790   3.186   6.550   0.733  0.5905 -1.2297  0.8911
+ 8114TIP3    H225791   3.160   6.630   0.858 -1.6238  0.4491 -0.6001
+ 8115TIP3   OH225792   3.283   2.474   6.686  0.5728 -0.7487  0.5078
+ 8115TIP3    H125793   3.207   2.472   6.628  0.1222  1.1778  0.9835
+ 8115TIP3    H225794   3.348   2.524   6.638  1.4694 -2.1707  0.2150
+ 8116TIP3   OH225795   3.775   0.400   0.025  0.0236  0.2957  0.1237
+ 8116TIP3    H125796   3.738   0.469  -0.030  1.2409 -0.6957 -1.9887
+ 8116TIP3    H225797   3.707   0.382   0.089 -1.5221  1.3446 -1.1751
+ 8117TIP3   OH225798   2.520   2.243   6.081 -0.1599  0.5353  0.4640
+ 8117TIP3    H125799   2.509   2.161   6.032  0.5636  1.4060 -1.2182
+ 8117TIP3    H225800   2.601   2.230   6.131  1.1612  0.9992 -1.4870
+ 8118TIP3   OH225801   1.221   5.684   4.613  0.0725  0.4916  0.3624
+ 8118TIP3    H125802   1.294   5.680   4.675  0.2552  2.2425  0.2950
+ 8118TIP3    H225803   1.150   5.723   4.662 -0.3717  0.1365  0.0037
+ 8119TIP3   OH225804   3.773   1.913   0.910  0.7340 -0.1723 -0.3987
+ 8119TIP3    H125805   3.740   1.907   0.820 -2.5171 -0.9817  0.8138
+ 8119TIP3    H225806   3.814   1.828   0.926  0.5456 -0.3439 -0.8025
+ 8120TIP3   OH225807   2.106   3.893   6.151 -0.2150  0.3195 -0.1887
+ 8120TIP3    H125808   2.163   3.952   6.101  1.5347 -1.5548 -0.4480
+ 8120TIP3    H225809   2.076   3.829   6.086 -0.3584 -0.3627  0.5490
+ 8121TIP3   OH225810   3.403   2.024   0.633  0.1484  0.1028 -0.5520
+ 8121TIP3    H125811   3.373   2.039   0.723 -0.1878  1.1898 -0.8366
+ 8121TIP3    H225812   3.378   2.104   0.586 -0.9625 -1.0451 -1.9512
+ 8122TIP3   OH225813   1.229   0.974   6.610 -0.2337  0.4454  0.2241
+ 8122TIP3    H125814   1.223   0.889   6.653 -1.3592  0.2498 -0.3037
+ 8122TIP3    H225815   1.277   0.956   6.529 -0.6601  0.2644  0.0080
+ 8123TIP3   OH225816   0.872   1.108   1.247 -0.3667  0.1772  0.3429
+ 8123TIP3    H125817   0.948   1.165   1.258  0.0380 -0.3580  0.3311
+ 8123TIP3    H225818   0.909   1.020   1.241 -0.9132  0.0191 -0.7384
+ 8124TIP3   OH225819   3.687   6.339   0.479  0.0217 -0.0140 -0.4921
+ 8124TIP3    H125820   3.728   6.266   0.432 -1.8142 -1.1159 -0.4302
+ 8124TIP3    H225821   3.758   6.377   0.531  1.0706 -1.6018 -0.7322
+ 8125TIP3   OH225822   3.173   0.834   4.726 -0.9266 -0.2449  0.5862
+ 8125TIP3    H125823   3.148   0.847   4.635  0.5587 -0.9329  0.0629
+ 8125TIP3    H225824   3.093   0.803   4.769 -0.7535 -3.3176 -1.2333
+ 8126TIP3   OH225825   3.298   2.393   5.704 -0.2130 -0.0968 -0.3876
+ 8126TIP3    H125826   3.300   2.300   5.726  0.6366  0.1743  0.7285
+ 8126TIP3    H225827   3.360   2.402   5.632  1.4524 -0.0267  1.0321
+ 8127TIP3   OH225828   2.568   0.583   5.898 -0.1445 -0.1522 -0.4217
+ 8127TIP3    H125829   2.579   0.650   5.831 -3.2054  1.5753  0.7505
+ 8127TIP3    H225830   2.477   0.556   5.890  0.7364 -3.4431 -0.1261
+ 8128TIP3   OH225831   1.821   2.797   5.109  0.2976 -0.5204  0.4628
+ 8128TIP3    H125832   1.802   2.867   5.171  0.5287 -0.1740  0.1469
+ 8128TIP3    H225833   1.915   2.781   5.118  0.6237  0.5441 -0.8287
+ 8129TIP3   OH225834   1.962   6.724   4.911  0.4931 -0.3453 -0.1309
+ 8129TIP3    H125835   1.885   6.733   4.967  0.8138 -1.1339  0.4442
+ 8129TIP3    H225836   1.936   6.763   4.827 -0.2927  0.0123  0.2756
+ 8130TIP3   OH225837   2.020   1.301   4.085 -0.4768 -0.4241  0.0164
+ 8130TIP3    H125838   2.047   1.371   4.026  2.3093 -0.9161  0.5991
+ 8130TIP3    H225839   2.097   1.286   4.141 -1.0061 -3.9041 -0.0806
+ 8131TIP3   OH225840   3.450   2.113   5.276 -0.1850  0.1948 -0.3884
+ 8131TIP3    H125841   3.480   2.036   5.324 -0.5571  0.5071  0.3477
+ 8131TIP3    H225842   3.356   2.099   5.264 -0.1556  0.2846 -0.7145
+ 8132TIP3   OH225843   6.561   5.098   6.023  0.0243 -0.2646 -1.1860
+ 8132TIP3    H125844   6.619   5.160   5.979  0.2542  0.1926 -0.2523
+ 8132TIP3    H225845   6.473   5.122   5.994  0.1252  0.3893 -0.9619
+ 8133TIP3   OH225846   5.715   2.374   4.852 -0.4415 -0.4774 -0.4833
+ 8133TIP3    H125847   5.630   2.389   4.810 -0.5736 -0.0675 -0.0678
+ 8133TIP3    H225848   5.742   2.287   4.821 -0.6095 -0.2469 -1.2902
+ 8134TIP3   OH225849   3.644   1.996   5.045 -0.0063 -0.3542  0.4065
+ 8134TIP3    H125850   3.677   2.056   4.978 -0.5858  0.5845  0.9507
+ 8134TIP3    H225851   3.567   1.955   5.004  1.0056 -1.5370 -0.3571
+ 8135TIP3   OH225852   4.275   1.461   2.299 -0.0599 -0.2702  0.0515
+ 8135TIP3    H125853   4.204   1.400   2.280 -0.3648  0.2772 -0.6022
+ 8135TIP3    H225854   4.248   1.505   2.380 -1.2671  1.0885 -1.0450
+ 8136TIP3   OH225855   1.196   1.771   6.280  0.1781 -0.2264 -0.1176
+ 8136TIP3    H125856   1.164   1.810   6.198  0.2732  1.2181  0.5178
+ 8136TIP3    H225857   1.120   1.728   6.318 -0.2469  0.4844 -0.1674
+ 8137TIP3   OH225858   2.276   1.042   5.094  0.2746  0.2481 -0.2867
+ 8137TIP3    H125859   2.289   0.976   5.162 -1.4521 -1.6427 -1.7540
+ 8137TIP3    H225860   2.268   1.125   5.142 -0.4823 -0.9899  1.7586
+ 8138TIP3   OH225861   1.633   2.637   0.383  0.6546  0.7624  0.1971
+ 8138TIP3    H125862   1.648   2.659   0.291  1.0537  0.1607  0.1159
+ 8138TIP3    H225863   1.682   2.702   0.432  2.7508 -0.5732 -0.0491
+ 8139TIP3   OH225864   2.957   1.946   5.692  0.5411 -0.0788 -0.0946
+ 8139TIP3    H125865   2.874   1.960   5.647 -0.2586 -0.6067  1.1924
+ 8139TIP3    H225866   2.957   1.853   5.714  0.1423  0.4932  2.4634
+ 8140TIP3   OH225867   3.776   0.096   5.930  0.0175 -0.0364 -0.0509
+ 8140TIP3    H125868   3.826   0.030   5.978  0.3047  0.8883  0.9279
+ 8140TIP3    H225869   3.792   0.075   5.838  1.4162 -0.3570  0.2491
+ 8141TIP3   OH225870   4.490   0.764   0.604  0.3037  0.4124 -0.3708
+ 8141TIP3    H125871   4.551   0.707   0.651 -0.5885 -0.2477  0.0125
+ 8141TIP3    H225872   4.544   0.811   0.541  1.1838 -0.2503 -0.1178
+ 8142TIP3   OH225873   2.388   1.142   0.530  0.2883  0.0927 -0.4205
+ 8142TIP3    H125874   2.463   1.108   0.579  1.3802  3.1802  0.1437
+ 8142TIP3    H225875   2.417   1.227   0.498 -2.7657  1.0689 -0.7223
+ 8143TIP3   OH225876   0.589   1.855   4.824 -0.0485 -0.4222 -0.2159
+ 8143TIP3    H125877   0.521   1.915   4.855  0.5466  0.7210 -1.0699
+ 8143TIP3    H225878   0.544   1.792   4.768 -0.3997  0.3670 -0.8294
+ 8144TIP3   OH225879   2.666   1.919   4.382 -0.0435 -0.0825  0.7343
+ 8144TIP3    H125880   2.600   1.985   4.361  1.2346  1.4436  1.3547
+ 8144TIP3    H225881   2.697   1.888   4.297 -1.0307 -0.2629  0.4389
+ 8145TIP3   OH225882   1.947   2.960   0.270 -0.6772  0.0513 -0.3832
+ 8145TIP3    H125883   1.873   2.947   0.210 -0.6735 -0.3661 -0.2976
+ 8145TIP3    H225884   2.015   2.999   0.215 -1.2623  1.2804 -0.2637
+ 8146TIP3   OH225885   1.579   3.020   6.100 -0.2880 -0.1661 -0.1674
+ 8146TIP3    H125886   1.569   3.055   6.189  0.4634  2.3513 -1.0406
+ 8146TIP3    H225887   1.620   2.934   6.113  2.8008  1.5157  1.7883
+ 8147TIP3   OH225888   2.330   1.380   5.499 -0.6004 -0.5260 -0.0698
+ 8147TIP3    H125889   2.322   1.390   5.404 -0.0118  1.0113  0.0382
+ 8147TIP3    H225890   2.392   1.308   5.510  0.7476  0.5055 -0.8608
+ 8148TIP3   OH225891   0.726   1.173   4.808 -0.2484 -0.4004 -0.1616
+ 8148TIP3    H125892   0.781   1.238   4.850 -0.9070  0.4594 -0.6244
+ 8148TIP3    H225893   0.773   1.090   4.820  0.9825  0.2746 -0.2699
+ 8149TIP3   OH225894   3.958   5.689   6.767 -0.2065 -0.4687 -0.6219
+ 8149TIP3    H125895   3.962   5.758   6.701 -0.4079 -0.4708 -0.6344
+ 8149TIP3    H225896   4.017   5.720   6.837 -1.4298  0.4153  0.0385
+ 8150TIP3   OH225897   3.491   3.163   1.197 -0.4213 -0.7879  0.2634
+ 8150TIP3    H125898   3.430   3.091   1.210  0.7008 -1.6488  0.8645
+ 8150TIP3    H225899   3.540   3.169   1.279 -0.5903  0.7476  0.2718
+ 8151TIP3   OH225900   2.961   5.800   3.461 -0.5345  0.4649 -0.7175
+ 8151TIP3    H125901   2.948   5.842   3.546  0.1702  1.3201 -1.0282
+ 8151TIP3    H225902   3.031   5.736   3.477  0.0345  1.0702 -0.8106
+ 8152TIP3   OH225903   4.427   0.529   6.242 -0.1498 -0.0339 -0.5144
+ 8152TIP3    H125904   4.443   0.618   6.272 -1.1631  0.5464 -1.6647
+ 8152TIP3    H225905   4.401   0.538   6.151  2.5264 -1.7556 -1.5029
+ 8153TIP3   OH225906   4.092   0.741   6.416  1.0601 -0.3306 -0.2871
+ 8153TIP3    H125907   4.013   0.700   6.454  0.6709  1.6663  1.1755
+ 8153TIP3    H225908   4.113   0.687   6.341 -0.1412 -2.4957  0.8692
+ 8154TIP3   OH225909   0.489   0.468   5.979  0.4517 -0.0578  0.2767
+ 8154TIP3    H125910   0.514   0.462   5.887 -1.3987  1.0933 -0.3510
+ 8154TIP3    H225911   0.557   0.522   6.019 -1.0309  3.3159 -1.4570
+ 8155TIP3   OH225912   3.548   1.862   4.756  0.5032 -0.3464 -0.5406
+ 8155TIP3    H125913   3.514   1.951   4.769  0.1713 -0.4090 -0.9644
+ 8155TIP3    H225914   3.568   1.858   4.662 -0.9024 -1.2046 -0.8323
+ 8156TIP3   OH225915   2.278   2.850   5.143 -0.0181  0.5416  0.3172
+ 8156TIP3    H125916   2.223   2.774   5.125  0.3854  0.4914 -0.7457
+ 8156TIP3    H225917   2.355   2.837   5.088  0.4847  1.2377  0.8575
+ 8157TIP3   OH225918   1.206   6.471   4.013  0.2548  0.2073 -0.1607
+ 8157TIP3    H125919   1.255   6.553   4.015  0.7831 -0.0715 -1.2700
+ 8157TIP3    H225920   1.255   6.413   4.070  0.6613  0.2396 -0.4721
+ 8158TIP3   OH225921   3.785   2.514   5.803 -0.3374 -0.1677 -0.0698
+ 8158TIP3    H125922   3.690   2.526   5.802 -0.6082 -1.9906  1.5259
+ 8158TIP3    H225923   3.798   2.423   5.778  0.9336 -0.2475  0.8293
+ 8159TIP3   OH225924   4.519   1.724   5.547 -0.2015 -0.3184  0.0357
+ 8159TIP3    H125925   4.425   1.708   5.551  0.0900 -2.3068 -0.6739
+ 8159TIP3    H225926   4.556   1.672   5.619  0.1907  1.9449  1.5211
+ 8160TIP3   OH225927   3.304   5.585   5.565  0.4899 -0.0905  0.5011
+ 8160TIP3    H125928   3.309   5.500   5.610  1.2152 -2.2423 -3.3540
+ 8160TIP3    H225929   3.248   5.568   5.489  0.2085  3.0551 -0.0461
+ 8161TIP3   OH225930   6.602   3.367   4.387  0.4104 -0.1206 -0.0460
+ 8161TIP3    H125931   6.686   3.334   4.418  0.7210  0.5387 -0.1650
+ 8161TIP3    H225932   6.589   3.325   4.302  0.0912 -1.0711  0.4714
+ 8162TIP3   OH225933   0.773   4.273   4.922  0.1873 -0.2623  0.3295
+ 8162TIP3    H125934   0.680   4.248   4.918  0.1410  0.2333 -2.6322
+ 8162TIP3    H225935   0.778   4.333   4.997 -2.4106  1.6781 -0.9423
+ 8163TIP3   OH225936   2.109   4.614   2.122 -0.8808  0.2747  0.0145
+ 8163TIP3    H125937   2.135   4.542   2.065 -0.9976  1.0195 -1.0097
+ 8163TIP3    H225938   2.187   4.670   2.127 -0.3782 -0.5527  1.8370
+ 8164TIP3   OH225939   4.198   2.410   6.696  0.2522 -0.0443 -0.2389
+ 8164TIP3    H125940   4.180   2.482   6.757  0.3464 -1.3944  1.3961
+ 8164TIP3    H225941   4.155   2.437   6.615 -0.4098  1.4829  0.5949
+ 8165TIP3   OH225942   3.093   0.522   0.225  0.5195 -0.1693 -0.4895
+ 8165TIP3    H125943   3.111   0.433   0.257  1.2035 -0.6721 -2.2093
+ 8165TIP3    H225944   3.171   0.546   0.176  0.8073  1.8671  0.8992
+ 8166TIP3   OH225945   4.760   0.103   0.292 -0.0544  0.1353 -0.4462
+ 8166TIP3    H125946   4.803   0.134   0.212  0.9118  0.4814  0.2079
+ 8166TIP3    H225947   4.831   0.090   0.354 -0.9982  1.8992  1.0389
+ 8167TIP3   OH225948   1.390   0.732   0.868 -0.2272  0.2245 -0.2081
+ 8167TIP3    H125949   1.318   0.672   0.890 -1.2879  1.4391 -0.3133
+ 8167TIP3    H225950   1.380   0.748   0.774  1.9928 -1.9399 -0.8524
+ 8168TIP3   OH225951   3.760   0.356   5.946 -0.0346 -0.0952 -0.1269
+ 8168TIP3    H125952   3.730   0.265   5.939 -0.3449 -0.0379  0.4097
+ 8168TIP3    H225953   3.820   0.356   6.021  0.7226 -0.0507 -0.7254
+ 8169TIP3   OH225954   2.211   3.338   5.828  0.3448 -0.4615 -0.0642
+ 8169TIP3    H125955   2.280   3.274   5.846  0.0757 -0.6017  0.4878
+ 8169TIP3    H225956   2.163   3.345   5.911  0.5734  0.7083 -0.0226
+ 8170TIP3   OH225957   1.692   0.675   1.401  0.3083  0.0624  0.0273
+ 8170TIP3    H125958   1.686   0.744   1.336  0.2385 -0.1333 -0.1751
+ 8170TIP3    H225959   1.627   0.699   1.468  0.7198  0.5121  0.2649
+ 8171TIP3   OH225960   6.738   1.422   0.174 -0.1426 -0.3873 -0.2453
+ 8171TIP3    H125961   6.814   1.476   0.152 -1.4981  0.9802 -1.7145
+ 8171TIP3    H225962   6.740   1.350   0.110  0.2959 -0.7473  0.1677
+ 8172TIP3   OH225963   3.635   6.561   2.078  0.4131  0.6716 -0.0551
+ 8172TIP3    H125964   3.618   6.474   2.042 -0.0814  0.7720 -0.0705
+ 8172TIP3    H225965   3.645   6.547   2.172 -2.6590  0.9681  0.3990
+ 8173TIP3   OH225966   2.500   1.485   3.900  0.2162  0.1284  0.0949
+ 8173TIP3    H125967   2.409   1.512   3.903  0.2522  0.2675 -0.0533
+ 8173TIP3    H225968   2.510   1.446   3.813  0.9772  2.5264 -0.9366
+ 8174TIP3   OH225969   3.778   0.942   0.631  0.7070  0.3400  0.3643
+ 8174TIP3    H125970   3.772   0.970   0.540  1.5572 -0.7105 -0.0345
+ 8174TIP3    H225971   3.855   0.884   0.633  0.8881  0.6025  1.8098
+ 8175TIP3   OH225972   2.464   6.275   5.199 -0.2189  0.9583 -0.2275
+ 8175TIP3    H125973   2.500   6.187   5.188 -1.1935  0.7565 -1.9134
+ 8175TIP3    H225974   2.441   6.279   5.292 -0.4264 -0.6670 -0.1834
+ 8176TIP3   OH225975   1.642  -0.002   1.005 -0.5138 -0.2761  0.2022
+ 8176TIP3    H125976   1.691   0.080   1.012  1.1532 -1.3325  1.2548
+ 8176TIP3    H225977   1.688  -0.062   1.064 -2.7127 -1.4798  0.7181
+ 8177TIP3   OH225978   0.813   2.521   0.467 -0.0852  0.6296 -0.1506
+ 8177TIP3    H125979   0.757   2.574   0.523  1.3147 -0.3279  2.1956
+ 8177TIP3    H225980   0.864   2.584   0.417 -1.8936  1.4862 -0.9600
+ 8178TIP3   OH225981   4.232   6.722   4.851 -0.3654 -0.0592  0.2049
+ 8178TIP3    H125982   4.188   6.671   4.782 -2.0986  1.5134  0.1206
+ 8178TIP3    H225983   4.231   6.812   4.819  1.0717  0.3068  1.1617
+ 8179TIP3   OH225984   2.872   0.463   4.234 -0.2238  0.2203 -0.1511
+ 8179TIP3    H125985   2.952   0.514   4.251 -0.5014  1.5684 -2.6664
+ 8179TIP3    H225986   2.905   0.376   4.207  0.3460  0.2375  0.4679
+ 8180TIP3   OH225987   1.594   2.742   5.800  0.1211  0.1066 -0.1379
+ 8180TIP3    H125988   1.630   2.739   5.711  2.0364 -1.2915  0.6626
+ 8180TIP3    H225989   1.598   2.651   5.830  1.0486  0.8449  2.0136
+ 8181TIP3   OH225990   2.759   3.100   6.013  0.1347 -0.1265  0.1886
+ 8181TIP3    H125991   2.722   3.069   5.931 -0.3721  0.2704  0.2620
+ 8181TIP3    H225992   2.851   3.072   6.011  0.1145 -0.1379 -0.5003
+ 8182TIP3   OH225993   2.897   1.589   1.453 -0.4623 -0.3239 -0.3984
+ 8182TIP3    H125994   2.835   1.525   1.419 -2.7514  1.7050 -0.1447
+ 8182TIP3    H225995   2.919   1.643   1.377 -0.5162  0.1806 -0.0515
+ 8183TIP3   OH225996   3.338   2.138   5.804  0.3544  0.0702 -0.2255
+ 8183TIP3    H125997   3.354   2.054   5.761  0.1039  0.1858 -0.5458
+ 8183TIP3    H225998   3.407   2.144   5.870 -1.0341 -1.5226  1.4476
+ 8184TIP3   OH225999   3.042   2.481   6.498  0.2832 -1.0130  0.2053
+ 8184TIP3    H126000   3.073   2.537   6.427 -0.1126 -0.8057  0.1904
+ 8184TIP3    H226001   2.971   2.429   6.459 -2.3522  1.5873  1.3014
+ 8185TIP3   OH226002   2.849   2.782   6.314  0.0049 -0.4233 -0.2318
+ 8185TIP3    H126003   2.848   2.690   6.289 -1.1348 -0.1500 -1.2149
+ 8185TIP3    H226004   2.909   2.823   6.252 -0.2480 -0.3298 -0.4146
+ 8186TIP3   OH226005   2.355   5.266   0.467  0.3319 -0.2410  0.1337
+ 8186TIP3    H126006   2.405   5.255   0.386  0.2126 -0.7840  0.1323
+ 8186TIP3    H226007   2.292   5.194   0.466 -0.0272  0.0689  0.4465
+ 8187TIP3   OH226008   3.417   0.723   6.740  0.2808 -0.0355  0.1438
+ 8187TIP3    H126009   3.333   0.727   6.693  0.1548 -0.1010  0.3608
+ 8187TIP3    H226010   3.406   0.651   6.802  0.7822 -0.5458 -0.3637
+ 8188TIP3   OH226011   3.688   5.673   2.984 -0.3115 -0.5983 -0.3629
+ 8188TIP3    H126012   3.649   5.760   2.991  0.4692 -0.1847 -1.1177
+ 8188TIP3    H226013   3.776   5.682   3.019 -0.3670 -1.1815 -0.0612
+ 8189TIP3   OH226014   1.145   0.485   6.220 -0.3400  0.3206 -0.6107
+ 8189TIP3    H126015   1.239   0.478   6.203  0.4185 -0.2375  3.4543
+ 8189TIP3    H226016   1.113   0.395   6.210 -0.2865  0.3492 -1.0634
+ 8190TIP3   OH226017   2.340   1.011   0.036  0.8035 -0.1221 -0.5616
+ 8190TIP3    H126018   2.257   1.041   0.072  0.9293 -0.5647  0.0964
+ 8190TIP3    H226019   2.367   0.938   0.092  0.4762 -1.5222 -2.1591
+ 8191TIP3   OH226020   2.297   6.700   5.338  0.1824 -0.2787 -0.0596
+ 8191TIP3    H126021   2.265   6.754   5.265 -0.7326 -0.2490  0.3611
+ 8191TIP3    H226022   2.388   6.730   5.351  0.4495 -0.4910 -1.3683
+ 8192TIP3   OH226023   2.237   0.262   6.080  0.2907  0.4468 -0.0083
+ 8192TIP3    H126024   2.255   0.185   6.027 -1.2803 -0.6502  1.0108
+ 8192TIP3    H226025   2.187   0.319   6.021  1.0948  0.5301 -0.6280
+ 8193TIP3   OH226026   3.648   3.317   5.201 -0.3115 -0.2949 -0.9311
+ 8193TIP3    H126027   3.647   3.280   5.289 -0.9561  1.9076  0.0265
+ 8193TIP3    H226028   3.561   3.298   5.165 -0.3138 -0.5316 -0.7979
+ 8194TIP3   OH226029   1.744   6.836   6.452  0.0346 -0.3269  0.2828
+ 8194TIP3    H126030   1.791   6.770   6.401  0.0994 -0.9501  1.1518
+ 8194TIP3    H226031   1.811   6.879   6.505 -0.6776 -2.9828  3.4957
+ 8195TIP3   OH226032   4.031   2.516   5.261 -0.0813  0.2927 -0.1277
+ 8195TIP3    H126033   4.074   2.600   5.246  1.3570 -0.7855 -2.3165
+ 8195TIP3    H226034   4.081   2.476   5.332 -0.4428  1.0389  0.5617
+ 8196TIP3   OH226035   3.230   0.610   5.275 -0.1180 -0.0017 -0.3289
+ 8196TIP3    H126036   3.244   0.647   5.363 -0.9532 -1.6987  0.5276
+ 8196TIP3    H226037   3.310   0.632   5.227  0.5173  0.5787  0.9837
+ 8197TIP3   OH226038   1.053   6.369   5.557  0.4951  0.2098 -0.1745
+ 8197TIP3    H126039   1.041   6.354   5.651  2.1421 -1.9174 -0.2416
+ 8197TIP3    H226040   1.126   6.431   5.552  0.7543 -0.0806 -0.0432
+ 8198TIP3   OH226041   4.738   1.424   2.772 -0.1969  0.4329  0.0122
+ 8198TIP3    H126042   4.820   1.452   2.812 -0.2871  1.5700 -0.5811
+ 8198TIP3    H226043   4.696   1.369   2.839  0.1116  1.4947  1.1000
+ 8199TIP3   OH226044   4.855   0.562   0.291  0.5335  1.1393  0.3398
+ 8199TIP3    H126045   4.780   0.510   0.318  0.7201  0.5714 -0.2153
+ 8199TIP3    H226046   4.925   0.540   0.352  0.9449 -0.1107 -0.5649
+ 8200TIP3   OH226047   6.762   1.388   0.464 -0.3895  0.0634 -0.2535
+ 8200TIP3    H126048   6.764   1.393   0.368  0.1565  1.6027 -0.1742
+ 8200TIP3    H226049   6.807   1.306   0.484 -0.0812 -0.0321 -1.2903
+ 8201TIP3   OH226050   2.757   0.337   5.915  0.0469  0.2147 -0.2207
+ 8201TIP3    H126051   2.810   0.374   5.844 -1.0975  0.9428 -0.7114
+ 8201TIP3    H226052   2.690   0.403   5.931 -0.3279 -0.4202  0.8275
+ 8202TIP3   OH226053   3.464   3.355   0.313 -0.2211 -0.4830  0.8339
+ 8202TIP3    H126054   3.426   3.434   0.274  2.1987  0.2895 -0.0458
+ 8202TIP3    H226055   3.427   3.352   0.401 -0.7421  1.3688  0.7041
+ 8203TIP3   OH226056   2.013   0.281   5.052 -0.2711  0.3441  0.2415
+ 8203TIP3    H126057   2.003   0.376   5.060  0.5222  0.4613 -0.1206
+ 8203TIP3    H226058   2.087   0.269   4.993 -0.5474 -0.5055  0.0553
+ 8204TIP3   OH226059   5.894   1.476   6.271  0.7210 -0.1937  0.4141
+ 8204TIP3    H126060   5.890   1.381   6.256 -0.7415 -0.0584 -0.1764
+ 8204TIP3    H226061   5.875   1.486   6.365 -3.1214 -0.2948 -0.2525
+ 8205TIP3   OH226062   4.205   0.092   5.815  0.2375  0.0069 -0.1643
+ 8205TIP3    H126063   4.169   0.005   5.796  0.8531 -0.2987  0.0411
+ 8205TIP3    H226064   4.280   0.075   5.872 -0.1346  0.7365  0.5604
+ 8206TIP3   OH226065   5.101   1.153   4.132  0.0721  0.2476  0.0425
+ 8206TIP3    H126066   5.180   1.109   4.102  0.7704  1.6367 -0.1816
+ 8206TIP3    H226067   5.117   1.168   4.225  0.4174  1.2701 -0.1846
+ 8207TIP3   OH226068   4.555   1.630   5.827 -0.4140 -0.1400  0.1429
+ 8207TIP3    H126069   4.589   1.693   5.891 -2.0183  0.8406  0.0570
+ 8207TIP3    H226070   4.494   1.576   5.878 -0.9014 -0.0251 -0.3145
+ 8208TIP3   OH226071   1.158   1.792   1.612  0.2139 -0.4623  0.1507
+ 8208TIP3    H126072   1.134   1.855   1.681 -0.5729  0.5472 -1.0364
+ 8208TIP3    H226073   1.201   1.846   1.545  0.6687 -1.3969 -0.3085
+ 8209TIP3   OH226074   4.115   5.575   0.621 -0.3783 -0.2991 -0.3049
+ 8209TIP3    H126075   4.146   5.634   0.552 -1.3896 -0.1722 -0.6512
+ 8209TIP3    H226076   4.057   5.628   0.674 -0.7357 -0.7890 -0.2030
+ 8210TIP3   OH226077   3.816   1.393   0.558  0.2056  0.0572  0.0236
+ 8210TIP3    H126078   3.739   1.432   0.599  0.3996  2.2654 -1.5849
+ 8210TIP3    H226079   3.783   1.354   0.477  0.6642  0.5088 -0.3869
+ 8211TIP3   OH226080   3.153   2.821   5.720 -0.7788 -0.3604 -0.1636
+ 8211TIP3    H126081   3.179   2.808   5.811 -0.6367 -0.1682 -0.1760
+ 8211TIP3    H226082   3.236   2.834   5.673 -0.8401 -0.6209 -0.3453
+ 8212TIP3   OH226083   2.849   6.716   5.467 -0.1917  0.6731 -0.4676
+ 8212TIP3    H126084   2.873   6.625   5.479 -1.9281  0.4091  1.3173
+ 8212TIP3    H226085   2.929   6.765   5.484  0.2572 -0.4149  0.6069
+ 8213TIP3   OH226086   3.551   6.110   5.261  0.4762  0.8438 -0.4361
+ 8213TIP3    H126087   3.598   6.045   5.208  0.1844  0.5527 -0.3472
+ 8213TIP3    H226088   3.514   6.059   5.333 -0.7171  0.9057 -0.9915
+ 8214TIP3   OH226089   4.115   6.627   1.306 -0.4125 -0.4321 -0.1274
+ 8214TIP3    H126090   4.100   6.558   1.371  2.5368 -0.9208  0.1017
+ 8214TIP3    H226091   4.127   6.706   1.358 -1.4111 -0.1701 -0.2787
+ 8215TIP3   OH226092   1.668   2.488   5.903  0.3306  0.2979  0.2917
+ 8215TIP3    H126093   1.659   2.393   5.909  1.3839  0.2299  0.9875
+ 8215TIP3    H226094   1.763   2.502   5.893  0.1397  1.2487 -0.2398
+ 8216TIP3   OH226095   5.256   2.291   0.187  0.3035 -0.8675 -0.3072
+ 8216TIP3    H126096   5.261   2.356   0.257 -0.7310 -0.3474 -0.7020
+ 8216TIP3    H226097   5.319   2.320   0.122  0.4550 -0.7327 -0.0997
+ 8217TIP3   OH226098   3.636   5.561   1.433 -0.1830 -0.6514  1.1273
+ 8217TIP3    H126099   3.552   5.590   1.397 -0.1479  0.3833  1.8431
+ 8217TIP3    H226100   3.697   5.565   1.358 -0.7074 -1.1809  0.6643
+ 8218TIP3   OH226101   5.360   0.650   6.616  0.2436 -0.2337  0.1049
+ 8218TIP3    H126102   5.309   0.571   6.597 -0.2668  0.3710 -1.1131
+ 8218TIP3    H226103   5.312   0.694   6.685 -1.5809  0.9352 -1.8369
+ 8219TIP3   OH226104   6.051   1.202   4.718  0.2888 -0.4888 -0.2333
+ 8219TIP3    H126105   6.102   1.228   4.795 -0.6549 -0.1660  0.2940
+ 8219TIP3    H226106   6.043   1.107   4.725 -0.3037 -0.3963  0.3932
+ 8220TIP3   OH226107   4.931   5.015   6.792  0.4492  0.4302  0.0924
+ 8220TIP3    H126108   4.997   5.018   6.862 -1.1379 -0.3480  1.6904
+ 8220TIP3    H226109   4.866   4.952   6.825 -1.7631  2.1959 -0.8114
+ 8221TIP3   OH226110   6.418   3.265   3.962  0.1346  0.4182  0.1007
+ 8221TIP3    H126111   6.380   3.246   3.876  0.4294  0.1249  0.0329
+ 8221TIP3    H226112   6.359   3.329   4.001 -1.4588 -1.3734  0.7393
+ 8222TIP3   OH226113   3.610   0.750   4.219 -0.3593 -0.5940  0.6023
+ 8222TIP3    H126114   3.639   0.662   4.196 -0.7427 -0.4861 -0.3219
+ 8222TIP3    H226115   3.601   0.795   4.134  2.1456  1.0626  1.1561
+ 8223TIP3   OH226116   2.615   1.551   4.142  0.5691 -0.6002 -0.0639
+ 8223TIP3    H126117   2.582   1.533   4.054 -0.3224  2.9620 -0.5283
+ 8223TIP3    H226118   2.663   1.633   4.133  2.4330 -1.3496  2.3575
+ 8224TIP3   OH226119   4.540   2.907   6.099 -0.1844 -0.0594 -0.4960
+ 8224TIP3    H126120   4.554   2.815   6.078  1.1030  0.2623 -1.0718
+ 8224TIP3    H226121   4.541   2.910   6.195 -0.6646 -0.7075 -0.4682
+ 8225TIP3   OH226122   2.933   2.926   0.656  0.0970  0.3494 -0.5994
+ 8225TIP3    H126123   2.940   2.904   0.749 -0.6053  0.3391 -0.5491
+ 8225TIP3    H226124   3.021   2.909   0.621  0.4233  0.5643  0.1017
+ 8226TIP3   OH226125   6.303   2.092   5.545 -0.1061  0.1428  1.0321
+ 8226TIP3    H126126   6.291   2.087   5.450 -2.7538 -3.3901  1.4536
+ 8226TIP3    H226127   6.373   2.030   5.564  0.9193  1.3732  1.3595
+ 8227TIP3   OH226128   4.692   0.699   6.459 -0.0396  0.2319 -0.1167
+ 8227TIP3    H126129   4.598   0.715   6.472 -0.0815  0.7162 -0.9644
+ 8227TIP3    H226130   4.696   0.616   6.412 -0.1266  1.0529 -1.5909
+ 8228TIP3   OH226131   2.592   2.832   6.414  0.3310  0.0192 -0.1088
+ 8228TIP3    H126132   2.525   2.810   6.349  0.5372  0.4523 -0.4706
+ 8228TIP3    H226133   2.671   2.788   6.383  0.5261  0.5452 -0.3652
+ 8229TIP3   OH226134   4.840   1.641   6.073 -0.1614 -0.9543  0.5061
+ 8229TIP3    H126135   4.907   1.678   6.130  0.8918 -1.3801 -0.4437
+ 8229TIP3    H226136   4.875   1.652   5.985 -2.5088  1.2224 -0.2055
+ 8230TIP3   OH226137   1.866   1.251   5.360  0.1592  0.7831 -1.0517
+ 8230TIP3    H126138   1.961   1.238   5.360  0.0933  0.2841 -0.3045
+ 8230TIP3    H226139   1.837   1.213   5.277  0.3944 -0.7251 -0.4621
+ 8231TIP3   OH226140   1.960   0.568   5.086  0.0733  0.1978 -0.2838
+ 8231TIP3    H126141   1.957   0.587   5.180  0.5623 -2.0154  0.2048
+ 8231TIP3    H226142   1.869   0.555   5.061 -0.0554  0.7786 -0.1194
+ 8232TIP3   OH226143   3.375   5.783   5.962 -0.5979 -0.1449  0.1584
+ 8232TIP3    H126144   3.464   5.791   5.994 -1.3058  1.0207  1.9131
+ 8232TIP3    H226145   3.327   5.742   6.035 -1.2673 -1.8176 -1.1827
+ 8233TIP3   OH226146   5.080   1.078   6.650  0.1140  0.2852  0.4866
+ 8233TIP3    H126147   5.000   1.035   6.620 -0.2526  0.0572  1.7599
+ 8233TIP3    H226148   5.147   1.047   6.589 -0.7608  0.4856 -0.5984
+ 8234TIP3   OH226149   3.797   3.260   0.879 -0.3291  0.5692 -0.1169
+ 8234TIP3    H126150   3.823   3.184   0.932  0.6553  0.7372 -0.3450
+ 8234TIP3    H226151   3.706   3.277   0.904 -1.0549 -1.6297 -1.1835
+ 8235TIP3   OH226152   6.302   2.818   5.168  0.6234 -0.4459 -0.5584
+ 8235TIP3    H126153   6.328   2.883   5.234  1.3952 -0.0555 -1.2372
+ 8235TIP3    H226154   6.382   2.769   5.150  0.7078  0.2261 -2.0720
+ 8236TIP3   OH226155   4.944   2.799   5.293 -0.1462  0.2580 -0.4171
+ 8236TIP3    H126156   4.952   2.709   5.260 -1.1070 -0.4065  1.1262
+ 8236TIP3    H226157   5.035   2.825   5.310 -0.0213 -1.3821  1.6177
+ 8237TIP3   OH226158   4.054   1.150   1.254 -0.2636  0.1932  0.4431
+ 8237TIP3    H126159   4.028   1.108   1.172 -1.4553  1.1932  0.3018
+ 8237TIP3    H226160   4.042   1.082   1.320  2.1706 -1.1109 -0.3885
+ 8238TIP3   OH226161   3.003   1.729   4.626 -0.4220  0.8437  0.0668
+ 8238TIP3    H126162   2.965   1.812   4.597 -1.3066  1.2768  2.3663
+ 8238TIP3    H226163   2.933   1.665   4.614  0.2045  0.4594 -1.5469
+ 8239TIP3   OH226164   3.059   0.310   4.895  0.4579  0.1319 -0.0926
+ 8239TIP3    H126165   3.060   0.379   4.962 -1.9233 -0.2921  0.4318
+ 8239TIP3    H226166   3.123   0.246   4.925 -1.8231 -0.9232  2.7815
+ 8240TIP3   OH226167   5.386   1.274   6.245 -0.5812  0.4419 -0.4188
+ 8240TIP3    H126168   5.364   1.276   6.152 -1.5197  0.3546 -0.2103
+ 8240TIP3    H226169   5.462   1.331   6.253  0.1804 -0.4267 -1.4071
+ 8241TIP3   OH226170   6.036   0.927   0.466 -0.0187 -0.1575  0.1799
+ 8241TIP3    H126171   6.011   1.001   0.521 -1.1012  1.1328 -1.9731
+ 8241TIP3    H226172   5.980   0.855   0.496  0.2382  0.2009  1.5370
+ 8242TIP3   OH226173   3.240   5.920   0.814 -0.5612 -0.0683  0.2492
+ 8242TIP3    H126174   3.310   5.892   0.755 -0.2245 -0.1656  0.6908
+ 8242TIP3    H226175   3.267   6.006   0.845 -0.7554 -0.0013  0.2325
+ 8243TIP3   OH226176   3.788   0.461   3.792  0.7957 -0.2311 -0.4258
+ 8243TIP3    H126177   3.707   0.426   3.754  0.2302 -0.0978  0.6519
+ 8243TIP3    H226178   3.841   0.384   3.812 -0.1772 -0.4620  1.3355
+ 8244TIP3   OH226179   2.730   0.758   5.582  0.1353  0.0043 -0.2590
+ 8244TIP3    H126180   2.814   0.789   5.548  0.1477  0.6041  0.2959
+ 8244TIP3    H226181   2.665   0.790   5.519  0.2237  0.4997 -0.1024
+ 8245TIP3   OH226182   2.399   0.446   4.412  0.2611  0.0267  0.3518
+ 8245TIP3    H126183   2.398   0.360   4.370  0.6155  0.1475  0.0978
+ 8245TIP3    H226184   2.448   0.432   4.493 -1.0148 -0.3661  1.0749
+ 8246TIP3   OH226185   1.043   6.781   2.266  0.3118  1.0434 -0.3705
+ 8246TIP3    H126186   1.053   6.840   2.341  1.6088 -0.4960  0.7331
+ 8246TIP3    H226187   1.023   6.838   2.192  0.3407  2.7273  0.8876
+ 8247TIP3   OH226188   2.694   3.227   6.540 -0.4666 -0.3479  0.4749
+ 8247TIP3    H126189   2.661   3.146   6.577  0.9795 -1.1081  0.1401
+ 8247TIP3    H226190   2.715   3.205   6.449 -0.2199  0.4413  0.3351
+ 8248TIP3   OH226191   4.785   1.035   0.042  0.7146 -0.4257 -0.2805
+ 8248TIP3    H126192   4.772   1.070  -0.046  3.0765  0.1346 -0.4436
+ 8248TIP3    H226193   4.723   0.963   0.049 -1.2080  1.0690 -1.5052
+ 8249TIP3   OH226194   4.030   5.698   0.862 -0.2918  0.0952  0.5044
+ 8249TIP3    H126195   3.949   5.714   0.814 -0.0352  2.2255  0.7143
+ 8249TIP3    H226196   4.026   5.758   0.936  0.9104 -0.6783  1.2055
+ 8250TIP3   OH226197   3.740   6.445   6.336 -0.3860 -0.1900  0.3469
+ 8250TIP3    H126198   3.727   6.480   6.248 -0.1375 -0.7077  0.1018
+ 8250TIP3    H226199   3.679   6.371   6.342 -0.5092 -0.0653  0.6651
+ 8251TIP3   OH226200   3.976   2.215   5.510  0.4718  0.8252  0.1080
+ 8251TIP3    H126201   3.929   2.193   5.591  0.8830 -0.1922  0.0823
+ 8251TIP3    H226202   3.906   2.227   5.445  0.1964  0.1084  0.2599
+ 8252TIP3   OH226203   4.926   2.275   5.404  0.0164 -0.4335 -0.2161
+ 8252TIP3    H126204   4.942   2.240   5.316  0.1636 -1.8764  0.3733
+ 8252TIP3    H226205   4.850   2.332   5.394 -2.1016 -3.2391 -0.6311
+ 8253TIP3   OH226206   5.632   6.611   5.141 -0.2556 -0.3905 -0.1204
+ 8253TIP3    H126207   5.555   6.576   5.096  0.6490  0.0612 -2.0572
+ 8253TIP3    H226208   5.703   6.603   5.078  1.2461 -0.5165  1.5293
+ 8254TIP3   OH226209   3.392   0.955   5.682  0.5554 -0.0695 -0.1172
+ 8254TIP3    H126210   3.376   1.049   5.685  0.8712  0.0268 -1.3164
+ 8254TIP3    H226211   3.487   0.946   5.688  0.3455 -0.5340  4.4105
+ 8255TIP3   OH226212   4.730   0.254   4.841  0.1901  0.0823 -0.3641
+ 8255TIP3    H126213   4.774   0.278   4.922 -1.4349  3.3499 -0.3884
+ 8255TIP3    H226214   4.787   0.189   4.800  2.1086  0.0505  2.3167
+ 8256TIP3   OH226215   3.504   0.350   4.966  0.5052 -0.3266  0.4547
+ 8256TIP3    H126216   3.517   0.333   4.872 -1.9887 -0.9065  0.1627
+ 8256TIP3    H226217   3.548   0.434   4.982  1.5236 -0.5568 -1.0970
+ 8257TIP3   OH226218   4.169   6.862   6.328  0.1552  0.0113  0.4523
+ 8257TIP3    H126219   4.165   6.947   6.284  1.6417 -0.6767 -1.0601
+ 8257TIP3    H226220   4.214   6.880   6.411 -0.4803  0.8820  0.6093
+ 8258TIP3   OH226221   3.754   1.003   3.311 -0.7906 -0.0256  0.5707
+ 8258TIP3    H126222   3.752   1.092   3.276 -1.0981 -0.0535  0.5186
+ 8258TIP3    H226223   3.757   0.947   3.234  1.2072 -0.0138  0.6225
+ 8259TIP3   OH226224   5.379   5.393   0.146 -0.0344 -0.3846  0.0693
+ 8259TIP3    H126225   5.290   5.382   0.113  0.9021  0.1563 -2.7472
+ 8259TIP3    H226226   5.433   5.337   0.091  1.5419  0.1928  0.9790
+ 8260TIP3   OH226227   5.567   1.373   0.996  0.6705  0.1676 -0.7712
+ 8260TIP3    H126228   5.540   1.451   1.045  0.7694  0.2126 -0.7889
+ 8260TIP3    H226229   5.567   1.303   1.062 -0.7311 -0.0979 -1.0313
+ 8261TIP3   OH226230   4.924   5.975   5.931  0.1787  0.3344 -0.2464
+ 8261TIP3    H126231   4.895   5.936   6.014  0.2226  0.8093 -0.0076
+ 8261TIP3    H226232   4.890   6.064   5.933 -1.8150 -0.3404 -1.7677
+ 8262TIP3   OH226233   2.472   2.426   6.260 -0.6305  0.6948 -0.4009
+ 8262TIP3    H126234   2.468   2.348   6.205  0.4543  0.9983 -0.9166
+ 8262TIP3    H226235   2.448   2.498   6.202 -0.6217  0.8692 -0.1881
+ 8263TIP3   OH226236   4.263   1.622   5.600 -0.1113  0.3862 -0.1601
+ 8263TIP3    H126237   4.271   1.628   5.695  0.5829  0.1740 -0.2040
+ 8263TIP3    H226238   4.248   1.529   5.582 -0.4554  0.4582 -0.2387
+ 8264TIP3   OH226239   3.838   1.194   3.762  0.2689  0.1300  0.2585
+ 8264TIP3    H126240   3.770   1.180   3.696  0.0113  0.1382  0.5203
+ 8264TIP3    H226241   3.864   1.106   3.787  1.3795  0.1140 -0.8818
+ 8265TIP3   OH226242   5.806   0.616   4.190 -0.4101  0.1641  0.1127
+ 8265TIP3    H126243   5.838   0.620   4.280 -2.0410  0.1115  0.7048
+ 8265TIP3    H226244   5.764   0.701   4.175 -2.4128 -0.7606  0.2967
+ 8266TIP3   OH226245   5.985   6.480   0.132  0.7972  0.2790  0.0301
+ 8266TIP3    H126246   5.969   6.386   0.137 -0.0280  0.3612 -0.9443
+ 8266TIP3    H226247   5.969   6.502   0.040  0.2720  1.4936  0.4042
+ 8267TIP3   OH226248   0.466   1.669   5.597  0.3557 -0.1329  0.2163
+ 8267TIP3    H126249   0.370   1.670   5.592  0.2385  0.3472  1.9666
+ 8267TIP3    H226250   0.495   1.699   5.511 -1.0904  0.4445 -0.0877
+ 8268TIP3   OH226251   4.857   0.498   5.270  0.4751  0.4553  0.1735
+ 8268TIP3    H126252   4.815   0.414   5.290  0.5714  0.3321 -0.1322
+ 8268TIP3    H226253   4.949   0.484   5.292  0.2744  0.8774  1.2962
+ 8269TIP3   OH226254   4.518   2.228   4.610  0.0465  0.3792 -0.0358
+ 8269TIP3    H126255   4.551   2.194   4.693  0.4790  0.4897 -0.1628
+ 8269TIP3    H226256   4.596   2.243   4.558 -0.3218 -1.3988 -1.1327
+ 8270TIP3   OH226257   5.863   1.184   5.064 -0.0428  0.0815  0.5143
+ 8270TIP3    H126258   5.895   1.203   5.152 -0.1569  0.4049  0.4833
+ 8270TIP3    H226259   5.802   1.111   5.075 -0.1352  0.1910  0.7145
+ 8271TIP3   OH226260   4.458   1.816   5.266 -0.7135 -0.2386  0.2705
+ 8271TIP3    H126261   4.448   1.773   5.351 -1.2031  1.0553  0.8893
+ 8271TIP3    H226262   4.374   1.804   5.222 -1.9856  2.7539  1.7377
+ 8272TIP3   OH226263   2.257   6.683   5.651 -0.3441  0.1436  0.4684
+ 8272TIP3    H126264   2.340   6.729   5.661 -0.6647  0.4514  1.7045
+ 8272TIP3    H226265   2.260   6.647   5.562  1.4538 -0.5225  0.7860
+ 8273TIP3   OH226266   4.727   2.260   4.433 -0.0251 -0.1028  0.4882
+ 8273TIP3    H126267   4.815   2.284   4.465  0.0406  1.1407 -0.6148
+ 8273TIP3    H226268   4.744   2.196   4.364  0.0762  0.9931 -0.5106
+ 8274TIP3   OH226269   6.606   1.466   0.937  0.2031 -0.0079  0.7756
+ 8274TIP3    H126270   6.561   1.546   0.912  0.4611 -0.1744 -0.2699
+ 8274TIP3    H226271   6.690   1.470   0.891  1.0556  0.0595  2.2944
+ 8275TIP3   OH226272   2.312   0.854   5.325  0.5127 -0.1272  0.7793
+ 8275TIP3    H126273   2.338   0.828   5.413  1.1274 -0.0016  0.6354
+ 8275TIP3    H226274   2.311   0.773   5.275 -1.8982 -0.5183  1.4068
+ 8276TIP3   OH226275   5.149   3.429   6.619  0.1276  0.6539  0.0183
+ 8276TIP3    H126276   5.078   3.471   6.666 -1.2254 -0.0954 -1.3033
+ 8276TIP3    H226277   5.194   3.375   6.684 -2.1579 -0.9470  0.3159
+ 8277TIP3   OH226278   4.435   5.948   6.751 -0.0766  0.0800  0.1245
+ 8277TIP3    H126279   4.467   6.025   6.798  0.2783  0.2131 -0.3290
+ 8277TIP3    H226280   4.471   5.958   6.663  2.1300 -1.9214  0.7412
+ 8278TIP3   OH226281   1.927   1.210   3.672  0.1846  0.5371 -0.1661
+ 8278TIP3    H126282   2.022   1.209   3.656  0.2680 -1.0981  0.2886
+ 8278TIP3    H226283   1.890   1.163   3.597  0.0623 -1.8522  1.3177
+ 8279TIP3   OH226284   5.193   1.526   4.518  0.6383 -0.2258 -0.1380
+ 8279TIP3    H126285   5.271   1.479   4.488 -1.2509 -2.6511 -1.3614
+ 8279TIP3    H226286   5.130   1.516   4.447 -1.1801  0.8024  1.2937
+ 8280TIP3   OH226287   2.236   6.234   3.373 -0.1842 -0.2833 -0.1130
+ 8280TIP3    H126288   2.217   6.328   3.368 -0.0969 -0.1447  1.9082
+ 8280TIP3    H226289   2.319   6.224   3.326  0.9929  1.0332  1.5903
+ 8281TIP3   OH226290   6.271   0.237   6.759 -0.1039 -0.2371  0.3772
+ 8281TIP3    H126291   6.239   0.148   6.764  1.7251 -0.9831 -0.6550
+ 8281TIP3    H226292   6.358   0.229   6.719 -0.2732  2.0711 -0.5442
+ 8282TIP3   OH226293   3.979   6.310   0.547  0.3031  0.3586 -0.4592
+ 8282TIP3    H126294   4.021   6.305   0.634 -0.4948  0.1888 -0.0780
+ 8282TIP3    H226295   4.002   6.227   0.505  1.0240  0.6096 -0.5634
+ 8283TIP3   OH226296   4.655   1.691   1.027 -0.0138  0.4883  0.2231
+ 8283TIP3    H126297   4.705   1.714   0.948 -0.1005  1.8663  0.5574
+ 8283TIP3    H226298   4.576   1.648   0.994 -0.2716  1.4754 -0.4756
+ 8284TIP3   OH226299   4.089   2.494   6.451 -0.5318 -0.3800  0.3166
+ 8284TIP3    H126300   4.056   2.470   6.364  1.8402  2.4257 -1.4841
+ 8284TIP3    H226301   4.063   2.585   6.462 -1.1702 -0.8348  2.7861
+ 8285TIP3   OH226302   3.226   1.205   6.474  0.0338 -0.2899  0.3198
+ 8285TIP3    H126303   3.244   1.226   6.382  0.7094  0.4609  0.6127
+ 8285TIP3    H226304   3.312   1.184   6.510 -0.4974 -2.6580  0.2829
+ 8286TIP3   OH226305   4.195   2.053   3.975  0.2319 -0.0866  0.9793
+ 8286TIP3    H126306   4.109   2.013   3.966 -1.1779  2.8041  0.9297
+ 8286TIP3    H226307   4.179   2.133   4.025  2.5708  1.4442 -0.6015
+ 8287TIP3   OH226308   4.410   5.424   5.841 -0.0673  0.3915  0.0648
+ 8287TIP3    H126309   4.493   5.429   5.888 -0.1613  0.5269  0.2175
+ 8287TIP3    H226310   4.345   5.399   5.907 -0.4638  2.0913  0.3373
+ 8288TIP3   OH226311   1.606   1.152   4.836  0.3140 -0.3948  0.1374
+ 8288TIP3    H126312   1.521   1.158   4.878  0.2520 -2.1422  0.2877
+ 8288TIP3    H226313   1.605   1.068   4.790  1.7249 -0.1569 -0.3711
+ 8289TIP3   OH226314   3.460   0.117   5.692 -0.3762  0.1145 -0.2387
+ 8289TIP3    H126315   3.398   0.071   5.749 -0.4473 -0.2096 -0.5748
+ 8289TIP3    H226316   3.546   0.090   5.723 -0.4257 -2.1600 -1.9670
+ 8290TIP3   OH226317   4.451   0.487   5.105  0.2136  0.2412  0.1006
+ 8290TIP3    H126318   4.505   0.564   5.086 -0.7839  0.7360 -0.8293
+ 8290TIP3    H226319   4.362   0.522   5.115 -0.4036 -0.8736 -1.2196
+ 8291TIP3   OH226320   3.595   3.432   6.219  0.6016  0.4435  0.1804
+ 8291TIP3    H126321   3.572   3.350   6.174 -0.7545  1.0297 -0.2334
+ 8291TIP3    H226322   3.691   3.433   6.219  0.6594  0.1950 -2.3330
+ 8292TIP3   OH226323   6.803   0.100   4.162  0.4733  0.3546  0.1347
+ 8292TIP3    H126324   6.758   0.020   4.189  3.1843 -1.3319 -0.1806
+ 8292TIP3    H226325   6.740   0.145   4.106 -0.4054 -2.5786 -1.3542
+ 8293TIP3   OH226326   3.885   1.043   6.213 -0.5817  0.7748  0.0632
+ 8293TIP3    H126327   3.930   1.091   6.283 -0.4087 -0.7898  1.0443
+ 8293TIP3    H226328   3.860   0.960   6.253 -0.8436  0.0228 -1.6294
+ 8294TIP3   OH226329   2.604   2.640   0.002  0.0757 -1.0648  0.2929
+ 8294TIP3    H126330   2.638   2.675   0.085  1.6129 -1.4007 -0.1796
+ 8294TIP3    H226331   2.530   2.584   0.028  0.2449 -0.7833  1.4011
+ 8295TIP3   OH226332   3.996   6.700   6.611  0.0511  0.3123 -0.3539
+ 8295TIP3    H126333   3.928   6.729   6.550 -0.5403  0.7373  0.4853
+ 8295TIP3    H226334   3.949   6.682   6.693  0.9416  0.6187  0.2416
+ 8296TIP3   OH226335   0.654   1.359   5.948  0.7554  0.1357 -0.6670
+ 8296TIP3    H126336   0.604   1.432   5.911 -2.5520 -1.1574  1.0637
+ 8296TIP3    H226337   0.611   1.341   6.032  4.9412 -0.2467  1.5281
+ 8297TIP3   OH226338   4.351   6.395   0.634  0.4443 -0.3181 -0.7126
+ 8297TIP3    H126339   4.277   6.401   0.695  1.5264 -0.9930  0.7044
+ 8297TIP3    H226340   4.326   6.450   0.560 -0.6592  1.0240  0.6181
+ 8298TIP3   OH226341   5.044   1.759   0.487  0.2070 -0.0725  0.0406
+ 8298TIP3    H126342   5.094   1.758   0.406 -1.2514  0.9871 -0.9116
+ 8298TIP3    H226343   5.107   1.785   0.554  1.5152 -1.3267 -0.6816
+ 8299TIP3   OH226344   6.335   0.868   4.078 -0.4497  0.5099 -0.4378
+ 8299TIP3    H126345   6.357   0.945   4.026 -0.1812  1.3027  0.8192
+ 8299TIP3    H226346   6.308   0.903   4.163  0.3968 -0.8137  0.4085
+ 8300TIP3   OH226347   4.499   0.159   3.692  0.2283 -0.4801  0.0163
+ 8300TIP3    H126348   4.563   0.204   3.747  0.6463 -0.9198 -0.1095
+ 8300TIP3    H226349   4.551   0.108   3.631 -0.2270  0.5854 -1.2918
+ 8301TIP3   OH226350   3.451   5.221   6.818  0.3367  0.8592  0.2043
+ 8301TIP3    H126351   3.492   5.262   6.894  1.2608 -0.2691  0.3319
+ 8301TIP3    H226352   3.490   5.264   6.743 -0.8143  2.2046  0.3477
+ 8302TIP3   OH226353   6.137   1.521   4.892 -0.1121 -0.1475  0.0884
+ 8302TIP3    H126354   6.183   1.562   4.818 -0.5922 -1.1881 -0.7921
+ 8302TIP3    H226355   6.183   1.554   4.969 -1.4453  3.2926 -0.5004
+ 8303TIP3   OH226356   5.163   5.159   6.658  0.2282  0.4396 -0.0519
+ 8303TIP3    H126357   5.087   5.112   6.624  0.2463  0.1818  0.2534
+ 8303TIP3    H226358   5.170   5.237   6.604  0.1640  0.1163 -0.5333
+ 8304TIP3   OH226359   6.041   1.093   5.727 -0.5716 -0.5491 -0.3404
+ 8304TIP3    H126360   5.977   1.030   5.693 -1.0272  0.0849 -0.6718
+ 8304TIP3    H226361   6.005   1.178   5.704 -0.4773 -0.1290  1.0126
+ 8305TIP3   OH226362   3.920   5.767   4.659  0.1083 -0.1819  0.2718
+ 8305TIP3    H126363   3.848   5.707   4.678  0.2481 -0.5520 -0.3471
+ 8305TIP3    H226364   3.990   5.711   4.626  0.2491  0.3106 -0.2851
+ 8306TIP3   OH226365   3.977   6.260   6.281 -0.1021  0.1165  0.5349
+ 8306TIP3    H126366   4.018   6.242   6.196  0.0234  0.5329  0.5057
+ 8306TIP3    H226367   3.927   6.340   6.267  1.6357  1.3933  1.4224
+ 8307TIP3   OH226368   3.206   6.854   5.145 -0.0031  0.2490 -0.5682
+ 8307TIP3    H126369   3.170   6.846   5.057  0.5435 -0.1925 -0.7532
+ 8307TIP3    H226370   3.300   6.841   5.134  0.0223 -0.2065  0.1311
+ 8308TIP3   OH226371   5.157   1.235   2.910  0.2884 -0.2223  0.4144
+ 8308TIP3    H126372   5.201   1.156   2.878 -1.8560 -0.9080 -0.9187
+ 8308TIP3    H226373   5.124   1.277   2.831  3.8275  3.5817  0.7949
+ 8309TIP3   OH226374   5.089   6.008   6.487  0.5163  0.0416  0.1321
+ 8309TIP3    H126375   5.136   5.978   6.565  0.0593 -2.6070 -0.5996
+ 8309TIP3    H226376   4.997   6.012   6.514  0.3816 -0.6946 -0.2320
+ 8310TIP3   OH226377   6.312   0.447   0.320 -0.3404 -0.2255  0.1288
+ 8310TIP3    H126378   6.228   0.491   0.331 -0.5891 -0.3840 -1.0580
+ 8310TIP3    H226379   6.344   0.479   0.235 -0.0012 -1.4576 -0.2114
+ 8311TIP3   OH226380   6.805   3.616   0.633  0.6559 -0.5203 -0.4651
+ 8311TIP3    H126381   6.753   3.618   0.713  0.2552  0.6782 -0.7519
+ 8311TIP3    H226382   6.874   3.552   0.651 -0.0923 -1.0827  0.4227
+ 8312TIP3   OH226383   6.424   6.039   0.524 -0.0329 -0.2561  0.0702
+ 8312TIP3    H126384   6.409   6.098   0.598 -1.7058 -0.4505 -0.1080
+ 8312TIP3    H226385   6.346   5.985   0.520  0.2599 -0.5786 -1.5487
+ 8313TIP3   OH226386   5.325   2.818   1.485 -0.0399  0.3916 -0.3596
+ 8313TIP3    H126387   5.409   2.807   1.530 -1.0317  2.2613  2.0665
+ 8313TIP3    H226388   5.262   2.775   1.542 -1.2451  2.2629 -0.2497
+ 8314TIP3   OH226389   4.025   1.275   6.372  0.0054  0.3458 -0.0819
+ 8314TIP3    H126390   4.086   1.202   6.379  3.3533  3.0472  0.5589
+ 8314TIP3    H226391   4.063   1.344   6.427 -3.1120  2.5127 -0.4836
+ 8315TIP3   OH226392   5.138   1.135   6.015 -0.0646  0.2878 -0.8232
+ 8315TIP3    H126393   5.089   1.164   5.938  0.6256 -0.3290 -1.5106
+ 8315TIP3    H226394   5.168   1.047   5.992  2.3428  1.0819 -0.9115
+ 8316TIP3   OH226395   5.869   1.631   4.915  0.3037  0.1790  0.0234
+ 8316TIP3    H126396   5.797   1.610   4.856 -0.5393 -0.8162  1.4050
+ 8316TIP3    H226397   5.933   1.562   4.899  1.5441  1.7108 -2.0761
+ 8317TIP3   OH226398   3.356   6.233   6.609 -0.1406  0.3511  0.0471
+ 8317TIP3    H126399   3.294   6.160   6.615  0.6834 -0.4050 -0.4951
+ 8317TIP3    H226400   3.400   6.234   6.695  0.0697 -0.0016 -0.0535
+ 8318TIP3   OH226401   2.577   0.114   5.960 -0.0643  0.2651  0.0878
+ 8318TIP3    H126402   2.507   0.123   5.896  0.0399  0.6333  0.0261
+ 8318TIP3    H226403   2.644   0.177   5.932 -0.0360  0.4568  0.5724
+ 8319TIP3   OH226404   4.487   1.467   0.243 -0.0368  0.4483 -0.4902
+ 8319TIP3    H126405   4.461   1.386   0.287  0.5201  0.1898 -0.6386
+ 8319TIP3    H226406   4.404   1.512   0.226 -0.4155 -0.4829 -1.1669
+ 8320TIP3   OH226407   3.394   1.127   0.253 -0.1401 -0.5762 -0.0717
+ 8320TIP3    H126408   3.427   1.037   0.250 -2.0200 -1.2841 -0.4934
+ 8320TIP3    H226409   3.355   1.141   0.167 -2.8526 -0.5729  1.1016
+ 8321TIP3   OH226410   4.353   1.510   6.010  0.8368 -0.3365 -0.1669
+ 8321TIP3    H126411   4.305   1.433   5.980 -0.1554 -0.5283  1.8163
+ 8321TIP3    H226412   4.358   1.500   6.105  0.7097  2.0229  0.1301
+ 8322TIP3   OH226413   6.553   6.024   5.374 -0.7749  0.2773 -0.1286
+ 8322TIP3    H126414   6.461   6.023   5.399 -0.7852  0.9014 -0.1486
+ 8322TIP3    H226415   6.581   5.932   5.382 -0.8740  0.3995  1.8342
+ 8323TIP3   OH226416   3.656   2.236   6.461 -0.2505  0.2007 -0.5020
+ 8323TIP3    H126417   3.677   2.272   6.547  3.3606 -1.2919 -0.6396
+ 8323TIP3    H226418   3.601   2.160   6.480 -0.1593  0.3536  0.4272
+ 8324TIP3   OH226419   5.583   1.359   4.221  0.4119 -0.3736 -0.8420
+ 8324TIP3    H126420   5.665   1.379   4.266 -0.4002 -1.3006  1.1317
+ 8324TIP3    H226421   5.570   1.265   4.234 -0.6206 -0.3706 -1.7250
+ 8325TIP3   OH226422   3.895   0.922   4.446  0.3245 -0.2798  0.0615
+ 8325TIP3    H126423   3.879   1.006   4.404  0.3827  0.1470  0.8855
+ 8325TIP3    H226424   3.813   0.874   4.436  1.1888 -1.2728 -2.9867
+ 8326TIP3   OH226425   0.114   0.724   0.848  0.5392  0.1931  1.0168
+ 8326TIP3    H126426   0.142   0.769   0.929  1.1099  0.3640  0.7259
+ 8326TIP3    H226427   0.167   0.764   0.779 -0.4556  0.5533  0.4471
+ 8327TIP3   OH226428   0.425   1.763   0.732  0.3570 -0.0409  0.1670
+ 8327TIP3    H126429   0.455   1.679   0.767 -0.1205  0.2162  1.2117
+ 8327TIP3    H226430   0.464   1.828   0.791  1.1841  0.5068 -0.9677
+ 8328TIP3   OH226431   3.491   0.806   4.471 -0.0371  0.4305  0.0192
+ 8328TIP3    H126432   3.533   0.789   4.387 -0.2675 -1.8232  0.3149
+ 8328TIP3    H226433   3.444   0.888   4.459 -1.5461 -0.7518 -2.6198
+ 8329TIP3   OH226434   6.190   2.239   5.722  0.2738 -0.0919  0.7084
+ 8329TIP3    H126435   6.219   2.178   5.655  0.4185 -0.6380  1.2563
+ 8329TIP3    H226436   6.105   2.205   5.750 -0.9875  1.5714 -0.9794
+ 8330TIP3   OH226437   0.285   2.990   5.939  0.0247 -0.2845  0.1351
+ 8330TIP3    H126438   0.208   3.016   5.989 -0.9141  0.5035 -1.7016
+ 8330TIP3    H226439   0.294   3.057   5.872  0.6216 -1.9022 -1.4420
+ 8331TIP3   OH226440   1.812   2.992   6.913 -0.4556  0.0710 -0.0155
+ 8331TIP3    H126441   1.758   3.071   6.915  1.0762  1.1353  0.1394
+ 8331TIP3    H226442   1.759   2.927   6.867 -1.8777  1.0745  0.1870
+ 8332TIP3   OH226443   6.149   2.173   1.280  0.5301  0.9131 -0.1843
+ 8332TIP3    H126444   6.154   2.240   1.349  0.8117  0.4921  0.2045
+ 8332TIP3    H226445   6.072   2.121   1.302 -0.0441  1.4751 -0.8259
+ 8333TIP3   OH226446   4.528   2.354   0.108  0.1279  0.6717 -0.0456
+ 8333TIP3    H126447   4.453   2.351   0.167  0.1321 -3.6838 -0.1283
+ 8333TIP3    H226448   4.604   2.343   0.165  0.2754 -1.0383 -0.5278
+ 8334TIP3   OH226449   1.482   2.451   6.333 -0.0653 -0.6788 -0.5618
+ 8334TIP3    H126450   1.394   2.453   6.371  0.4565 -2.1199  0.7679
+ 8334TIP3    H226451   1.467   2.439   6.239 -1.3388  1.6619 -0.6870
+ 8335TIP3   OH226452   0.844   0.251   0.640 -1.0269 -0.0615 -0.1885
+ 8335TIP3    H126453   0.795   0.197   0.577 -0.1672 -0.3009 -0.6587
+ 8335TIP3    H226454   0.874   0.190   0.707 -2.2355  0.2468  0.6561
+ 8336TIP3   OH226455   5.865   5.157   5.448  0.4716  0.0755  0.6506
+ 8336TIP3    H126456   5.870   5.217   5.522 -1.2373 -0.0052  0.8515
+ 8336TIP3    H226457   5.843   5.072   5.488 -1.3360  0.2124 -0.0093
+ 8337TIP3   OH226458   4.968   5.071   5.638  0.1186  0.3337  0.2418
+ 8337TIP3    H126459   4.962   5.104   5.549  1.4145 -0.6022 -0.2132
+ 8337TIP3    H226460   5.062   5.057   5.653  0.0314  1.5403  2.1536
+ 8338TIP3   OH226461   5.749   1.932   1.112  0.2435  0.3683  0.0546
+ 8338TIP3    H126462   5.774   1.842   1.136  1.6337  0.7310  0.0433
+ 8338TIP3    H226463   5.803   1.952   1.036 -2.0370  0.2667 -1.6200
+ 8339TIP3   OH226464   5.573   6.323   6.470 -0.3559  0.1448  0.5324
+ 8339TIP3    H126465   5.523   6.264   6.414  1.8924 -0.9176 -0.4529
+ 8339TIP3    H226466   5.538   6.410   6.451 -1.0300 -0.4321 -0.9884
+ 8340TIP3   OH226467   1.622   0.954   5.923  0.3029 -0.3087 -0.0987
+ 8340TIP3    H126468   1.653   1.043   5.909 -0.2090 -0.0963  0.1089
+ 8340TIP3    H226469   1.681   0.919   5.990  0.0603  0.1158  0.3396
+ 8341TIP3   OH226470   0.757   1.901   6.823  0.0769  0.1351  0.2860
+ 8341TIP3    H126471   0.729   1.925   6.911 -0.8560 -0.8902  0.2836
+ 8341TIP3    H226472   0.853   1.896   6.829  0.2418  2.8569  0.5044
+ 8342TIP3   OH226473   1.247   1.485   5.701 -0.1269  0.0427 -0.3001
+ 8342TIP3    H126474   1.255   1.505   5.607  1.6059 -2.0732 -0.6291
+ 8342TIP3    H226475   1.160   1.446   5.709 -0.2179  0.0679 -1.0559
+ 8343TIP3   OH226476   0.096   0.826   0.035  0.3564  0.4719 -0.2223
+ 8343TIP3    H126477   0.029   0.810   0.101  0.8113  1.2038  0.4249
+ 8343TIP3    H226478   0.155   0.751   0.042  0.7927  0.8913  0.7007
+ 8344TIP3   OH226479   0.641   0.732   4.437  0.1427  0.3661 -0.6210
+ 8344TIP3    H126480   0.649   0.699   4.527 -0.9345 -0.5102 -0.8305
+ 8344TIP3    H226481   0.705   0.803   4.432  1.1663 -0.4573  0.4218
+ 8345TIP3   OH226482   0.642   2.033   0.681 -0.1643  0.0920  0.5296
+ 8345TIP3    H126483   0.706   2.045   0.751  0.5436 -0.4680 -0.0126
+ 8345TIP3    H226484   0.662   2.102   0.618 -1.7941  1.5850  1.5777
+ 8346TIP3   OH226485   0.072   2.243   6.050  0.2024  0.0376 -0.0730
+ 8346TIP3    H126486   0.024   2.186   6.110 -0.0350 -1.1739 -1.3955
+ 8346TIP3    H226487   0.024   2.326   6.053 -0.1247 -0.1802  1.0019
+ 8347TIP3   OH226488   5.339   0.230   0.642 -0.1303  0.0114  0.1459
+ 8347TIP3    H126489   5.284   0.240   0.720 -0.7421  0.8458 -0.3896
+ 8347TIP3    H226490   5.428   0.225   0.677 -0.3848  0.5216  0.8919
+ 8348TIP3   OH226491   0.635   3.664   1.339  0.1778  0.3775 -0.5479
+ 8348TIP3    H126492   0.638   3.573   1.311 -1.4153  0.5236 -1.2646
+ 8348TIP3    H226493   0.552   3.672   1.387 -0.8726  1.9929 -2.5613
+ 8349TIP3   OH226494   6.434   0.620   0.075 -0.1883  0.5818 -0.3677
+ 8349TIP3    H126495   6.520   0.656   0.054 -0.6623  3.2366  2.0098
+ 8349TIP3    H226496   6.380   0.696   0.095 -2.2858 -1.2271  1.0712
+ 8350TIP3   OH226497   6.560   6.870   6.383  0.2911 -0.2014 -0.1437
+ 8350TIP3    H126498   6.616   6.794   6.392  0.4601  0.0723  1.3037
+ 8350TIP3    H226499   6.474   6.834   6.360 -0.1252 -1.0331  2.4399
+ 8351TIP3   OH226500   1.238   3.749   6.384 -0.0003 -0.0721  0.1951
+ 8351TIP3    H126501   1.165   3.695   6.352  0.0756  0.1121 -0.2816
+ 8351TIP3    H226502   1.295   3.687   6.430 -0.6107 -0.1663  0.8395
+ 8352TIP3   OH226503   0.214   5.094   5.741  0.0580  0.2447  0.3761
+ 8352TIP3    H126504   0.224   5.185   5.714  0.9003  0.5576  1.6802
+ 8352TIP3    H226505   0.302   5.067   5.767 -0.0520 -1.1752 -0.6685
+ 8353TIP3   OH226506   1.173   3.376   1.106 -0.1727 -0.0803 -0.4613
+ 8353TIP3    H126507   1.090   3.418   1.084  0.5889  1.9764  0.4320
+ 8353TIP3    H226508   1.230   3.394   1.031 -0.2185 -0.6019 -0.6226
+ 8354TIP3   OH226509   5.583   6.123   0.983 -0.0332 -0.0719  0.6123
+ 8354TIP3    H126510   5.569   6.106   1.076 -1.9750  0.0597  0.3638
+ 8354TIP3    H226511   5.628   6.045   0.951  0.8247 -0.0379  1.6833
+ 8355TIP3   OH226512   6.754   1.482   6.115 -0.3006  0.1738 -0.5415
+ 8355TIP3    H126513   6.746   1.386   6.113  0.3574  0.1290 -1.1386
+ 8355TIP3    H226514   6.673   1.513   6.075  1.1916 -0.2262 -4.0202
+ 8356TIP3   OH226515   1.310   5.467   6.269 -0.9061 -0.1111  0.2957
+ 8356TIP3    H126516   1.239   5.420   6.313 -2.2588  0.8265 -0.8182
+ 8356TIP3    H226517   1.286   5.465   6.176  0.0241  1.0536  0.0136
+ 8357TIP3   OH226518   6.077   1.013   0.205  0.4266 -0.0913  0.2264
+ 8357TIP3    H126519   6.048   0.969   0.284 -1.1449  1.6763  0.6855
+ 8357TIP3    H226520   5.997   1.028   0.155  0.9880  1.6688 -0.1925
+ 8358TIP3   OH226521   6.462   1.213   5.398  0.0767  0.1408 -0.4998
+ 8358TIP3    H126522   6.432   1.170   5.478 -0.1229 -0.0139 -0.6582
+ 8358TIP3    H226523   6.546   1.171   5.379  0.4858  0.6954  0.0408
+ 8359TIP3   OH226524   6.192   0.548   5.911 -0.9388  0.6857 -0.3341
+ 8359TIP3    H126525   6.260   0.586   5.966 -0.8796  0.3805 -0.1926
+ 8359TIP3    H226526   6.110   0.581   5.947 -1.0796 -1.9032  1.8377
+ 8360TIP3   OH226527   0.164   0.103   0.722  0.0811  0.2317  0.3303
+ 8360TIP3    H126528   0.219   0.044   0.774  0.5281 -0.2686 -0.6949
+ 8360TIP3    H226529   0.212   0.115   0.641 -0.1886  1.7298  0.3836
+ 8361TIP3   OH226530   5.270   0.401   6.763 -0.0627  0.0031 -0.1915
+ 8361TIP3    H126531   5.234   0.483   6.798 -0.1157  0.1047 -0.4784
+ 8361TIP3    H226532   5.205   0.373   6.698 -0.8194 -1.0876  1.0162
+ 8362TIP3   OH226533   3.947   1.214   5.677 -0.1230 -0.4054  0.0991
+ 8362TIP3    H126534   4.029   1.169   5.695 -0.5130 -0.7745  1.0047
+ 8362TIP3    H226535   3.971   1.305   5.665  0.8879 -1.0346 -3.2473
+ 8363TIP3   OH226536   4.787   5.619   6.280 -0.1494 -0.3840  0.0630
+ 8363TIP3    H126537   4.881   5.635   6.280 -0.1321 -0.3245  1.9355
+ 8363TIP3    H226538   4.778   5.524   6.292 -0.3150 -0.2955  0.6941
+ 8364TIP3   OH226539   4.716   2.606   6.136 -0.4870  0.6335 -0.5526
+ 8364TIP3    H126540   4.754   2.687   6.171  0.3139 -0.3201  0.8788
+ 8364TIP3    H226541   4.726   2.613   6.041  1.4156  1.3304 -0.3170
+ 8365TIP3   OH226542   0.359   0.139   4.885 -0.0729  0.3104 -0.6311
+ 8365TIP3    H126543   0.348   0.079   4.959  0.8419  0.4362 -0.3761
+ 8365TIP3    H226544   0.376   0.224   4.926 -1.9313  0.8581 -0.9889
+ 8366TIP3   OH226545   3.691   1.677   6.637  0.6267  0.2423  0.1719
+ 8366TIP3    H126546   3.613   1.727   6.660  0.9251  0.6053  0.4017
+ 8366TIP3    H226547   3.718   1.634   6.718  1.3852  1.1179  0.3847
+ 8367TIP3   OH226548   5.015   3.188   1.125  0.3796  0.4057 -0.0687
+ 8367TIP3    H126549   5.079   3.259   1.131 -1.1797  1.7026  2.2003
+ 8367TIP3    H226550   5.068   3.108   1.123  2.1430  1.5708 -1.9724
+ 8368TIP3   OH226551   1.649   1.036   0.179  0.8240  0.2202  0.2897
+ 8368TIP3    H126552   1.674   1.020   0.270 -0.0594 -3.7876 -0.1138
+ 8368TIP3    H226553   1.696   0.970   0.129  0.8114  1.9797 -2.1566
+ 8369TIP3   OH226554   0.045   1.344   2.171  0.1824 -0.6054 -0.5945
+ 8369TIP3    H126555   0.045   1.330   2.076 -1.3937 -1.1502 -0.5371
+ 8369TIP3    H226556   0.036   1.256   2.208  2.2993 -0.5424  0.1164
+ 8370TIP3   OH226557   0.510   1.894   6.046 -0.0328  0.1499 -0.3918
+ 8370TIP3    H126558   0.450   1.852   6.109 -0.6961 -0.0231 -1.1364
+ 8370TIP3    H226559   0.461   1.970   6.014  0.8124  0.9806  0.2564
+ 8371TIP3   OH226560   5.954   1.185   6.216 -0.1412  0.0212 -0.3908
+ 8371TIP3    H126561   6.001   1.179   6.133 -1.4469 -0.1338 -1.1476
+ 8371TIP3    H226562   5.918   1.097   6.229 -0.3725  0.1843  0.0803
+ 8372TIP3   OH226563   4.177   2.017   5.416 -0.3322  0.4415 -0.1350
+ 8372TIP3    H126564   4.153   1.951   5.481  0.8976 -1.2540 -1.3495
+ 8372TIP3    H226565   4.113   2.087   5.428 -2.1177 -1.2840  0.6899
+ 8373TIP3   OH226566   1.291   2.084   0.204  0.6161 -0.1755  0.3774
+ 8373TIP3    H126567   1.271   2.178   0.206 -0.8682 -0.4953  1.3365
+ 8373TIP3    H226568   1.382   2.078   0.234  0.0024  0.7861  2.5127
+ 8374TIP3   OH226569   0.540   1.822   5.365  0.5496 -0.1675 -0.5822
+ 8374TIP3    H126570   0.597   1.778   5.302 -0.7542 -0.2383 -1.7392
+ 8374TIP3    H226571   0.573   1.911   5.369  1.8443 -0.6593  0.1205
+ 8375TIP3   OH226572   4.865   5.364   6.369  0.1698  0.1700 -0.1228
+ 8375TIP3    H126573   4.850   5.360   6.463  0.4311  1.2605 -0.0227
+ 8375TIP3    H226574   4.959   5.382   6.361  0.1042  0.3138 -0.5824
+ 8376TIP3   OH226575   5.912   0.756   6.660  0.0228 -0.4056 -0.0872
+ 8376TIP3    H126576   5.821   0.737   6.639  0.4459 -0.5314 -1.8817
+ 8376TIP3    H226577   5.931   0.838   6.615  1.4319 -1.5439 -1.6894
+ 8377TIP3   OH226578   0.859   1.278   5.527 -0.3272  0.1408  0.7496
+ 8377TIP3    H126579   0.850   1.262   5.621  0.2530 -1.9523  0.4671
+ 8377TIP3    H226580   0.770   1.297   5.497 -0.5117  0.8008  1.7056
+ 8378TIP3   OH226581   6.088   2.418   6.396  0.1810 -0.2369 -0.0382
+ 8378TIP3    H126582   6.004   2.391   6.358 -1.0066  1.3735  1.3639
+ 8378TIP3    H226583   6.068   2.431   6.489  2.1608 -0.4915  0.4310
+ 8379TIP3   OH226584   6.718   6.762   6.659  0.1671 -0.9061  0.1365
+ 8379TIP3    H126585   6.691   6.696   6.596 -2.4305  1.2533 -1.1170
+ 8379TIP3    H226586   6.797   6.802   6.622  1.2681 -2.6852  0.5096
+ 8380TIP3   OH226587   1.720   6.220   0.559 -0.4066 -0.7324 -0.4789
+ 8380TIP3    H126588   1.808   6.251   0.538 -1.1527  3.5019  2.1202
+ 8380TIP3    H226589   1.677   6.212   0.474  1.2281  1.1155 -1.5244
+ 8381TIP3   OH226590   6.707   3.750   0.981 -0.3596  0.3655 -0.1109
+ 8381TIP3    H126591   6.776   3.753   0.916  0.8011 -0.3035  1.0677
+ 8381TIP3    H226592   6.746   3.789   1.059 -1.7138  1.1287  0.2159
+ 8382TIP3   OH226593   4.477   1.231   4.287 -0.0138  0.0785  0.5154
+ 8382TIP3    H126594   4.565   1.204   4.262  0.0827  0.1015  0.8265
+ 8382TIP3    H226595   4.483   1.326   4.297 -0.4856  0.2912 -1.1237
+ 8383TIP3   OH226596   6.307   1.674   6.613  0.0279  0.0693  0.8477
+ 8383TIP3    H126597   6.342   1.626   6.688  0.5930  1.5830  1.5620
+ 8383TIP3    H226598   6.382   1.687   6.555 -0.4466 -1.2831 -0.1152
+ 8384TIP3   OH226599   4.715   0.521   5.796  0.1663  0.4941  0.1752
+ 8384TIP3    H126600   4.705   0.613   5.770 -0.1442  0.3980 -0.0587
+ 8384TIP3    H226601   4.760   0.525   5.880 -0.4411  0.8924  0.4899
+ 8385TIP3   OH226602   6.764   1.851   5.707  0.1633  0.6381 -0.1681
+ 8385TIP3    H126603   6.775   1.884   5.797  1.0816  0.6889 -0.2873
+ 8385TIP3    H226604   6.717   1.768   5.717  0.1930  0.6833  0.3561
+ 8386TIP3   OH226605   6.076   0.028   5.755 -0.3070  0.0691 -0.7565
+ 8386TIP3    H126606   6.106   0.115   5.783 -0.7634 -0.0980  0.2655
+ 8386TIP3    H226607   6.037  -0.010   5.834 -2.5750 -0.0006 -1.8640
+ 8387TIP3   OH226608   5.474   1.225   6.580  0.4559 -0.2349 -0.3804
+ 8387TIP3    H126609   5.513   1.155   6.632  0.2539 -0.3312 -0.3594
+ 8387TIP3    H226610   5.387   1.193   6.558  0.3289  0.0536 -0.2903
+ 8388TIP3   OH226611   6.264   1.585   5.261 -0.4456 -0.4780  0.0420
+ 8388TIP3    H126612   6.192   1.646   5.247 -0.4567 -0.3883  0.4731
+ 8388TIP3    H226613   6.322   1.599   5.187 -1.1972 -1.0238 -0.6556
+ 8389TIP3   OH226614   0.962   1.978   0.421 -0.2690  0.4063 -0.1361
+ 8389TIP3    H126615   0.995   2.049   0.476 -0.8676  1.0872 -0.6445
+ 8389TIP3    H226616   0.960   1.902   0.479 -2.8320  1.5776  1.3854
+ 8390TIP3   OH226617   5.182   0.702   6.827  0.3756 -0.2971  0.4029
+ 8390TIP3    H126618   5.203   0.792   6.849  1.2374 -0.4846  0.3949
+ 8390TIP3    H226619   5.092   0.690   6.856 -0.1704  0.9234 -0.7267
+ 8391TIP3   OH226620   5.907   3.060   4.581  0.2568  0.2532  0.2608
+ 8391TIP3    H126621   5.923   2.966   4.576 -0.1679  0.2110 -0.3330
+ 8391TIP3    H226622   5.994   3.099   4.589  0.5867 -0.0618 -1.5456
+ 8392TIP3   OH226623   4.416   6.300   5.703  0.2116 -0.0669 -0.0268
+ 8392TIP3    H126624   4.399   6.314   5.610 -0.5715 -3.4865 -0.4738
+ 8392TIP3    H226625   4.392   6.383   5.745 -2.4007  0.5259 -2.5294
+ 8393TIP3   OH226626   6.332   1.294   6.140 -0.1129 -0.1740  0.2618
+ 8393TIP3    H126627   6.244   1.302   6.103 -0.6774 -0.2738  1.5629
+ 8393TIP3    H226628   6.375   1.228   6.085 -0.4707  0.6704 -1.0645
+ 8394TIP3   OH226629   0.218   2.275   6.817 -0.5744 -0.2201  0.3286
+ 8394TIP3    H126630   0.164   2.197   6.822  0.8794 -1.2680 -0.1418
+ 8394TIP3    H226631   0.299   2.252   6.861  0.1465  0.7867 -0.4342
+ 8395TIP3   OH226632   6.039   0.034   0.562 -0.6038  0.3333  0.2713
+ 8395TIP3    H126633   6.066   0.063   0.475  2.9165  0.2825  1.2548
+ 8395TIP3    H226634   6.084  -0.050   0.574 -0.8047  0.4704  2.2143
+ 8396TIP3   OH226635   5.694   5.660   1.932 -0.2589 -0.3539 -0.1458
+ 8396TIP3    H126636   5.671   5.592   1.868 -0.2131 -0.6784  0.1835
+ 8396TIP3    H226637   5.784   5.640   1.957  0.5508  1.1518 -1.7341
+ 8397TIP3   OH226638   3.938   1.421   5.482 -0.2234 -0.3587 -1.1961
+ 8397TIP3    H126639   3.847   1.390   5.484  0.0606 -1.1670 -0.5108
+ 8397TIP3    H226640   3.932   1.510   5.446 -1.3556 -0.1776 -0.6057
+ 8398TIP3   OH226641   6.494   1.685   0.800 -0.4656 -0.1817  0.5481
+ 8398TIP3    H126642   6.525   1.735   0.725  0.6341 -0.9877  0.4615
+ 8398TIP3    H226643   6.404   1.660   0.777 -0.4574  0.3646 -0.0897
+ 8399TIP3   OH226644   6.561   2.639   6.779 -0.4739  0.1077  0.4548
+ 8399TIP3    H126645   6.628   2.690   6.733 -0.6059  0.2831  0.4593
+ 8399TIP3    H226646   6.541   2.566   6.719 -2.3601  1.6249 -0.8322
+ 8400TIP3   OH226647   4.380   6.507   5.863  0.0814 -0.4387  0.1921
+ 8400TIP3    H126648   4.376   6.457   5.945  0.8928 -2.2616 -0.8769
+ 8400TIP3    H226649   4.453   6.568   5.876  0.7014 -1.2461  0.5342
+ 8401TIP3   OH226650   0.214   1.666   5.893  0.2707 -0.5067  0.2712
+ 8401TIP3    H126651   0.181   1.635   5.808 -0.9681 -2.0217  1.2791
+ 8401TIP3    H226652   0.231   1.760   5.879  0.1485 -0.7450 -1.6616
+ 8402TIP3   OH226653   0.097   6.729   1.443  0.3146  0.4475  0.2442
+ 8402TIP3    H126654   0.054   6.792   1.502  0.8308  1.0674 -0.0344
+ 8402TIP3    H226655   0.181   6.711   1.485 -0.0085 -0.3942  0.5418
+ 8403TIP3   OH226656   5.701   4.820   6.775  0.5487  0.2595  0.3092
+ 8403TIP3    H126657   5.782   4.835   6.726  0.3100 -2.6020 -1.1072
+ 8403TIP3    H226658   5.655   4.753   6.724 -1.6686  0.2223  2.2856
+ 8404TIP3   OH226659   0.328   0.966   5.459  0.1005  0.4885 -0.5063
+ 8404TIP3    H126660   0.396   0.937   5.398  0.0940  1.7835 -1.1598
+ 8404TIP3    H226661   0.342   0.914   5.538  0.7557 -0.4872 -1.2551
+ 8405TIP3   OH226662   6.738   5.433   0.169  0.0873  0.7124 -0.2122
+ 8405TIP3    H126663   6.760   5.509   0.114  0.0383  1.1144  0.3224
+ 8405TIP3    H226664   6.654   5.403   0.134 -0.9710  2.2326  0.9567
+ 8406TIP3   OH226665   4.906   2.478   0.384  0.6763 -0.2026  0.2400
+ 8406TIP3    H126666   4.915   2.390   0.346  2.0556 -0.7043  1.6627
+ 8406TIP3    H226667   4.815   2.503   0.365  1.2802 -0.4254 -3.3239
+ 8407TIP3   OH226668   5.135   2.663   0.401 -0.3066 -0.5188  0.0633
+ 8407TIP3    H126669   5.057   2.607   0.398  0.7598 -2.2209  2.2628
+ 8407TIP3    H226670   5.208   2.601   0.412  1.3899  1.0240 -2.0465
+ 8408TIP3   OH226671   5.545   6.443   1.029  0.2219 -0.1234  0.2969
+ 8408TIP3    H126672   5.536   6.538   1.039  0.0496 -0.1881  0.7772
+ 8408TIP3    H226673   5.545   6.410   1.119 -0.0685 -0.6106  0.1182
+ 8409TIP3   OH226674   6.910   0.596   6.498  0.2720 -0.2105 -0.6325
+ 8409TIP3    H126675   6.820   0.616   6.525 -0.3468 -1.2935 -1.8207
+ 8409TIP3    H226676   6.934   0.667   6.439 -0.1044 -0.3333 -0.9368
+ 8410TIP3   OH226677   5.853   1.951   0.875  0.3197 -0.4572 -0.6085
+ 8410TIP3    H126678   5.942   1.919   0.860  0.2236 -0.7288 -0.6081
+ 8410TIP3    H226679   5.852   2.039   0.838  1.1029  0.2337  0.9699
+ 8411TIP3   OH226680   0.260   6.098   6.266 -0.1401  0.4826  0.2673
+ 8411TIP3    H126681   0.316   6.176   6.261  1.1349 -0.4568 -0.1075
+ 8411TIP3    H226682   0.178   6.125   6.224  0.2425  1.6608  0.2510
+ 8412TIP3   OH226683   0.193   4.415   5.391  0.1561 -0.0964  0.0483
+ 8412TIP3    H126684   0.162   4.437   5.479  1.6303 -0.3938  0.6479
+ 8412TIP3    H226685   0.268   4.357   5.405 -0.1700 -0.9018 -1.4220
+ 8413TIP3   OH226686   0.645   2.423   5.281  0.6349  0.2671  0.0459
+ 8413TIP3    H126687   0.696   2.489   5.328  0.6554  0.1317  0.2134
+ 8413TIP3    H226688   0.703   2.391   5.213  0.8551 -0.0461  0.3757
+ 8414TIP3   OH226689   1.292   3.278   5.228 -0.4620 -0.2817  0.0794
+ 8414TIP3    H126690   1.294   3.331   5.148 -1.6823  0.4906  0.5710
+ 8414TIP3    H226691   1.333   3.195   5.201  0.8923  0.6641 -0.8408
+ 8415TIP3   OH226692   0.687   2.401   6.279  0.2031  0.1825 -0.0664
+ 8415TIP3    H126693   0.651   2.380   6.365 -0.0100 -0.2823 -0.2719
+ 8415TIP3    H226694   0.657   2.490   6.262  2.0370  1.1272  1.3033
+ 8416TIP3   OH226695   1.798   1.939   5.788 -0.0396 -0.0855  0.0067
+ 8416TIP3    H126696   1.787   1.874   5.718  1.9849 -0.4226 -0.0149
+ 8416TIP3    H226697   1.865   1.902   5.844 -0.3699  1.0362  1.1570
+ 8417TIP3   OH226698   3.633   2.771   6.148  0.0255  0.7089  0.4808
+ 8417TIP3    H126699   3.652   2.684   6.114 -0.0422  1.7667 -2.3287
+ 8417TIP3    H226700   3.673   2.771   6.236  1.3662 -1.6081 -0.0851
+ 8418TIP3   OH226701   1.878   3.155   6.185  0.4333  0.3512 -0.2082
+ 8418TIP3    H126702   1.858   3.157   6.091  0.6581 -0.6894 -0.2906
+ 8418TIP3    H226703   1.803   3.195   6.227  0.4617  1.0917 -0.8583
+ 8419TIP3   OH226704   2.387   2.883   1.691  0.1358 -0.6000  0.3109
+ 8419TIP3    H126705   2.440   2.897   1.612  1.1765 -2.6558  0.6250
+ 8419TIP3    H226706   2.344   2.968   1.706  0.3417 -0.0307 -2.1387
+ 8420TIP3   OH226707   1.448   4.825   0.729 -0.2026  0.1420  0.0250
+ 8420TIP3    H126708   1.379   4.858   0.672  1.0667  0.4747 -1.3777
+ 8420TIP3    H226709   1.499   4.902   0.753  0.2752 -0.2190  0.1981
+ 8421TIP3   OH226710   1.891   1.364   0.293 -0.1958 -1.0090  0.3221
+ 8421TIP3    H126711   1.858   1.321   0.372  0.2937 -1.1804  0.4341
+ 8421TIP3    H226712   1.852   1.451   0.296  1.3077 -0.3411  1.7520
+ 8422TIP3   OH226713   2.060   2.566   5.658 -0.1897 -0.1202 -0.1914
+ 8422TIP3    H126714   1.994   2.562   5.589 -0.5487  3.1936 -0.1463
+ 8422TIP3    H226715   2.144   2.561   5.611 -0.4408  0.0565 -0.6648
+ 8423TIP3   OH226716   5.588   3.317   6.784  0.3765  0.5117 -0.0729
+ 8423TIP3    H126717   5.582   3.223   6.800  0.4304  0.2175 -1.6761
+ 8423TIP3    H226718   5.657   3.326   6.718 -0.1841  1.5900 -0.5338
+ 8424TIP3   OH226719   2.709   1.472   6.459  0.0565 -0.2952 -0.0372
+ 8424TIP3    H126720   2.680   1.555   6.495  0.9409  0.6579 -1.4780
+ 8424TIP3    H226721   2.721   1.415   6.535 -0.0500  1.0450  0.9884
+ 8425TIP3   OH226722   0.797   3.970   2.735  0.0513  0.4299 -0.3823
+ 8425TIP3    H126723   0.854   3.893   2.729  1.4476  1.4476 -0.6646
+ 8425TIP3    H226724   0.709   3.937   2.716  0.5305 -1.2069  0.1792
+ 8426TIP3   OH226725   2.708   1.690   5.996  0.2521 -0.2569 -0.0390
+ 8426TIP3    H126726   2.766   1.750   6.043 -1.3830 -0.2143  2.0057
+ 8426TIP3    H226727   2.745   1.603   6.013  1.3263 -0.0150 -1.1138
+ 8427TIP3   OH226728   1.250   1.610   1.234 -0.1144 -0.2950 -0.1612
+ 8427TIP3    H126729   1.186   1.658   1.287 -0.1491  1.0504 -1.3902
+ 8427TIP3    H226730   1.320   1.673   1.219 -1.0553  0.0461 -3.4199
+ 8428TIP3   OH226731   0.140   2.130   5.465 -0.0333  0.2892  0.1258
+ 8428TIP3    H126732   0.132   2.167   5.553  2.6603  0.4183  0.3406
+ 8428TIP3    H226733   0.226   2.159   5.434  0.7722 -3.0417 -0.9867
+ 8429TIP3   OH226734   2.938   4.605   0.036  0.1646  0.2505  0.2283
+ 8429TIP3    H126735   2.874   4.534   0.034 -0.3479  0.7289 -0.2555
+ 8429TIP3    H226736   2.984   4.598  -0.047  0.6192  0.0234  0.4973
+ 8430TIP3   OH226737   1.810   6.462   0.203  0.1942 -0.5180 -0.2547
+ 8430TIP3    H126738   1.842   6.376   0.228  1.1089 -1.1884 -3.5227
+ 8430TIP3    H226739   1.830   6.470   0.110 -2.5154  2.0448 -0.7317
+ 8431TIP3   OH226740   0.806   3.411   5.563 -0.2493 -0.3955  1.0217
+ 8431TIP3    H126741   0.816   3.388   5.471  0.8674  0.4904  0.9070
+ 8431TIP3    H226742   0.716   3.386   5.584 -0.0451 -1.9790  0.1071
+ 8432TIP3   OH226743   0.560   4.510   3.985 -0.0581 -0.1230  0.4356
+ 8432TIP3    H126744   0.549   4.512   3.890 -2.8617 -1.2422  0.6910
+ 8432TIP3    H226745   0.595   4.597   4.007 -0.5149  0.5623 -1.4935
+ 8433TIP3   OH226746   5.687   2.100   4.761  0.2268 -0.2784 -0.0404
+ 8433TIP3    H126747   5.756   2.035   4.758  1.0729  0.6606 -2.4477
+ 8433TIP3    H226748   5.605   2.049   4.764  0.9158 -1.4048 -0.2429
+ 8434TIP3   OH226749   1.081   3.014   5.338  0.2099  0.7062  0.1558
+ 8434TIP3    H126750   1.008   3.026   5.399 -0.5821 -1.9452 -0.2428
+ 8434TIP3    H226751   1.043   2.967   5.264  1.9621  0.7529 -0.7900
+ 8435TIP3   OH226752   2.785   2.926   1.300 -0.1131 -0.7780  0.1029
+ 8435TIP3    H126753   2.695   2.922   1.333  0.1414  0.8431  1.0716
+ 8435TIP3    H226754   2.793   2.850   1.242 -2.0552 -1.0172  0.1128
+ 8436TIP3   OH226755   5.510   3.039   0.239  0.2268 -0.2320  0.1919
+ 8436TIP3    H126756   5.558   3.047   0.321 -1.3139 -1.3076  1.2132
+ 8436TIP3    H226757   5.435   2.983   0.259 -0.5961  0.1020 -1.7611
+ 8437TIP3   OH226758   0.702   3.173   4.999 -0.0389  0.4500 -0.2694
+ 8437TIP3    H126759   0.690   3.226   5.078 -2.0411  1.0027 -0.9031
+ 8437TIP3    H226760   0.650   3.095   5.014 -2.4276  1.6348 -1.9709
+ 8438TIP3   OH226761   2.188   3.717   0.846 -0.4881 -0.1686  0.0549
+ 8438TIP3    H126762   2.243   3.726   0.768 -0.5587  0.4885  0.0762
+ 8438TIP3    H226763   2.168   3.624   0.851 -0.5689 -0.1987 -0.7720
+ 8439TIP3   OH226764   5.822   3.331   5.535  0.3426  0.1803  0.0986
+ 8439TIP3    H126765   5.838   3.253   5.482  1.4670  0.9574 -0.7370
+ 8439TIP3    H226766   5.829   3.404   5.473 -0.5015  0.9612  0.9034
+ 8440TIP3   OH226767   1.045   1.923   6.090  0.4845  0.3346  0.0094
+ 8440TIP3    H126768   0.963   1.886   6.056  1.4912 -2.0538  0.0785
+ 8440TIP3    H226769   1.017   1.982   6.160 -1.2070  0.1433 -0.4720
+ 8441TIP3   OH226770   1.701   4.735   4.848 -0.4384  0.3741 -0.0166
+ 8441TIP3    H126771   1.729   4.644   4.860 -0.2901  0.1955 -1.5751
+ 8441TIP3    H226772   1.707   4.773   4.935  0.0659 -0.9538  0.5553
+ 8442TIP3   OH226773   1.794   6.373   5.531 -0.5396  0.2991 -0.3132
+ 8442TIP3    H126774   1.837   6.317   5.466 -0.0291 -0.3258  0.5544
+ 8442TIP3    H226775   1.704   6.341   5.534 -0.4788  0.1103 -0.4649
+ 8443TIP3   OH226776   0.427   2.161   4.432 -0.2803 -0.1056  0.2729
+ 8443TIP3    H126777   0.362   2.221   4.469  2.1291  2.3086  0.7454
+ 8443TIP3    H226778   0.478   2.131   4.507  1.8908  1.4530 -0.5266
+ 8444TIP3   OH226779   1.504   0.138   5.805  0.0361 -0.5355  0.3822
+ 8444TIP3    H126780   1.434   0.202   5.818  0.7099  0.0999  0.9641
+ 8444TIP3    H226781   1.525   0.108   5.894 -0.8077 -2.1588  0.0571
+ 8445TIP3   OH226782   1.345   3.392   4.965 -0.5957 -0.2236  0.4749
+ 8445TIP3    H126783   1.399   3.314   4.958 -0.3264 -0.0148  0.1548
+ 8445TIP3    H226784   1.391   3.457   4.911 -0.4076  0.3802  1.3560
+ 8446TIP3   OH226785   0.576   3.846   1.569 -0.3377 -0.3618  0.4299
+ 8446TIP3    H126786   0.579   3.760   1.611 -0.4748 -0.4857  0.1835
+ 8446TIP3    H226787   0.632   3.901   1.624  1.8952 -1.2608 -0.8612
+ 8447TIP3   OH226788   4.483   4.425   0.297  0.1951 -0.4767 -0.7437
+ 8447TIP3    H126789   4.445   4.451   0.213 -2.0914 -0.1387  0.3643
+ 8447TIP3    H226790   4.443   4.340   0.316 -2.2921  1.2220  1.8367
+ 8448TIP3   OH226791   5.413   4.474   5.275 -0.7456 -0.0515  0.1229
+ 8448TIP3    H126792   5.390   4.441   5.362  1.4868  1.3089  1.2572
+ 8448TIP3    H226793   5.356   4.550   5.263 -0.2315  0.4628  0.9069
+ 8449TIP3   OH226794   3.531   4.310   6.134  0.3686  0.9996 -0.0026
+ 8449TIP3    H126795   3.587   4.353   6.199 -0.7732  2.7459 -0.1317
+ 8449TIP3    H226796   3.580   4.317   6.052  0.0310  2.4407 -0.0982
+ 8450TIP3   OH226797   0.661   1.681   5.169  0.2573 -0.3395  0.3207
+ 8450TIP3    H126798   0.707   1.656   5.089  2.1737  0.0952  1.2555
+ 8450TIP3    H226799   0.651   1.599   5.217  0.0430 -0.4323  0.1219
+ 8451TIP3   OH226800   2.156   4.640   0.539 -0.0227  0.6169  0.4209
+ 8451TIP3    H126801   2.119   4.721   0.575  1.1231  1.0236  0.7029
+ 8451TIP3    H226802   2.232   4.669   0.489 -0.1987 -0.1934 -0.3062
+ 8452TIP3   OH226803   1.876   0.897   1.836  0.0119 -0.0384 -0.0844
+ 8452TIP3    H126804   1.955   0.853   1.806 -0.1681 -0.3656 -0.0741
+ 8452TIP3    H226805   1.818   0.827   1.864 -0.1246  0.2213  0.2974
+ 8453TIP3   OH226806   2.268   4.772   5.920  0.4570 -0.2892  0.2895
+ 8453TIP3    H126807   2.325   4.698   5.941  1.9032  0.8056  0.2186
+ 8453TIP3    H226808   2.315   4.821   5.853 -0.5330  0.6618  0.2711
+ 8454TIP3   OH226809   6.517   3.428   5.223 -0.3148 -1.1773 -0.6249
+ 8454TIP3    H126810   6.488   3.415   5.313 -1.5599 -0.6093 -0.9233
+ 8454TIP3    H226811   6.598   3.478   5.230 -1.5085  0.7330  0.1382
+ 8455TIP3   OH226812   6.873   2.728   4.420  0.4431 -0.3204 -0.2964
+ 8455TIP3    H126813   6.903   2.654   4.472 -1.0979 -0.6296  0.1942
+ 8455TIP3    H226814   6.778   2.729   4.434  0.6137  2.7007  1.0168
+ 8456TIP3   OH226815   1.652   2.492   5.350  0.0495 -0.3585  0.0907
+ 8456TIP3    H126816   1.672   2.419   5.291 -0.2273 -0.8307  0.5708
+ 8456TIP3    H226817   1.558   2.485   5.365 -0.1071  0.5271 -0.4132
+ 8457TIP3   OH226818   6.723   1.614   3.668 -0.1346 -0.2955  0.2032
+ 8457TIP3    H126819   6.737   1.700   3.629 -1.8461 -0.6692 -1.3478
+ 8457TIP3    H226820   6.740   1.553   3.596 -1.8034 -1.0845  0.4665
+ 8458TIP3   OH226821   5.092   2.102   0.451  0.3009 -0.0293  0.4285
+ 8458TIP3    H126822   5.073   2.135   0.363 -2.0103 -0.2615  0.7970
+ 8458TIP3    H226823   5.143   2.172   0.492  0.7204  0.4243 -0.8437
+ 8459TIP3   OH226824   0.744   2.089   6.229  0.1190 -0.0961  0.3266
+ 8459TIP3    H126825   0.817   2.038   6.263 -0.2043  0.1387  1.4171
+ 8459TIP3    H226826   0.671   2.068   6.287 -0.9888 -1.1662 -1.4006
+ 8460TIP3   OH226827   4.980   1.720   5.783  0.7262  0.2956 -0.0532
+ 8460TIP3    H126828   4.911   1.785   5.795  0.1967 -0.5886  1.8872
+ 8460TIP3    H226829   5.054   1.770   5.748  0.1448  1.8555  0.8796
+ 8461TIP3   OH226830   6.016   0.392   4.590 -0.2804 -0.3186  0.4730
+ 8461TIP3    H126831   6.103   0.353   4.585  0.5372  1.4531  0.2871
+ 8461TIP3    H226832   5.998   0.398   4.683 -1.0521 -2.4851  0.4706
+ 8462TIP3   OH226833   2.065   2.668   5.008  0.4113  0.3792 -0.2133
+ 8462TIP3    H126834   1.996   2.613   4.971  0.6870 -0.5660  0.6746
+ 8462TIP3    H226835   2.125   2.683   4.935 -0.8425  1.4006 -1.0511
+ 8463TIP3   OH226836   2.462   1.895   5.338  0.7359 -0.1979 -0.1957
+ 8463TIP3    H126837   2.393   1.886   5.273 -0.7335 -0.1621  1.3145
+ 8463TIP3    H226838   2.521   1.821   5.321 -0.6125 -1.2477 -0.4141
+ 8464TIP3   OH226839   1.888   2.085   6.152 -0.5325 -0.4409 -0.2790
+ 8464TIP3    H126840   1.974   2.043   6.164  0.3124  0.0423 -3.8308
+ 8464TIP3    H226841   1.907   2.179   6.156 -0.9572 -0.3446 -0.5002
+ 8465TIP3   OH226842   1.381   1.298   4.044 -0.2181 -0.3206 -0.8062
+ 8465TIP3    H126843   1.307   1.349   4.012 -0.0958  1.4242  1.5182
+ 8465TIP3    H226844   1.458   1.339   4.004 -0.3252 -0.5579 -1.2585
+ 8466TIP3   OH226845   5.702   3.045   5.887 -0.4276  0.3353  0.5505
+ 8466TIP3    H126846   5.788   3.080   5.865 -0.2608 -0.5958 -0.3095
+ 8466TIP3    H226847   5.641   3.117   5.871  0.1127  0.7908  0.5381
+ 8467TIP3   OH226848   1.969   3.650   5.526  0.0923 -0.3572  0.5201
+ 8467TIP3    H126849   1.909   3.576   5.536 -0.5884 -0.1708 -1.7273
+ 8467TIP3    H226850   1.923   3.724   5.566  0.2220 -0.8736  1.6352
+ 8468TIP3   OH226851   2.986   3.480   6.498  0.5217  0.3359 -0.3461
+ 8468TIP3    H126852   2.976   3.561   6.448  1.6457 -0.1837 -1.4505
+ 8468TIP3    H226853   2.984   3.507   6.590 -0.4696  1.4341 -0.6813
+ 8469TIP3   OH226854   1.231   4.521   4.182  0.6556 -0.5860 -0.4154
+ 8469TIP3    H126855   1.146   4.549   4.216  0.4192  2.4132 -3.2379
+ 8469TIP3    H226856   1.287   4.514   4.259 -0.8272  2.3493  0.9849
+ 8470TIP3   OH226857   2.394   3.144   5.007  0.3485  0.0298  0.3303
+ 8470TIP3    H126858   2.322   3.196   5.043  0.4260 -0.6753  1.5367
+ 8470TIP3    H226859   2.363   3.115   4.922 -0.8885 -0.4650  0.9449
+ 8471TIP3   OH226860   1.288   3.115   6.622 -0.0283 -0.0422  0.2517
+ 8471TIP3    H126861   1.250   3.151   6.542  0.4485  1.5286  0.7094
+ 8471TIP3    H226862   1.306   3.024   6.602 -1.1185  0.0164 -1.0056
+ 8472TIP3   OH226863   2.378   3.234   6.197 -0.1970  0.2165  0.7313
+ 8472TIP3    H126864   2.375   3.330   6.194  0.1970  0.1604 -2.0535
+ 8472TIP3    H226865   2.461   3.215   6.241  1.3368  1.1629 -1.6803
+ 8473TIP3   OH226866   2.290   3.956   5.912  0.2010 -0.0567  0.1717
+ 8473TIP3    H126867   2.296   3.937   5.818  0.1343  0.5829  0.0375
+ 8473TIP3    H226868   2.372   3.924   5.948  0.3216 -0.1033 -0.1408
+ 8474TIP3   OH226869   5.075   1.743   4.717  0.3841  0.8779  0.4606
+ 8474TIP3    H126870   5.061   1.656   4.680  0.4448  0.9586  0.2498
+ 8474TIP3    H226871   5.037   1.803   4.653  0.5134  1.0198  0.5162
+ 8475TIP3   OH226872   1.003   2.181   3.188 -0.0223 -0.1263 -0.1226
+ 8475TIP3    H126873   1.010   2.275   3.171 -0.9539 -0.1067 -0.4306
+ 8475TIP3    H226874   1.085   2.159   3.233  0.0534  0.8940  0.2578
+ 8476TIP3   OH226875   6.625   4.410   3.803  0.5113 -0.1991  0.3052
+ 8476TIP3    H126876   6.580   4.463   3.737  1.2688  0.9220  0.6720
+ 8476TIP3    H226877   6.695   4.367   3.755  1.8343  1.5856  0.5969
+ 8477TIP3   OH226878   5.451   2.741   6.079 -0.0581  0.1265  0.3099
+ 8477TIP3    H126879   5.412   2.763   5.995 -0.0802  0.4195  0.3976
+ 8477TIP3    H226880   5.386   2.768   6.144  0.4437  0.9656  0.4745
+ 8478TIP3   OH226881   2.936   4.634   4.526  0.2320  0.0414  0.2063
+ 8478TIP3    H126882   2.851   4.676   4.537 -0.0376 -0.1292 -1.2362
+ 8478TIP3    H226883   2.998   4.697   4.562 -0.3548  0.8399 -0.1702
+ 8479TIP3   OH226884   1.940   1.468   5.738  0.2485  0.2997 -0.8733
+ 8479TIP3    H126885   2.029   1.451   5.769 -1.2274 -1.0397  2.9314
+ 8479TIP3    H226886   1.926   1.403   5.669  2.1101  0.3420 -1.3181
+ 8480TIP3   OH226887   4.707   2.177   5.865  0.1305  0.2629 -0.5184
+ 8480TIP3    H126888   4.795   2.216   5.867  0.9156 -1.3491 -2.3100
+ 8480TIP3    H226889   4.669   2.201   5.950  2.7542 -0.0308  0.8079
+ 8481TIP3   OH226890   1.531   2.052   5.126 -0.4971  0.0250 -0.1229
+ 8481TIP3    H126891   1.572   2.011   5.049  1.2906  1.2282  0.1643
+ 8481TIP3    H226892   1.493   1.978   5.174  0.6852 -1.0568 -0.7916
+ 8482TIP3   OH226893   0.045   4.052   5.467 -0.5908  0.1119  0.2020
+ 8482TIP3    H126894   0.096   4.008   5.400 -1.0908 -1.9394  1.1213
+ 8482TIP3    H226895   0.074   4.012   5.549 -1.6247  0.9607  1.0016
+ 8483TIP3   OH226896   3.433   1.902   5.471  0.2576 -0.0015 -0.3669
+ 8483TIP3    H126897   3.393   1.902   5.558  0.8143 -0.8963 -0.1151
+ 8483TIP3    H226898   3.401   1.823   5.429 -0.1539  0.5174 -1.0563
+ 8484TIP3   OH226899   6.437   1.179   6.764  0.9310  0.3251 -0.2780
+ 8484TIP3    H126900   6.454   1.089   6.792  0.6772 -0.0628 -1.3669
+ 8484TIP3    H226901   6.348   1.197   6.796 -0.2121 -0.8612 -2.6289
+ 8485TIP3   OH226902   2.287   4.193   6.337 -0.0460  0.5197 -0.1597
+ 8485TIP3    H126903   2.222   4.201   6.407  0.4141 -1.2091  0.4952
+ 8485TIP3    H226904   2.364   4.154   6.379  0.4889  0.0954 -1.4831
+ 8486TIP3   OH226905   1.390   1.973   4.318 -0.4396  0.1686 -0.2009
+ 8486TIP3    H126906   1.483   1.955   4.324 -0.3080  1.1540  1.0029
+ 8486TIP3    H226907   1.368   2.015   4.402 -2.1740 -1.0001 -0.0507
+ 8487TIP3   OH226908   0.306   2.076   6.552 -0.2344 -0.1885 -0.2613
+ 8487TIP3    H126909   0.213   2.072   6.529 -0.7520  3.8150  0.6855
+ 8487TIP3    H226910   0.346   2.123   6.478  0.3121  1.4320  1.0276
+ 8488TIP3   OH226911   2.701   3.118   5.260  0.1572 -0.5941 -0.3163
+ 8488TIP3    H126912   2.645   3.109   5.337  0.3530 -0.5084 -0.1644
+ 8488TIP3    H226913   2.760   3.043   5.265  3.6586  2.1598  2.4773
+ 8489TIP3   OH226914   0.902   3.104   4.786  0.0627  0.0911  0.3285
+ 8489TIP3    H126915   0.850   3.142   4.857 -0.4794  0.6255 -0.3620
+ 8489TIP3    H226916   0.847   3.033   4.752  0.3030 -0.1303  0.3949
+ 8490TIP3   OH226917   4.674   0.819   4.797 -0.2361 -0.1025  0.2875
+ 8490TIP3    H126918   4.657   0.823   4.703 -0.9269  2.2087  0.4921
+ 8490TIP3    H226919   4.678   0.910   4.824 -1.7326 -0.7701  2.8239
+ 8491TIP3   OH226920   5.974   1.988   5.224 -0.2869  0.3544  0.3050
+ 8491TIP3    H126921   5.949   1.948   5.307  0.4940  0.5621  0.6442
+ 8491TIP3    H226922   5.891   2.000   5.177 -0.7048  0.0154  0.9520
+ 8492TIP3   OH226923   1.422   2.846   0.227  0.2469  0.3899  0.2538
+ 8492TIP3    H126924   1.379   2.902   0.162  0.9760 -0.4319 -0.9416
+ 8492TIP3    H226925   1.485   2.903   0.270  1.0255  0.4783 -0.9984
+ 8493TIP3   OH226926   5.357   3.368   6.028  0.4747  0.2526  0.7838
+ 8493TIP3    H126927   5.399   3.349   5.944 -0.2351  2.8552 -0.1733
+ 8493TIP3    H226928   5.359   3.463   6.036  0.6785  0.0556  3.8117
+ 8494TIP3   OH226929   6.563   1.709   5.828 -0.2456 -0.0675 -0.4452
+ 8494TIP3    H126930   6.490   1.658   5.792 -0.5011 -0.0284  0.0151
+ 8494TIP3    H226931   6.529   1.798   5.835 -0.5183 -0.2604  0.7994
+ 8495TIP3   OH226932   6.683   1.602   5.332 -0.7190  0.6582 -0.2972
+ 8495TIP3    H126933   6.607   1.587   5.387 -1.4509  0.4802 -1.3417
+ 8495TIP3    H226934   6.753   1.550   5.372 -1.5927 -0.5383 -0.2942
+ 8496TIP3   OH226935   1.858   4.478   3.372  0.4490 -0.5377 -0.0091
+ 8496TIP3    H126936   1.869   4.501   3.279  0.4645 -1.6745 -0.2983
+ 8496TIP3    H226937   1.766   4.497   3.390 -0.1246 -2.3533 -0.8647
+ 8497TIP3   OH226938   2.166   1.717   5.816 -0.5689  0.1139  0.3602
+ 8497TIP3    H126939   2.116   1.757   5.745 -0.8969  0.5820  0.8537
+ 8497TIP3    H226940   2.187   1.629   5.783  2.9586  1.7679 -2.0409
+ 8498TIP3   OH226941   1.378   3.659   0.498 -0.6777  0.0597  0.2259
+ 8498TIP3    H126942   1.400   3.724   0.564 -3.0835  0.9219  0.2441
+ 8498TIP3    H226943   1.449   3.664   0.434  0.5879  0.7046  1.6585
+ 8499TIP3   OH226944   6.665   3.566   5.631 -0.0791  0.0041  0.3297
+ 8499TIP3    H126945   6.752   3.564   5.592 -0.7017  0.8569 -1.1251
+ 8499TIP3    H226946   6.677   3.614   5.714  0.8747 -0.1005  0.2522
+ 8500TIP3   OH226947   6.891   2.844   3.182 -0.2391 -0.2510 -0.3199
+ 8500TIP3    H126948   6.810   2.802   3.154 -0.2696 -1.3291  1.3349
+ 8500TIP3    H226949   6.959   2.802   3.130 -0.4813 -1.0554  0.0054
+ 8501TIP3   OH226950   2.250   1.790   5.173 -0.4134  0.1271 -0.1043
+ 8501TIP3    H126951   2.191   1.843   5.226 -0.8017 -0.1187 -0.2883
+ 8501TIP3    H226952   2.220   1.803   5.083 -0.9053 -0.9018 -0.0910
+ 8502TIP3   OH226953   1.561   2.122   3.892  0.6669 -0.3037 -0.0601
+ 8502TIP3    H126954   1.539   2.033   3.867 -0.8768 -0.1951  0.8801
+ 8502TIP3    H226955   1.511   2.139   3.971  0.1862  1.7207 -0.7530
+ 8503TIP3   OH226956   5.936   3.083   6.234  0.1765  0.0816 -0.2014
+ 8503TIP3    H126957   5.925   3.013   6.170  0.5046  1.3613 -1.6893
+ 8503TIP3    H226958   5.979   3.042   6.308  0.1572 -1.3456 -0.9709
+ 8504TIP3   OH226959   6.078   4.374   4.863  0.0230 -0.3745 -0.5305
+ 8504TIP3    H126960   6.128   4.425   4.800  0.9569 -2.4235 -1.5143
+ 8504TIP3    H226961   6.096   4.283   4.839 -0.1594 -1.1863  2.2724
+ 8505TIP3   OH226962   6.806   2.195   0.084  0.4087  1.1711 -0.3012
+ 8505TIP3    H126963   6.736   2.141   0.122 -0.9289  2.2435 -1.1650
+ 8505TIP3    H226964   6.827   2.152   0.001  0.7749  0.8427 -0.0368
+ 8506TIP3   OH226965   1.894   3.523   1.270  1.0685 -0.0900  0.1553
+ 8506TIP3    H126966   1.986   3.496   1.272  1.7038  1.9314 -0.3156
+ 8506TIP3    H226967   1.864   3.502   1.182  1.7393  1.2336 -0.4112
+ 8507TIP3   OH226968   0.805   5.091   1.287  0.2048  0.3580  0.3623
+ 8507TIP3    H126969   0.720   5.062   1.255  0.4864 -0.0784  0.0123
+ 8507TIP3    H226970   0.789   5.115   1.379 -0.1796 -0.2230  0.4454
+ 8508TIP3   OH226971   1.179   5.030   4.684 -0.0981  0.2869 -0.4015
+ 8508TIP3    H126972   1.166   5.078   4.602 -0.6432  2.3504  0.8369
+ 8508TIP3    H226973   1.272   5.039   4.702 -0.2082  0.9428 -0.1458
+ 8509TIP3   OH226974   0.305   5.757   2.497 -0.1295 -0.1419 -0.4017
+ 8509TIP3    H126975   0.281   5.665   2.502  0.3100 -0.1492  1.6408
+ 8509TIP3    H226976   0.394   5.757   2.461 -0.2252 -0.4818 -0.6453
+ 8510TIP3   OH226977   1.876   3.516   0.295  0.0848  0.1593 -0.3372
+ 8510TIP3    H126978   1.957   3.467   0.310 -0.0775  0.0231  0.0825
+ 8510TIP3    H226979   1.889   3.598   0.342  1.6286  1.8561 -3.5097
+ 8511TIP3   OH226980   2.096   1.989   5.342 -0.4874  0.0525  0.4530
+ 8511TIP3    H126981   2.162   2.058   5.344 -1.4023  0.9744 -0.9233
+ 8511TIP3    H226982   2.018   2.030   5.378 -0.9964 -0.3033 -0.2443
+ 8512TIP3   OH226983   0.906   3.651   4.148 -0.0210  0.0228  0.0690
+ 8512TIP3    H126984   0.898   3.747   4.147  1.6958  0.1898  0.5482
+ 8512TIP3    H226985   0.849   3.621   4.078  0.5995  1.5011 -1.0813
+ 8513TIP3   OH226986   1.228   2.624   0.531  0.0863  0.3273 -0.0971
+ 8513TIP3    H126987   1.290   2.619   0.459  0.0575  0.8585 -0.1629
+ 8513TIP3    H226988   1.195   2.534   0.542 -1.0217  0.5170 -1.7153
+ 8514TIP3   OH226989   3.114   3.375   5.018 -0.2557 -0.0280 -0.3300
+ 8514TIP3    H126990   3.061   3.295   5.018 -1.1919  0.5842  0.2023
+ 8514TIP3    H226991   3.087   3.422   5.097  1.5097  0.0229  0.2681
+ 8515TIP3   OH226992   2.370   4.334   6.075 -0.1246  0.3703  0.2035
+ 8515TIP3    H126993   2.328   4.280   6.141 -3.4904  4.4275  1.6110
+ 8515TIP3    H226994   2.428   4.392   6.126 -0.3095  1.3558 -0.6855
+ 8516TIP3   OH226995   0.934   2.720   5.975  0.0653 -0.4779  0.3111
+ 8516TIP3    H126996   0.979   2.741   5.893 -0.9746 -1.2241 -0.4671
+ 8516TIP3    H226997   0.951   2.627   5.988  0.9148 -0.1824  1.3910
+ 8517TIP3   OH226998   2.270   4.584   5.123  0.1927  0.1205 -0.1228
+ 8517TIP3    H126999   2.277   4.559   5.215 -0.8029  0.6068  0.1010
+ 8517TIP3    H227000   2.231   4.508   5.081  2.8966 -1.0224 -0.6057
+ 8518TIP3   OH227001   1.305   1.231   5.475  0.0017  0.0216 -0.3901
+ 8518TIP3    H127002   1.225   1.195   5.514  0.5874 -2.0236 -1.0163
+ 8518TIP3    H227003   1.372   1.218   5.543 -0.1229  1.3874 -0.0079
+ 8519TIP3   OH227004   2.248   3.600   5.528 -0.3572 -0.1194  0.4012
+ 8519TIP3    H127005   2.156   3.623   5.537  0.0606  1.7081  0.2654
+ 8519TIP3    H227006   2.280   3.594   5.618 -0.2535  0.8372  0.4384
+ 8520TIP3   OH227007   5.947   2.779   5.787  0.0993  0.3643  0.0188
+ 8520TIP3    H127008   5.912   2.821   5.708  0.1774  1.9329  0.7938
+ 8520TIP3    H227009   5.869   2.749   5.834 -0.2845  3.3776  1.4811
+ 8521TIP3   OH227010   0.485   4.259   1.547  0.0361 -0.5450 -0.4344
+ 8521TIP3    H127011   0.527   4.182   1.586  0.9864  0.1095 -0.1581
+ 8521TIP3    H227012   0.558   4.315   1.519 -0.6447  0.6315  0.1125
+ 8522TIP3   OH227013   0.342   2.063   3.070 -0.1855 -0.2780 -0.2822
+ 8522TIP3    H127014   0.348   2.103   3.157 -1.0128 -1.6879  0.4481
+ 8522TIP3    H227015   0.345   2.137   3.009  0.3972  0.7249  0.9476
+ 8523TIP3   OH227016   6.269   2.558   5.944 -0.4508  0.1718  0.7239
+ 8523TIP3    H127017   6.349   2.546   5.994 -1.3922 -0.3671  2.1091
+ 8523TIP3    H227018   6.232   2.470   5.935  0.7597 -0.0571 -2.7190
+ 8524TIP3   OH227019   0.316   5.943   5.547  0.0600  0.4142  0.0104
+ 8524TIP3    H127020   0.355   5.977   5.628  0.9340  1.1790 -0.7153
+ 8524TIP3    H227021   0.261   5.870   5.576  2.6609 -1.2557  1.0189
+ 8525TIP3   OH227022   1.752   3.803  -0.010 -0.4435  0.0884 -0.2210
+ 8525TIP3    H127023   1.694   3.877  -0.030 -1.2906 -0.2780  0.8148
+ 8525TIP3    H227024   1.798   3.830   0.070 -0.6202 -0.4256  0.0542
+ 8526TIP3   OH227025   2.265   2.615   0.952 -0.5239 -0.6307 -0.2231
+ 8526TIP3    H127026   2.318   2.564   0.891  2.0648 -1.1551  2.3807
+ 8526TIP3    H227027   2.229   2.551   1.013 -1.4311  0.1162  0.0498
+ 8527TIP3   OH227028   3.394   4.666   5.393  0.4455  0.0687  0.1009
+ 8527TIP3    H127029   3.412   4.685   5.485  2.6007 -0.1671 -0.2580
+ 8527TIP3    H227030   3.469   4.615   5.363  0.4929  1.3695 -2.1598
+ 8528TIP3   OH227031   2.511   2.858   4.653  0.2996  0.0683  0.1858
+ 8528TIP3    H127032   2.541   2.798   4.585 -0.3004  0.9456 -0.8604
+ 8528TIP3    H227033   2.583   2.860   4.717  1.0564 -0.4063 -0.6413
+ 8529TIP3   OH227034   6.729   4.054   4.925 -0.6600  0.0815 -0.3029
+ 8529TIP3    H127035   6.732   4.132   4.982 -1.5740 -1.3588  1.8022
+ 8529TIP3    H227036   6.635   4.039   4.911 -0.5271 -1.1690  0.0918
+ 8530TIP3   OH227037   1.185   3.596   5.107  0.3369 -0.2766 -0.7202
+ 8530TIP3    H127038   1.174   3.560   5.195  0.5590  0.1739 -0.5083
+ 8530TIP3    H227039   1.201   3.519   5.052 -4.5384 -1.1051 -1.1791
+ 8531TIP3   OH227040   2.416   0.882   6.353 -0.0587 -0.1417 -0.2848
+ 8531TIP3    H127041   2.494   0.835   6.323  0.0525 -0.1189 -0.0286
+ 8531TIP3    H227042   2.426   0.888   6.448  0.5549  1.5047 -0.4344
+ 8532TIP3   OH227043   1.426   1.796   1.156 -0.3525 -0.2992  0.1781
+ 8532TIP3    H127044   1.443   1.876   1.205 -0.3491  0.5591 -1.1771
+ 8532TIP3    H227045   1.511   1.772   1.119 -0.7846  0.4009 -1.3321
+ 8533TIP3   OH227046   2.185   3.407   0.485 -0.6254  0.4476  0.4642
+ 8533TIP3    H127047   2.207   3.397   0.392  2.8434 -1.8147  1.4108
+ 8533TIP3    H227048   2.215   3.495   0.507  0.2621  0.3062 -0.1335
+ 8534TIP3   OH227049   5.758   2.379   3.468  0.2587 -0.0569  0.6193
+ 8534TIP3    H127050   5.784   2.302   3.518  1.7229 -0.3763 -0.5863
+ 8534TIP3    H227051   5.703   2.345   3.398  1.0192 -0.0478  0.0035
+ 8535TIP3   OH227052   5.804   2.496   5.965 -0.1761 -0.1693  0.1479
+ 8535TIP3    H127053   5.727   2.551   5.953  0.6958  1.0910  0.2657
+ 8535TIP3    H227054   5.791   2.423   5.904 -0.4997  1.0762 -1.3018
+ 8536TIP3   OH227055   4.041   2.220   5.996  0.7220  0.0381  0.1051
+ 8536TIP3    H127056   4.104   2.258   5.934 -0.3967  0.4846 -0.7705
+ 8536TIP3    H227057   4.090   2.212   6.078  1.4462  1.9254 -0.1167
+ 8537TIP3   OH227058   1.813   1.402   4.908  0.5664 -0.3587 -0.0459
+ 8537TIP3    H127059   1.793   1.340   4.838  0.3866  2.1768 -2.3152
+ 8537TIP3    H227060   1.730   1.416   4.953  0.0732  0.0584 -1.0726
+ 8538TIP3   OH227061   3.055   5.883   1.028 -0.1980  0.0666  0.0485
+ 8538TIP3    H127062   3.120   5.897   0.959  1.3038 -0.2230  1.3786
+ 8538TIP3    H227063   3.008   5.966   1.034  0.3196  0.4145 -0.6478
+ 8539TIP3   OH227064   0.812   2.670   4.096 -0.1879  0.8828 -0.2041
+ 8539TIP3    H127065   0.719   2.679   4.078 -0.6016  0.7343  1.6943
+ 8539TIP3    H227066   0.818   2.595   4.155  1.0598  1.2129  0.1047
+ 8540TIP3   OH227067   3.496   0.994   6.261 -0.2843 -0.2481 -0.1734
+ 8540TIP3    H127068   3.422   0.958   6.311  0.7034 -2.5676 -0.3536
+ 8540TIP3    H227069   3.507   0.934   6.187 -0.2117  1.8397 -1.9196
+ 8541TIP3   OH227070   2.391   2.334   2.226 -0.1663 -0.4368  0.0434
+ 8541TIP3    H127071   2.418   2.253   2.270 -0.6759 -0.5510  0.1590
+ 8541TIP3    H227072   2.299   2.344   2.251  0.2339  0.8588  1.0733
+ 8542TIP3   OH227073   6.586   4.223   2.796 -0.1996  0.4627 -0.2090
+ 8542TIP3    H127074   6.671   4.265   2.808 -0.4110  0.7435  0.3113
+ 8542TIP3    H227075   6.589   4.188   2.707  0.7911 -0.2746  0.0976
+ 8543TIP3   OH227076   3.116   3.581   6.214 -0.3736  0.3128  0.3474
+ 8543TIP3    H127077   3.026   3.603   6.239 -0.4334 -1.2220  1.5706
+ 8543TIP3    H227078   3.170   3.649   6.255 -0.8951  0.6140  0.5306
+ 8544TIP3   OH227079   3.577   1.563   0.631 -0.1391 -0.0751 -0.8891
+ 8544TIP3    H127080   3.555   1.596   0.718 -0.9421 -0.1942 -1.0463
+ 8544TIP3    H227081   3.523   1.485   0.620 -1.1213  0.7497 -2.0636
+ 8545TIP3   OH227082   4.132   1.092   6.782 -0.0755 -0.3887  0.0261
+ 8545TIP3    H127083   4.201   1.092   6.716  0.6604 -2.6946  0.7441
+ 8545TIP3    H227084   4.050   1.091   6.732  0.4319  0.2395 -0.8317
+ 8546TIP3   OH227085   5.185   4.894   0.965 -0.5315  0.3992 -0.2235
+ 8546TIP3    H127086   5.151   4.959   0.903  0.1123 -0.0931 -1.1024
+ 8546TIP3    H227087   5.274   4.876   0.935 -1.4457 -2.5481 -1.3322
+ 8547TIP3   OH227088   2.506   4.652   0.745  0.6301 -0.8643  0.1690
+ 8547TIP3    H127089   2.598   4.662   0.768  0.9492  0.1019 -1.4091
+ 8547TIP3    H227090   2.507   4.597   0.667  0.1047  1.5359 -1.5644
+ 8548TIP3   OH227091   1.607   1.829   0.423 -0.7356  0.1653 -0.0339
+ 8548TIP3    H127092   1.575   1.812   0.334 -0.9653  1.5279 -0.2308
+ 8548TIP3    H227093   1.683   1.886   0.411 -0.5913  0.1199  0.6315
+ 8549TIP3   OH227094   3.354   4.268   0.469 -0.1787 -0.2500 -0.4823
+ 8549TIP3    H127095   3.350   4.185   0.421  0.6457 -0.1991 -0.6520
+ 8549TIP3    H227096   3.264   4.298   0.473 -0.4713 -1.1218 -0.4851
+ 8550TIP3   OH227097   2.383   3.133   5.935 -0.1341  0.3116  0.1451
+ 8550TIP3    H127098   2.353   3.044   5.917  1.2004  0.2094 -1.7105
+ 8550TIP3    H227099   2.387   3.138   6.030 -0.1149 -1.6399  0.2706
+ 8551TIP3   OH227100   3.478   3.379   6.492  0.0248 -0.0541 -0.9518
+ 8551TIP3    H127101   3.571   3.389   6.474  0.4370 -1.5026  0.2751
+ 8551TIP3    H227102   3.447   3.468   6.512  0.8978  0.5876 -2.4137
+ 8552TIP3   OH227103   5.168   1.564   1.414  0.3539 -0.3323 -0.7325
+ 8552TIP3    H127104   5.234   1.630   1.438  0.6842 -0.7098 -0.5963
+ 8552TIP3    H227105   5.113   1.557   1.491  0.4801 -0.4113 -0.6495
+ 8553TIP3   OH227106   3.251   2.919   0.225 -0.1654  0.1961  0.0916
+ 8553TIP3    H127107   3.257   2.878   0.139  0.4542  0.9919 -0.2430
+ 8553TIP3    H227108   3.341   2.935   0.251 -0.3752  0.6528  0.5510
+ 8554TIP3   OH227109   5.464   1.667   0.586  0.4048  0.5061  0.5174
+ 8554TIP3    H127110   5.551   1.701   0.610  1.2476 -2.4111  1.7992
+ 8554TIP3    H227111   5.483   1.590   0.533 -1.4373  0.2480  0.2130
+ 8555TIP3   OH227112   2.442   4.182   6.738  0.5801 -0.2463  0.0962
+ 8555TIP3    H127113   2.422   4.104   6.789 -0.0466  0.1174  0.4086
+ 8555TIP3    H227114   2.468   4.248   6.803  0.4302  0.0172 -0.1124
+ 8556TIP3   OH227115   3.286   4.912   1.771  0.3484  0.0836 -0.1965
+ 8556TIP3    H127116   3.203   4.959   1.773  0.1584 -0.1673 -1.5441
+ 8556TIP3    H227117   3.294   4.872   1.858  0.4747  2.4945  0.9378
+ 8557TIP3   OH227118   2.359   4.131   1.615  0.5585 -0.1905  0.5038
+ 8557TIP3    H127119   2.330   4.139   1.705  1.7164  0.9381  0.7843
+ 8557TIP3    H227120   2.375   4.037   1.603 -1.0953 -0.5412  0.9830
+ 8558TIP3   OH227121   1.915   2.864   5.492  0.0758 -0.2460  0.0717
+ 8558TIP3    H127122   1.992   2.808   5.484  0.8565  0.5625  1.5674
+ 8558TIP3    H227123   1.949   2.953   5.481 -1.0290 -0.0153 -1.5628
+ 8559TIP3   OH227124   3.214   3.480   5.963  0.2675 -0.0232  0.2185
+ 8559TIP3    H127125   3.211   3.493   6.058 -0.7259 -0.4416  0.2530
+ 8559TIP3    H227126   3.127   3.507   5.933  0.8880  1.0239 -0.6980
+ 8560TIP3   OH227127   6.282   2.238   2.778 -0.5975  0.1734 -0.8185
+ 8560TIP3    H127128   6.240   2.246   2.863 -1.8416 -0.7160 -1.3466
+ 8560TIP3    H227129   6.352   2.173   2.792 -1.5703 -0.8691 -0.7683
+ 8561TIP3   OH227130   6.648   3.240   0.185  0.1440  0.0141  0.5274
+ 8561TIP3    H127131   6.613   3.243   0.096  1.7357 -0.1069 -0.1212
+ 8561TIP3    H227132   6.670   3.148   0.199 -0.6959 -0.0775  1.2944
+ 8562TIP3   OH227133   4.275   1.345   0.890  0.0767  0.3357  0.1550
+ 8562TIP3    H127134   4.181   1.327   0.898  0.1488 -0.5061 -0.8242
+ 8562TIP3    H227135   4.282   1.439   0.902 -1.3947  1.0792 -3.9120
+ 8563TIP3   OH227136   2.929   3.712   6.398  0.0266  0.2907  0.1018
+ 8563TIP3    H127137   2.961   3.801   6.384  0.5320  0.6027  3.0276
+ 8563TIP3    H227138   2.833   3.719   6.390  0.1605  0.7516 -1.2772
+ 8564TIP3   OH227139   2.493   3.966   0.082 -0.1429  0.1223 -0.4079
+ 8564TIP3    H127140   2.495   3.885   0.132 -1.5730 -1.4347 -2.7743
+ 8564TIP3    H227141   2.405   4.001   0.095  0.4998  1.3925  0.6939
+ 8565TIP3   OH227142   1.991   2.418   0.084  0.5577  0.1919 -0.1975
+ 8565TIP3    H127143   2.076   2.414   0.040 -0.3546 -0.7725 -1.9217
+ 8565TIP3    H227144   1.994   2.499   0.134  2.6267 -0.0042  0.0358
+ 8566TIP3   OH227145   2.785   2.314   4.927 -0.6467 -0.9410 -0.4951
+ 8566TIP3    H127146   2.751   2.346   4.844  0.9832 -2.0001 -1.6024
+ 8566TIP3    H227147   2.880   2.311   4.915 -0.4064 -1.4153  1.2975
+ 8567TIP3   OH227148   5.739   2.909   6.419  0.1296 -0.2629  0.1359
+ 8567TIP3    H127149   5.784   2.939   6.498 -0.1492  1.7884 -0.4461
+ 8567TIP3    H227150   5.691   2.986   6.389 -2.2515 -1.8662 -0.3124
+ 8568TIP3   OH227151   2.103   1.763   6.254  0.2986  0.0312 -0.0476
+ 8568TIP3    H127152   2.136   1.836   6.201  0.3424  0.7655  0.9699
+ 8568TIP3    H227153   2.126   1.685   6.204 -0.8517  0.7496 -1.7800
+ 8569TIP3   OH227154   2.722   3.462   6.288 -0.3144  0.0984  0.1444
+ 8569TIP3    H127155   2.690   3.543   6.328  2.0154  2.0515 -1.8255
+ 8569TIP3    H227156   2.770   3.418   6.358 -0.0921  1.2821  0.7480
+ 8570TIP3   OH227157   5.363   2.043   5.192 -0.0726 -0.2885 -0.1633
+ 8570TIP3    H127158   5.389   1.966   5.142  0.0554 -1.7464  2.0544
+ 8570TIP3    H227159   5.336   2.008   5.277 -0.9732  2.0271  0.5540
+ 8571TIP3   OH227160   3.105   4.794   4.713  0.3226 -0.0984  0.1820
+ 8571TIP3    H127161   3.189   4.796   4.666 -0.6445 -1.7983 -1.6433
+ 8571TIP3    H227162   3.123   4.739   4.790  0.7691 -0.7787 -0.4029
+ 8572TIP3   OH227163   3.371   3.761   0.438 -0.1541 -1.1416  0.5756
+ 8572TIP3    H127164   3.312   3.689   0.415  1.6993 -2.6506  0.4668
+ 8572TIP3    H227165   3.443   3.719   0.485  1.3360  0.5593 -0.1504
+ 8573TIP3   OH227166   3.683   3.776   5.736 -0.0485 -0.1134 -0.3522
+ 8573TIP3    H127167   3.772   3.783   5.701  0.5102 -1.0278  0.8477
+ 8573TIP3    H227168   3.650   3.693   5.702 -0.5065  0.3024 -0.9259
+ 8574TIP3   OH227169   3.828   1.728   1.748  0.4642  0.1476 -0.2045
+ 8574TIP3    H127170   3.919   1.739   1.721  0.1451 -0.6705 -1.6089
+ 8574TIP3    H227171   3.780   1.707   1.668 -0.7264 -0.8897  0.7492
+ 8575TIP3   OH227172   3.624   1.142   0.725 -0.2377  0.0927 -0.4568
+ 8575TIP3    H127173   3.697   1.101   0.679  1.6237  3.2818 -0.4863
+ 8575TIP3    H227174   3.665   1.191   0.797 -2.2510  2.5143 -0.8895
+ 8576TIP3   OH227175   2.994   2.357   6.014  0.0125  0.1735  0.5446
+ 8576TIP3    H127176   3.022   2.277   5.970  0.9029  0.0265  1.3687
+ 8576TIP3    H227177   3.032   2.428   5.963  0.3969  0.0253  0.6238
+ 8577TIP3   OH227178   2.104   3.367   6.103 -0.1745 -0.3185 -0.7645
+ 8577TIP3    H127179   2.073   3.322   6.182  0.1116  2.6922  1.1492
+ 8577TIP3    H227180   2.024   3.389   6.055 -0.6718  1.4632  0.7956
+ 8578TIP3   OH227181   3.320   4.000   6.762 -1.0201 -0.1943 -0.1299
+ 8578TIP3    H127182   3.329   4.066   6.831 -0.3780 -0.2541 -0.1546
+ 8578TIP3    H227183   3.250   4.034   6.706  1.3767  2.1045 -1.9197
+ 8579TIP3   OH227184   4.025   2.983   5.371  0.1819 -0.3280  0.3596
+ 8579TIP3    H127185   3.991   3.047   5.309 -0.2524 -1.3879 -0.5265
+ 8579TIP3    H227186   4.094   3.029   5.419 -1.9106  1.6167  1.6104
+ 8580TIP3   OH227187   2.761   5.923   6.684  0.3471  0.7574 -0.1493
+ 8580TIP3    H127188   2.734   5.873   6.607 -0.0570 -0.0984  0.5339
+ 8580TIP3    H227189   2.714   6.006   6.677 -0.3376  0.3555 -0.3933
+ 8581TIP3   OH227190   2.696   2.819   0.655  0.3411 -0.0529  0.0413
+ 8581TIP3    H127191   2.714   2.795   0.746 -1.6504  2.5220  1.1560
+ 8581TIP3    H227192   2.764   2.882   0.633 -0.8126  1.4694  0.7183
+ 8582TIP3   OH227193   2.509   2.162   4.029  0.0417  0.3881 -0.2157
+ 8582TIP3    H127194   2.491   2.212   3.950  0.2719  0.1003 -0.4505
+ 8582TIP3    H227195   2.535   2.227   4.094  0.2917  0.5766 -0.5079
+ 8583TIP3   OH227196   1.730   4.880   6.190  0.0810  0.1255  0.1600
+ 8583TIP3    H127197   1.734   4.784   6.192 -0.5012  0.1038  0.4338
+ 8583TIP3    H227198   1.651   4.901   6.239  0.3554  0.7617  0.3236
+ 8584TIP3   OH227199   0.488   4.561   5.525 -0.5691 -0.1305 -0.3615
+ 8584TIP3    H127200   0.409   4.599   5.563  0.3607  1.5739 -0.0401
+ 8584TIP3    H227201   0.474   4.467   5.529 -3.0644  0.1626 -1.3658
+ 8585TIP3   OH227202   1.615   3.449   0.341 -0.1482  0.4998  0.4203
+ 8585TIP3    H127203   1.587   3.540   0.333  1.1920  0.9881  1.1239
+ 8585TIP3    H227204   1.710   3.452   0.331 -0.0788 -0.8164  0.5424
+ 8586TIP3   OH227205   2.514   4.253   4.701  0.6138 -0.3213 -0.2295
+ 8586TIP3    H127206   2.531   4.290   4.615  0.5118 -1.3063 -0.6815
+ 8586TIP3    H227207   2.452   4.314   4.742  3.1080  1.8598  0.4086
+ 8587TIP3   OH227208   3.548   2.346   5.529  0.3656 -0.1623  0.8909
+ 8587TIP3    H127209   3.587   2.404   5.463  1.2657 -0.7372  0.9217
+ 8587TIP3    H227210   3.613   2.278   5.543 -0.0274 -0.3083  2.0339
+ 8588TIP3   OH227211   3.417   1.342   0.583  0.0748  0.4012 -0.3990
+ 8588TIP3    H127212   3.372   1.266   0.621 -0.9659  0.9297 -0.5614
+ 8588TIP3    H227213   3.494   1.305   0.540 -0.4907 -0.5847 -0.5783
+ 8589TIP3   OH227214   1.886   4.269   4.579  0.0574  0.0724 -0.7247
+ 8589TIP3    H127215   1.978   4.294   4.580 -0.3185  1.4844  0.5376
+ 8589TIP3    H227216   1.838   4.352   4.586 -1.2335 -0.8325  2.4739
+ 8590TIP3   OH227217   3.580   4.816   0.365  0.0011  0.2684 -0.6503
+ 8590TIP3    H127218   3.524   4.865   0.306 -1.2235 -0.9864 -0.5590
+ 8590TIP3    H227219   3.591   4.730   0.323 -1.5514 -0.9199  1.2657
+ 8591TIP3   OH227220   2.580   1.596   5.547  0.2281  0.6585  0.7827
+ 8591TIP3    H127221   2.502   1.543   5.561  0.9276 -0.1384  1.7502
+ 8591TIP3    H227222   2.626   1.552   5.475  0.3059  0.5399  0.9057
+ 8592TIP3   OH227223   1.897   6.782   0.785 -0.4547 -0.1330 -0.1234
+ 8592TIP3    H127224   1.965   6.716   0.770  0.2215  0.5322  0.0205
+ 8592TIP3    H227225   1.910   6.810   0.875 -2.5456 -1.8416  0.7480
+ 8593TIP3   OH227226   2.883   1.463   5.749  0.1212 -0.0988  0.1360
+ 8593TIP3    H127227   2.853   1.441   5.661  1.7578  0.9074 -0.6966
+ 8593TIP3    H227228   2.900   1.557   5.746  2.6560 -0.4862  0.7422
+ 8594TIP3   OH227229   3.132   2.838   6.529  0.2947 -0.1696 -0.0415
+ 8594TIP3    H127230   3.095   2.922   6.504  0.4232 -0.7719 -2.3961
+ 8594TIP3    H227231   3.093   2.819   6.615 -1.6199  1.1365 -0.5838
+ 8595TIP3   OH227232   5.703   0.996   3.481  0.1543  0.0790 -0.6923
+ 8595TIP3    H127233   5.741   1.083   3.494  0.1321  0.0639 -0.5197
+ 8595TIP3    H227234   5.661   0.976   3.564 -0.1832  0.0732 -0.8607
+ 8596TIP3   OH227235   3.390   2.044   0.913 -0.3090 -0.1668  0.4848
+ 8596TIP3    H127236   3.399   1.981   0.985 -0.2641  1.4486  1.9251
+ 8596TIP3    H227237   3.351   2.122   0.954 -0.3444  0.7506 -1.2567
+ 8597TIP3   OH227238   4.734   1.449   5.706 -0.1596 -0.0572 -0.4484
+ 8597TIP3    H127239   4.688   1.516   5.757  0.5106  0.7332 -0.8768
+ 8597TIP3    H227240   4.713   1.470   5.615 -2.6112 -2.3642 -0.4852
+ 8598TIP3   OH227241   4.194   2.468   0.291  0.3185  0.0453  0.0765
+ 8598TIP3    H127242   4.179   2.522   0.213 -2.1533  0.5436  0.8571
+ 8598TIP3    H227243   4.171   2.380   0.263  1.1098 -0.0637 -0.2433
+ 8599TIP3   OH227244   4.580   1.724   6.124 -0.0791 -0.5824  0.4740
+ 8599TIP3    H127245   4.673   1.703   6.129 -0.1897 -0.8593  1.6226
+ 8599TIP3    H227246   4.539   1.664   6.187 -0.7758  0.9294  1.4932
+ 8600TIP3   OH227247   3.375   3.156   6.366  0.2502  0.2259 -0.5470
+ 8600TIP3    H127248   3.418   3.214   6.428 -2.3164  2.1985 -0.5558
+ 8600TIP3    H227249   3.310   3.211   6.322 -0.2623 -1.9424 -2.6384
+ 8601TIP3   OH227250   2.363   5.936   0.450  0.3399  0.0520  0.2829
+ 8601TIP3    H127251   2.373   5.958   0.543 -0.2835 -0.0055  0.3613
+ 8601TIP3    H227252   2.368   5.841   0.447  0.4009  0.0564  0.2486
+ 8602TIP3   OH227253   2.020   3.109   5.433 -0.4434 -0.7481  0.3997
+ 8602TIP3    H127254   1.974   3.145   5.357 -0.7705 -0.7012  0.6183
+ 8602TIP3    H227255   2.108   3.088   5.400  0.7684  3.0298  0.9682
+ 8603TIP3   OH227256   4.489   3.754   0.942 -0.0252 -0.7931 -0.0046
+ 8603TIP3    H127257   4.442   3.761   0.859  1.0369  0.7377 -0.4929
+ 8603TIP3    H227258   4.420   3.759   1.009 -0.7652 -0.8027 -0.7589
+ 8604TIP3   OH227259   3.666   3.119   5.415  0.7980 -0.2969 -0.5799
+ 8604TIP3    H127260   3.644   3.150   5.503  2.3861 -2.1231  0.5150
+ 8604TIP3    H227261   3.607   3.045   5.400  1.1374 -0.5505 -0.6747
+ 8605TIP3   OH227262   4.041   3.346   0.887  0.4296  0.2698  0.5208
+ 8605TIP3    H127263   3.951   3.326   0.864  0.4828  0.7630 -0.1603
+ 8605TIP3    H227264   4.035   3.426   0.940  0.5058  0.7018 -0.1054
+ 8606TIP3   OH227265   4.603   2.765   0.118  0.1989 -0.6900  0.5083
+ 8606TIP3    H127266   4.685   2.812   0.129  1.4512 -2.4697 -0.9435
+ 8606TIP3    H227267   4.597   2.747   0.024 -2.0146 -0.3065  0.5426
+ 8607TIP3   OH227268   4.763   2.424   1.240  0.2199  0.6763 -0.1677
+ 8607TIP3    H127269   4.784   2.385   1.325 -0.9497 -0.3381 -0.3327
+ 8607TIP3    H227270   4.825   2.383   1.179  0.6575  0.9552  0.0865
+ 8608TIP3   OH227271   2.500   3.035   6.558  0.0457 -0.3897 -0.0920
+ 8608TIP3    H127272   2.520   2.955   6.509 -1.4512  0.0481 -1.4530
+ 8608TIP3    H227273   2.452   3.090   6.497 -1.6167  0.3029  1.7695
+ 8609TIP3   OH227274   2.485   4.404   0.280  0.0518 -0.5246 -0.3289
+ 8609TIP3    H127275   2.556   4.343   0.256 -0.4604 -1.3826  0.3177
+ 8609TIP3    H227276   2.426   4.352   0.335 -0.6750  0.4099 -0.2144
+ 8610TIP3   OH227277   2.717   2.815   5.548 -0.4219  0.4739  0.6778
+ 8610TIP3    H127278   2.762   2.752   5.491 -0.5985  0.4974  0.5082
+ 8610TIP3    H227279   2.686   2.883   5.488 -1.6635 -0.1133  0.6303
+ 8611TIP3   OH227280   2.590   3.718   1.534 -0.2214 -0.6364 -0.5755
+ 8611TIP3    H127281   2.664   3.738   1.477 -0.6387 -1.0861 -1.2852
+ 8611TIP3    H227282   2.603   3.774   1.611  1.8279 -2.0411  0.1381
+ 8612TIP3   OH227283   3.733   1.402   6.329  0.0517 -0.5772 -0.0524
+ 8612TIP3    H127284   3.695   1.347   6.261  0.9977  0.5473 -1.5295
+ 8612TIP3    H227285   3.826   1.382   6.327 -0.2124 -2.3643  2.6552
+ 8613TIP3   OH227286   3.293   4.999   6.874  0.0938 -0.1236  0.0307
+ 8613TIP3    H127287   3.331   5.087   6.876  1.1121 -0.5428 -0.0952
+ 8613TIP3    H227288   3.208   5.010   6.834  0.3957  0.7425 -0.3862
+ 8614TIP3   OH227289   1.652   0.811   6.894  0.4303 -0.0900  0.1295
+ 8614TIP3    H127290   1.574   0.756   6.892  0.5196 -0.1888 -0.4885
+ 8614TIP3    H227291   1.642   0.870   6.820  1.5673 -0.9480 -0.7148
+ 8615TIP3   OH227292   4.138   3.049   0.316 -0.2605  0.9259 -0.0257
+ 8615TIP3    H127293   4.109   3.133   0.281 -0.9814  0.9281  0.5487
+ 8615TIP3    H227294   4.058   2.997   0.326  0.2992 -0.2243 -1.3764
+ 8616TIP3   OH227295   1.081   3.379   5.605 -0.2296  0.1852 -0.5216
+ 8616TIP3    H127296   1.075   3.389   5.700  1.0106 -0.0051 -0.4150
+ 8616TIP3    H227297   0.991   3.357   5.578 -0.2453 -1.6316  0.8453
+ 8617TIP3   OH227298   1.276   2.957   6.356 -0.3926  0.1500 -0.6180
+ 8617TIP3    H127299   1.194   2.991   6.322  0.8336  2.2488 -1.6120
+ 8617TIP3    H227300   1.295   2.881   6.301  0.1591  1.8599 -2.8979
+ 8618TIP3   OH227301   2.494   2.956   1.302 -0.0698 -0.2454 -0.1996
+ 8618TIP3    H127302   2.516   2.976   1.393  1.8717  1.2395 -0.9579
+ 8618TIP3    H227303   2.464   3.039   1.265 -1.4643 -0.9732 -0.7742
+ 8619TIP3   OH227304   6.858   2.103   5.281 -0.1588  0.4526 -0.2524
+ 8619TIP3    H127305   6.918   2.118   5.354 -1.2802 -1.4592  1.1043
+ 8619TIP3    H227306   6.809   2.185   5.272  1.0503  1.2191  0.1249
+ 8620TIP3   OH227307   0.724   3.729   5.382 -0.0919  0.3505 -0.1349
+ 8620TIP3    H127308   0.749   3.641   5.352  1.9245  1.0816 -0.6639
+ 8620TIP3    H227309   0.721   3.782   5.303  2.3931  1.6042  0.5423
+ 8621TIP3   OH227310   2.729   2.446   6.471 -0.0536 -0.3548 -0.0588
+ 8621TIP3    H127311   2.787   2.398   6.411 -0.5974 -1.7029  0.4870
+ 8621TIP3    H227312   2.646   2.452   6.424  0.0038  0.0350 -0.1129
+ 8622TIP3   OH227313   4.307   3.200   6.314  0.1993  0.5093 -0.2953
+ 8622TIP3    H127314   4.355   3.179   6.394  2.0184  0.1729 -1.4556
+ 8622TIP3    H227315   4.266   3.118   6.288  0.0914  0.4824 -0.0443
+ 8623TIP3   OH227316   2.282   4.278   0.399 -0.3369 -0.5109  0.0917
+ 8623TIP3    H127317   2.299   4.243   0.486  0.8385 -1.5319 -0.5347
+ 8623TIP3    H227318   2.222   4.216   0.359  0.0839 -0.6929 -0.2606
+ 8624TIP3   OH227319   3.191   3.062   5.293 -0.0457 -0.0669  0.0404
+ 8624TIP3    H127320   3.134   2.990   5.319 -1.1861  1.0059  0.5855
+ 8624TIP3    H227321   3.219   3.102   5.376 -0.3906  0.8443 -0.2715
+ 8625TIP3   OH227322   4.069   2.466   1.595 -0.6477  0.2026  0.3173
+ 8625TIP3    H127323   4.068   2.529   1.523 -1.7159 -1.0524 -0.7841
+ 8625TIP3    H227324   4.152   2.419   1.584 -0.6817  0.2015  0.0550
+ 8626TIP3   OH227325   4.355   3.041   5.213 -0.1203 -0.3534 -0.7111
+ 8626TIP3    H127326   4.446   3.032   5.243 -0.3387  0.3758  0.2015
+ 8626TIP3    H227327   4.316   3.104   5.274 -1.5389 -1.4467 -0.4695
+ 8627TIP3   OH227328   2.279   1.030   3.167 -0.4971 -0.1390  0.0960
+ 8627TIP3    H127329   2.312   0.943   3.189  0.0383 -0.4719 -1.8609
+ 8627TIP3    H227330   2.283   1.033   3.071 -1.5716  1.6289  0.0823
+ 8628TIP3   OH227331   5.568   2.773   4.974  0.2663  0.4379  0.1305
+ 8628TIP3    H127332   5.549   2.852   5.024  0.2069  0.6757 -0.2655
+ 8628TIP3    H227333   5.537   2.792   4.885  0.2248 -0.0400  0.0405
+ 8629TIP3   OH227334   2.441   5.206   5.863 -0.8126 -0.1683  0.1155
+ 8629TIP3    H127335   2.511   5.149   5.898 -0.9123  0.3453  1.1693
+ 8629TIP3    H227336   2.362   5.152   5.868 -0.6080 -0.5340 -0.4995
+ 8630TIP3   OH227337   2.767   3.097   0.031 -0.3763  0.5829  0.2266
+ 8630TIP3    H127338   2.853   3.127   0.002  0.6138 -1.0758  1.3665
+ 8630TIP3    H227339   2.755   3.137   0.117 -1.0783  1.4067 -0.2477
+ 8631TIP3   OH227340   2.422   5.169   6.663  0.1610  0.3329 -0.4286
+ 8631TIP3    H127341   2.461   5.253   6.643  1.3314  0.0862  0.7621
+ 8631TIP3    H227342   2.456   5.146   6.750 -1.9049 -0.3099  0.2599
+ 8632TIP3   OH227343   3.519   2.417   0.734  0.3512 -0.5957  0.1510
+ 8632TIP3    H127344   3.570   2.374   0.665 -1.3529  0.3773 -1.7715
+ 8632TIP3    H227345   3.543   2.510   0.728 -1.4235 -0.1512 -0.6508
+ 8633TIP3   OH227346   3.335   2.902   6.192 -0.6880 -0.0761  0.7123
+ 8633TIP3    H127347   3.413   2.903   6.248 -1.4415  1.3223  1.7461
+ 8633TIP3    H227348   3.331   2.990   6.154 -1.2774 -0.4211 -0.0445
+ 8634TIP3   OH227349   3.955   5.055   6.678 -0.0910  0.3820  0.1705
+ 8634TIP3    H127350   3.921   5.102   6.754 -1.7261 -0.0140 -0.2992
+ 8634TIP3    H227351   3.970   5.123   6.613 -4.0977  0.1371 -1.1159
+ 8635TIP3   OH227352   3.236   2.736   1.846  0.6374 -0.0230  0.1267
+ 8635TIP3    H127353   3.299   2.769   1.910 -0.4995  0.2155  1.1492
+ 8635TIP3    H227354   3.167   2.803   1.844  0.4714 -0.2237 -1.0561
+ 8636TIP3   OH227355   4.095   1.852   5.598  0.2793  0.4976 -0.2645
+ 8636TIP3    H127356   4.148   1.772   5.591  1.4645  1.2876 -0.5646
+ 8636TIP3    H227357   4.128   1.896   5.676 -0.5709  0.5643  0.0632
+ 8637TIP3   OH227358   3.341   3.262   5.196 -0.1825 -0.1293  0.0138
+ 8637TIP3    H127359   3.317   3.334   5.137  0.5496 -0.4183 -0.6648
+ 8637TIP3    H227360   3.260   3.214   5.211 -0.7695  1.0956  0.8377
+ 8638TIP3   OH227361   3.520   3.957   6.488 -0.2007  0.7798 -0.6823
+ 8638TIP3    H127362   3.589   3.988   6.547 -1.2965  0.4181  0.8097
+ 8638TIP3    H227363   3.498   3.870   6.521  0.0519  0.0519 -2.4059
+ 8639TIP3   OH227364   2.560   2.670   5.878  0.0458 -0.3185  0.1989
+ 8639TIP3    H127365   2.555   2.598   5.815  0.1894 -0.5127  0.4077
+ 8639TIP3    H227366   2.653   2.693   5.881  0.2381 -1.1935  1.3250
+ 8640TIP3   OH227367   4.689   3.998   6.583  0.3065  0.1728  0.0048
+ 8640TIP3    H127368   4.742   4.067   6.624  1.3856  0.7166 -2.2478
+ 8640TIP3    H227369   4.753   3.940   6.543 -0.6329 -1.7398  1.2064
+ 8641TIP3   OH227370   3.158   4.526   6.003 -0.3082 -0.5807  0.5428
+ 8641TIP3    H127371   3.145   4.621   6.002  0.9351 -0.3979 -0.7685
+ 8641TIP3    H227372   3.218   4.511   6.075  0.7771 -0.1663 -0.2587
+ 8642TIP3   OH227373   5.262   1.126   0.763 -0.1044  0.3182 -0.4263
+ 8642TIP3    H127374   5.313   1.186   0.708 -0.8987  0.5738 -0.9014
+ 8642TIP3    H227375   5.265   1.164   0.850 -0.5702  1.0381 -0.7189
+ 8643TIP3   OH227376   1.355   1.281   6.149 -0.2750  1.0603  0.4035
+ 8643TIP3    H127377   1.450   1.280   6.141 -0.1090  1.6689  2.1420
+ 8643TIP3    H227378   1.332   1.374   6.146 -0.7142  0.9720  0.9289
+ 8644TIP3   OH227379   1.971   2.564   4.581 -0.3347 -0.0395 -0.3656
+ 8644TIP3    H127380   1.979   2.585   4.487  0.1958  0.2210 -0.2649
+ 8644TIP3    H227381   2.052   2.517   4.602 -0.2238  0.3393  0.0732
+ 8645TIP3   OH227382   1.001   1.901   0.112  0.1533 -0.1738 -0.0280
+ 8645TIP3    H127383   0.992   1.929   0.203  1.5835  1.0322 -0.2252
+ 8645TIP3    H227384   1.083   1.851   0.111 -0.6078 -1.4264 -0.3781
+ 8646TIP3   OH227385   3.578   3.548   5.671 -0.1995  0.6255 -0.2482
+ 8646TIP3    H127386   3.623   3.465   5.689 -0.9739  0.3949  0.6551
+ 8646TIP3    H227387   3.526   3.531   5.593  0.6609  0.6626 -0.8425
+ 8647TIP3   OH227388   5.538   2.784   0.952 -0.7745 -0.4789 -0.2064
+ 8647TIP3    H127389   5.567   2.760   0.864  1.5097 -2.5355  1.0363
+ 8647TIP3    H227390   5.589   2.863   0.973  0.5321 -1.3975  0.1719
+ 8648TIP3   OH227391   5.817   4.539   6.719  0.4854  0.0580 -0.0586
+ 8648TIP3    H127392   5.861   4.602   6.662  1.1517  0.7141  1.1787
+ 8648TIP3    H227393   5.724   4.546   6.695  0.2257  3.1611  1.5954
+ 8649TIP3   OH227394   1.488   3.247   2.335  0.5390  0.5591 -0.0271
+ 8649TIP3    H127395   1.393   3.254   2.322  0.3823  1.1187  1.3214
+ 8649TIP3    H227396   1.503   3.153   2.346 -0.1364  0.6225  1.6321
+ 8650TIP3   OH227397   1.478   5.213   6.107  0.2299 -0.3160  0.3497
+ 8650TIP3    H127398   1.483   5.129   6.062  1.0062  0.2320 -0.6304
+ 8650TIP3    H227399   1.399   5.255   6.073  0.8178  0.0985 -0.5112
+ 8651TIP3   OH227400   1.688   3.055   5.270  0.4884 -0.1343 -0.1670
+ 8651TIP3    H127401   1.670   3.111   5.346 -0.2498 -1.1880  0.4485
+ 8651TIP3    H227402   1.702   3.116   5.198  1.7905  0.8876  0.9396
+ 8652TIP3   OH227403   2.646   3.115   6.285 -0.1353 -0.1720  0.5135
+ 8652TIP3    H127404   2.686   3.096   6.200 -1.1439  1.4015 -0.3378
+ 8652TIP3    H227405   2.638   3.029   6.327  1.6599 -0.8116 -0.3894
+ 8653TIP3   OH227406   4.706   1.660   6.603 -0.0539 -0.2882  0.4600
+ 8653TIP3    H127407   4.772   1.681   6.537 -0.3240 -0.3438  0.1675
+ 8653TIP3    H227408   4.739   1.698   6.684 -0.2574  0.7682  0.0575
+ 8654TIP3   OH227409   2.471   3.389   0.087  0.2960 -0.3116 -0.6475
+ 8654TIP3    H127410   2.556   3.423   0.116  0.7589 -1.3172 -0.7693
+ 8654TIP3    H227411   2.494   3.315   0.030 -0.6529 -0.1070 -1.3027
+ 8655TIP3   OH227412   3.527   2.943   0.360  0.3584 -0.0384  0.3589
+ 8655TIP3    H127413   3.523   3.009   0.430 -1.8139  0.6906 -0.3899
+ 8655TIP3    H227414   3.559   2.991   0.284 -2.7279  0.6096 -0.6060
+ 8656TIP3   OH227415   3.493   4.902   6.198  0.1555 -0.6354  0.6241
+ 8656TIP3    H127416   3.539   4.961   6.257 -0.5943  0.3848  0.2189
+ 8656TIP3    H227417   3.404   4.897   6.233 -0.7305  1.1808 -1.2004
+ 8657TIP3   OH227418   3.141   0.362   5.390 -0.0445  0.1793  0.8184
+ 8657TIP3    H127419   3.104   0.310   5.318 -1.0353  1.1581  0.6020
+ 8657TIP3    H227420   3.145   0.452   5.355 -1.0044  0.7611  2.1560
+ 8658TIP3   OH227421   2.189   3.760   6.573 -0.1099  0.7820 -0.1084
+ 8658TIP3    H127422   2.255   3.691   6.584  1.1088  2.0297  0.7149
+ 8658TIP3    H227423   2.106   3.717   6.593  0.6158 -0.4872  0.2706
+ 8659TIP3   OH227424   2.818   1.094   5.951 -0.2975 -0.9081 -0.1345
+ 8659TIP3    H127425   2.769   1.015   5.931 -0.9266 -0.6840  0.5126
+ 8659TIP3    H227426   2.819   1.098   6.047 -0.3913 -0.0594 -0.1688
+ 8660TIP3   OH227427   2.908   3.178   5.062  0.7481  0.2149  0.2402
+ 8660TIP3    H127428   2.814   3.166   5.073  0.8772 -0.7610  0.3186
+ 8660TIP3    H227429   2.948   3.105   5.110  1.4753 -0.7006 -1.6907
+ 8661TIP3   OH227430   1.969   5.072   0.217  0.3642  0.2405 -0.2372
+ 8661TIP3    H127431   1.942   5.152   0.262  0.7991  0.7610 -0.8939
+ 8661TIP3    H227432   2.012   5.020   0.285  0.1993  0.6183  0.1632
+ 8662TIP3   OH227433   2.530   0.893   4.270  0.5041 -0.5361  0.2202
+ 8662TIP3    H127434   2.459   0.872   4.208  0.5515 -2.4241  0.7677
+ 8662TIP3    H227435   2.605   0.844   4.237  1.5340  1.2975 -0.2381
+ 8663TIP3   OH227436   3.654   4.200   4.765  0.3187 -0.0500  0.2167
+ 8663TIP3    H127437   3.620   4.119   4.802 -0.0973 -0.9196 -1.9818
+ 8663TIP3    H227438   3.745   4.203   4.794  0.5399 -1.6830 -0.2540
+ 8664TIP3   OH227439   5.486   2.684   0.288  0.5183  0.4864 -0.2243
+ 8664TIP3    H127440   5.561   2.732   0.323  0.1799  1.1906 -0.4516
+ 8664TIP3    H227441   5.414   2.747   0.291 -0.3759 -0.6063  1.2097
+ 8665TIP3   OH227442   1.702   4.205   5.355 -0.2434  0.1034 -0.6470
+ 8665TIP3    H127443   1.694   4.116   5.320  2.4780 -0.3832 -0.0940
+ 8665TIP3    H227444   1.698   4.195   5.450 -1.8504  0.8026 -0.6256
+ 8666TIP3   OH227445   6.756   2.445   6.360  0.2074  0.3347 -0.8372
+ 8666TIP3    H127446   6.823   2.480   6.418 -0.6525 -0.1272  0.4599
+ 8666TIP3    H227447   6.685   2.510   6.364 -0.9402 -0.9798  0.7193
+ 8667TIP3   OH227448   4.250   4.843   5.790  0.7788  0.0882 -0.4549
+ 8667TIP3    H127449   4.285   4.877   5.873 -0.7376 -1.3789  0.8166
+ 8667TIP3    H227450   4.308   4.770   5.768  1.0359  0.3260 -0.5762
+ 8668TIP3   OH227451   5.603   3.057   6.848 -0.5621  0.4083  0.1570
+ 8668TIP3    H127452   5.575   3.052   6.939 -1.3922 -0.6940 -0.1433
+ 8668TIP3    H227453   5.611   2.966   6.820  0.8924  0.7253 -0.5243
+ 8669TIP3   OH227454   0.110   3.660   1.202  0.3992  0.0398  0.5552
+ 8669TIP3    H127455   0.050   3.599   1.245  1.9097  0.1259  2.8617
+ 8669TIP3    H227456   0.085   3.746   1.236  0.4295  0.3200 -0.1263
+ 8670TIP3   OH227457   3.737   3.348   5.750  0.9144 -0.0256 -0.1561
+ 8670TIP3    H127458   3.759   3.257   5.770  1.8719  0.2052 -0.1356
+ 8670TIP3    H227459   3.798   3.373   5.681 -0.0912  0.2574 -0.9497
+ 8671TIP3   OH227460   5.334   3.783   1.231 -0.1943 -0.6259  0.9199
+ 8671TIP3    H127461   5.391   3.838   1.285 -0.2281  0.3891 -0.0449
+ 8671TIP3    H227462   5.387   3.765   1.153 -0.7498 -0.6987  0.5601
+ 8672TIP3   OH227463   0.875   1.833   5.367  0.0027  0.2228 -0.3453
+ 8672TIP3    H127464   0.920   1.748   5.367 -0.2396  0.0444  2.1072
+ 8672TIP3    H227465   0.858   1.852   5.275  1.7688 -1.4852 -1.0407
+ 8673TIP3   OH227466   3.928   3.651   0.566 -0.1861  0.0923 -0.0201
+ 8673TIP3    H127467   3.978   3.716   0.616 -1.9703  3.3170 -2.2242
+ 8673TIP3    H227468   3.989   3.578   0.555  1.9417  1.3919  2.4853
+ 8674TIP3   OH227469   3.610   4.042   1.091  0.5511 -0.1146  0.8146
+ 8674TIP3    H127470   3.566   4.080   1.167  0.0413 -0.7293  0.8328
+ 8674TIP3    H227471   3.554   3.969   1.064  0.8604 -0.0583 -0.0007
+ 8675TIP3   OH227472   1.541   1.739   5.520 -0.4797 -0.3917 -0.0295
+ 8675TIP3    H127473   1.508   1.669   5.576  0.3369  0.0511  1.0302
+ 8675TIP3    H227474   1.628   1.757   5.553  0.3822 -0.7292 -2.0464
+ 8676TIP3   OH227475   5.826   0.934   5.673  0.2426 -0.7144 -0.0202
+ 8676TIP3    H127476   5.751   0.993   5.662 -0.1225 -1.1432  0.1949
+ 8676TIP3    H227477   5.788   0.846   5.672  0.4930 -0.8581  2.3568
+ 8677TIP3   OH227478   0.822   3.899   0.295  0.4765 -0.3958  0.5608
+ 8677TIP3    H127479   0.906   3.944   0.302  0.1253  0.2418  0.7063
+ 8677TIP3    H227480   0.778   3.916   0.378 -0.2763  0.2524  0.0334
+ 8678TIP3   OH227481   2.178   2.524   0.389  0.1068 -0.0609 -0.6154
+ 8678TIP3    H127482   2.157   2.567   0.471 -1.5344 -2.1206  0.0706
+ 8678TIP3    H227483   2.152   2.587   0.321  2.7426  2.2177  0.4005
+ 8679TIP3   OH227484   4.591   4.161   1.076  0.2053  0.4479 -0.4962
+ 8679TIP3    H127485   4.669   4.216   1.075  0.5006  0.0621  0.3438
+ 8679TIP3    H227486   4.548   4.177   0.992  0.4925  1.6556 -0.4151
+ 8680TIP3   OH227487   5.960   2.703   6.507  0.6157  0.1141  0.3471
+ 8680TIP3    H127488   5.867   2.710   6.529  0.3636 -1.7179 -0.0026
+ 8680TIP3    H227489   5.980   2.782   6.457 -0.5899  0.8342  1.0066
+ 8681TIP3   OH227490   3.348   3.275   6.793  0.0158  0.2174  0.2739
+ 8681TIP3    H127491   3.392   3.266   6.709  2.3938  0.0341  1.5086
+ 8681TIP3    H227492   3.409   3.325   6.847 -1.7954  0.9847  1.6810
+ 8682TIP3   OH227493   2.930   3.733   5.295  0.0906  0.0901  0.6104
+ 8682TIP3    H127494   2.838   3.712   5.280  1.0899 -3.1220 -1.6768
+ 8682TIP3    H227495   2.946   3.811   5.241 -0.6987 -0.8892 -1.0836
+ 8683TIP3   OH227496   2.628   3.480   6.628  0.8715 -0.0937 -0.1287
+ 8683TIP3    H127497   2.634   3.387   6.606  1.1031  0.4739 -2.6053
+ 8683TIP3    H227498   2.709   3.499   6.675  0.2995 -1.3854  1.4224
+ 8684TIP3   OH227499   4.980   3.758   0.023 -0.0756  0.4607 -0.3364
+ 8684TIP3    H127500   4.902   3.752   0.078  1.2161 -1.8770  1.3349
+ 8684TIP3    H227501   5.028   3.833   0.059 -0.2313  0.2094  0.4113
+ 8685TIP3   OH227502   5.540   1.298   0.103  0.2068 -0.2659  0.2995
+ 8685TIP3    H127503   5.620   1.296   0.155  0.2406  1.1663  0.3334
+ 8685TIP3    H227504   5.541   1.384   0.061 -0.5760 -0.8211 -0.8777
+ 8686TIP3   OH227505   4.031   4.056   6.308 -0.0642 -0.1583  0.2421
+ 8686TIP3    H127506   3.946   4.081   6.273  0.5796  0.9542 -0.5632
+ 8686TIP3    H227507   4.093   4.117   6.268  1.1133 -0.9259  0.8384
+ 8687TIP3   OH227508   5.934   4.384   6.303  0.0746  0.2349  0.1106
+ 8687TIP3    H127509   5.948   4.335   6.384  1.0521  1.5487  0.7485
+ 8687TIP3    H227510   5.925   4.316   6.235  0.0276 -0.8443  1.1850
+ 8688TIP3   OH227511   3.722   2.529   0.406 -0.2690 -0.0427  0.4612
+ 8688TIP3    H127512   3.681   2.589   0.468  0.7765  1.2354 -0.0734
+ 8688TIP3    H227513   3.813   2.558   0.400 -0.2065 -0.5190 -1.2219
+ 8689TIP3   OH227514   0.411   1.367   5.771 -0.2210  0.2027  0.2536
+ 8689TIP3    H127515   0.371   1.323   5.846 -0.6774  1.3316  0.6782
+ 8689TIP3    H227516   0.377   1.456   5.774 -0.5102  0.1584 -1.5120
+ 8690TIP3   OH227517   2.214   3.315   5.152 -0.1924  0.2811 -0.0837
+ 8690TIP3    H127518   2.149   3.247   5.169 -0.3080  0.1399 -1.0954
+ 8690TIP3    H227519   2.167   3.397   5.164  0.0401  0.2065  1.5144
+ 8691TIP3   OH227520   3.446   4.077   5.979 -0.4556  0.2031  0.3388
+ 8691TIP3    H127521   3.454   4.151   6.039  1.2942  0.2672  0.0666
+ 8691TIP3    H227522   3.494   4.006   6.022 -0.4568 -0.1817 -0.2880
+ 8692TIP3   OH227523   5.242   2.474   5.607  0.3160  0.1224 -0.0521
+ 8692TIP3    H127524   5.298   2.451   5.533 -2.2957 -0.2472 -1.9774
+ 8692TIP3    H227525   5.263   2.566   5.624  1.1182  0.1530 -1.1057
+ 8693TIP3   OH227526   5.130   3.643   1.631  0.4797  0.0365  0.6262
+ 8693TIP3    H127527   5.104   3.661   1.541  1.8678 -0.9883  0.0035
+ 8693TIP3    H227528   5.180   3.719   1.657 -0.3259  0.5480  0.7080
+ 8694TIP3   OH227529   6.838   3.644   0.202 -0.0150  0.5219 -0.2905
+ 8694TIP3    H127530   6.752   3.649   0.160  1.0008  2.3437 -2.2242
+ 8694TIP3    H227531   6.855   3.550   0.211 -2.8230  0.1158  1.4723
+ 8695TIP3   OH227532   1.159   2.580   6.085  0.4841 -0.1067 -0.1486
+ 8695TIP3    H127533   1.200   2.638   6.149 -1.0816 -2.2216  2.9172
+ 8695TIP3    H227534   1.232   2.546   6.034  1.8530  1.1174  0.9503
+ 8696TIP3   OH227535   5.660   1.163   4.560 -0.7262  0.1691 -0.1148
+ 8696TIP3    H127536   5.631   1.075   4.584  0.5432 -0.6214 -1.4000
+ 8696TIP3    H227537   5.680   1.205   4.644  0.0552 -1.2553  0.4340
+ 8697TIP3   OH227538   0.554   0.639   1.452  0.8730  0.3463  0.8114
+ 8697TIP3    H127539   0.507   0.565   1.490 -1.1369  0.2718 -1.6282
+ 8697TIP3    H227540   0.529   0.714   1.506 -1.4710  0.1537  0.0637
+ 8698TIP3   OH227541   3.055   2.137   5.874  0.0874 -0.0390 -0.5445
+ 8698TIP3    H127542   3.023   2.068   5.815  0.4551 -0.2051 -0.5521
+ 8698TIP3    H227543   3.149   2.143   5.855  0.6504 -1.6076  1.5323
+ 8699TIP3   OH227544   6.478   4.395   0.610  0.7482 -0.3716  0.6815
+ 8699TIP3    H127545   6.487   4.300   0.606 -0.0380 -0.4395  0.4273
+ 8699TIP3    H227546   6.568   4.427   0.623  0.9185 -1.1859  1.5985
+ 8700TIP3   OH227547   4.567   5.985   0.158  0.7260  0.0137 -0.3510
+ 8700TIP3    H127548   4.550   5.954   0.246  3.0026 -1.5151 -0.3923
+ 8700TIP3    H227549   4.625   6.061   0.169  0.7883 -0.0090 -0.5073
+ 8701TIP3   OH227550   5.034   1.580   4.330 -0.4274 -0.9091  0.2050
+ 8701TIP3    H127551   5.025   1.537   4.245 -0.0511 -1.1522  0.2861
+ 8701TIP3    H227552   5.035   1.673   4.309 -0.2345 -0.9720 -0.0700
+ 8702TIP3   OH227553   0.685   2.882   5.457 -0.3392 -0.4558 -0.1319
+ 8702TIP3    H127554   0.625   2.816   5.492 -1.4085 -0.0137 -1.1237
+ 8702TIP3    H227555   0.750   2.894   5.527  0.7442 -3.6347 -0.5339
+ 8703TIP3   OH227556   5.836   4.891   5.570  0.3119  0.1816  0.4436
+ 8703TIP3    H127557   5.751   4.887   5.614  0.2906  0.0657  0.3943
+ 8703TIP3    H227558   5.840   4.810   5.520  0.1284  0.5401 -0.1498
+ 8704TIP3   OH227559   4.419   1.514   6.272 -0.0967 -0.1758  0.0802
+ 8704TIP3    H127560   4.465   1.453   6.329 -1.1305 -0.3565  0.7515
+ 8704TIP3    H227561   4.396   1.587   6.330 -1.7774 -0.6851  0.0786
+ 8705TIP3   OH227562   3.947   6.800   6.029  0.1732  0.1883 -0.2659
+ 8705TIP3    H127563   4.012   6.800   6.099 -0.1188 -0.5393  0.0041
+ 8705TIP3    H227564   3.999   6.791   5.948  0.4707  0.5320 -0.1157
+ 8706TIP3   OH227565   5.174   2.988   4.317 -0.2548 -0.3683  0.4079
+ 8706TIP3    H127566   5.230   2.956   4.387 -1.9969  0.8358  2.4249
+ 8706TIP3    H227567   5.087   2.996   4.357 -0.6790  3.2702 -0.9643
+ 8707TIP3   OH227568   5.962   1.064   0.921  0.1314  0.0832  0.5362
+ 8707TIP3    H127569   5.875   1.074   0.883 -0.0056 -1.1292  0.5321
+ 8707TIP3    H227570   5.984   1.152   0.953 -1.9939 -0.0562  2.4816
+ 8708TIP3   OH227571   4.665   2.564   0.299 -0.0691 -1.1301  0.1862
+ 8708TIP3    H127572   4.605   2.564   0.373  0.8192 -0.5687  0.9126
+ 8708TIP3    H227573   4.630   2.631   0.240  0.4442  0.0053  1.1259
+ 8709TIP3   OH227574   4.131   1.851   6.102 -0.1248 -0.3104  0.3461
+ 8709TIP3    H127575   4.112   1.936   6.063  0.1321  0.4072  1.7573
+ 8709TIP3    H227576   4.221   1.858   6.134 -1.0506 -0.1034  3.0282
+ 8710TIP3   OH227577   5.742   2.498   3.922 -0.0006 -0.3105  0.6803
+ 8710TIP3    H127578   5.679   2.570   3.921 -1.2366 -1.3457 -2.1155
+ 8710TIP3    H227579   5.827   2.540   3.908 -0.6115  0.6994 -0.0601
+ 8711TIP3   OH227580   4.831   0.755   6.160 -0.1757  0.3791  0.2126
+ 8711TIP3    H127581   4.772   0.830   6.168  0.4847  1.1422 -2.0477
+ 8711TIP3    H227582   4.907   0.778   6.213 -0.9679  0.2800  1.4254
+ 8712TIP3   OH227583   5.245   1.723   5.639 -0.1692 -0.0114 -0.2783
+ 8712TIP3    H127584   5.334   1.739   5.606 -0.3591  0.4860 -0.5436
+ 8712TIP3    H227585   5.214   1.809   5.668 -0.9319 -0.0106 -1.0868
+ 8713TIP3   OH227586   2.306   3.182   1.246  0.1034 -0.0453 -0.5535
+ 8713TIP3    H127587   2.335   3.245   1.312  0.3118  0.5041 -1.1732
+ 8713TIP3    H227588   2.217   3.210   1.224 -0.4259 -0.9440  0.3690
+ 8714TIP3   OH227589   3.683   1.748   4.487  0.0042 -0.1833  0.1087
+ 8714TIP3    H127590   3.693   1.657   4.459  1.1985  0.1913 -0.7145
+ 8714TIP3    H227591   3.771   1.775   4.512 -0.0979  1.1558 -0.9348
+ 8715TIP3   OH227592   5.394   1.702   6.384  0.2351 -0.1855  0.4001
+ 8715TIP3    H127593   5.314   1.650   6.396  0.3908 -0.4611  0.2530
+ 8715TIP3    H227594   5.385   1.774   6.447 -0.3364  0.0404  0.0655
+ 8716TIP3   OH227595   2.962   1.568   6.906  0.2298 -0.0124  0.1196
+ 8716TIP3    H127596   3.008   1.643   6.869 -0.3330  0.1769 -0.2096
+ 8716TIP3    H227597   3.018   1.493   6.886 -0.0831  0.0812 -1.1568
+ 8717TIP3   OH227598   4.328  -0.013   6.565 -0.0799  0.0979 -0.0305
+ 8717TIP3    H127599   4.369  -0.025   6.651 -0.4482 -0.1863  0.1050
+ 8717TIP3    H227600   4.344   0.079   6.544  2.2394 -0.4411 -0.8046
+ 8718TIP3   OH227601   5.154   2.543   6.123 -0.1190 -0.4877  0.0609
+ 8718TIP3    H127602   5.190   2.457   6.101 -1.4377 -0.5801 -1.8565
+ 8718TIP3    H227603   5.106   2.569   6.045 -2.2851  0.6532  1.7311
+ 8719TIP3   OH227604   3.736   2.834   6.416  0.3296 -0.2783  0.1869
+ 8719TIP3    H127605   3.646   2.824   6.446  1.4523  0.3907  4.0005
+ 8719TIP3    H227606   3.733   2.910   6.357 -1.3812  0.5604  1.3204
+ 8720TIP3   OH227607   6.410   3.194   6.565  0.1864 -0.2292  0.2493
+ 8720TIP3    H127608   6.385   3.188   6.473  0.2317  1.1182  0.1401
+ 8720TIP3    H227609   6.349   3.258   6.602  0.8426  0.0090  0.9195
+ 8721TIP3   OH227610   5.783   1.291   0.252 -0.4718  0.2737 -0.3126
+ 8721TIP3    H127611   5.813   1.280   0.342 -4.0652 -1.3709  0.7856
+ 8721TIP3    H227612   5.785   1.202   0.215  0.0167  0.7892 -1.5604
+ 8722TIP3   OH227613   4.548   3.390   5.972  0.2117  0.1482  0.9603
+ 8722TIP3    H127614   4.490   3.319   5.999  1.3777 -1.5061 -0.7954
+ 8722TIP3    H227615   4.592   3.417   6.052 -1.5339  0.1212  1.9611
+ 8723TIP3   OH227616   3.594   2.771   5.574 -0.4782  0.2805 -0.3387
+ 8723TIP3    H127617   3.647   2.756   5.495  1.4943  0.2217  0.9457
+ 8723TIP3    H227618   3.569   2.683   5.603  1.4963  0.0626  0.8395
+ 8724TIP3   OH227619   1.252   0.820   4.002 -0.1372 -0.5042 -0.4160
+ 8724TIP3    H127620   1.160   0.846   3.999 -0.0992 -0.3386 -0.1527
+ 8724TIP3    H227621   1.255   0.750   4.067  0.0261 -0.0847  0.0316
+ 8725TIP3   OH227622   1.692   5.095   6.576  0.1238 -0.2306  0.4787
+ 8725TIP3    H127623   1.609   5.090   6.528  1.2951 -0.1995 -1.5703
+ 8725TIP3    H227624   1.683   5.172   6.631 -0.5306  0.7989 -1.0400
+ 8726TIP3   OH227625   6.565   3.827   5.134 -0.0314  0.5405  0.3639
+ 8726TIP3    H127626   6.481   3.873   5.124  1.0579  2.5307  0.0564
+ 8726TIP3    H227627   6.585   3.834   5.227  0.3923  1.1804  0.2292
+ 8727TIP3   OH227628   6.804   1.695   4.243 -0.4754  0.2224  0.0221
+ 8727TIP3    H127629   6.850   1.679   4.326 -0.5763 -0.3913 -0.0370
+ 8727TIP3    H227630   6.873   1.719   4.182 -0.5677  2.1475  0.6481
+ 8728TIP3   OH227631   4.775   3.064   4.645 -0.2057 -0.2350  0.3014
+ 8728TIP3    H127632   4.696   3.074   4.591  0.2037 -0.2978 -0.3061
+ 8728TIP3    H227633   4.766   3.132   4.712 -0.5554  0.0571 -0.0361
+ 8729TIP3   OH227634   3.189   4.035   0.718  0.4118  0.3725  0.5509
+ 8729TIP3    H127635   3.283   4.048   0.719  0.5089 -0.3392  0.6492
+ 8729TIP3    H227636   3.162   4.055   0.628  0.7023  0.1975  0.4275
+ 8730TIP3   OH227637   3.700   3.638   5.377  0.5927 -0.4759 -0.2979
+ 8730TIP3    H127638   3.617   3.670   5.340  0.7621 -1.3889 -1.5127
+ 8730TIP3    H227639   3.756   3.625   5.301  1.7214 -0.2452  0.4946
+ 8731TIP3   OH227640   4.283   2.825   5.094 -0.2545  0.3358  0.2548
+ 8731TIP3    H127641   4.227   2.796   5.165  0.2049 -0.2021  0.3986
+ 8731TIP3    H227642   4.307   2.915   5.118  0.9225 -0.2741  1.4231
+ 8732TIP3   OH227643   3.655   2.795   5.116  0.4291 -0.6967  0.7084
+ 8732TIP3    H127644   3.586   2.744   5.158  0.9346 -0.9946  1.1867
+ 8732TIP3    H227645   3.609   2.868   5.073 -0.1334 -0.6538  1.3823
+ 8733TIP3   OH227646   4.016   3.404   4.773  0.1610 -0.1032 -0.0257
+ 8733TIP3    H127647   4.061   3.474   4.821  1.5113 -0.6488 -0.5012
+ 8733TIP3    H227648   4.077   3.377   4.706  0.5362 -3.2521  1.5066
+ 8734TIP3   OH227649   4.458   5.063   6.645  0.3844 -0.3285  0.2054
+ 8734TIP3    H127650   4.527   5.005   6.613 -0.6013 -0.7494 -1.1755
+ 8734TIP3    H227651   4.376   5.020   6.620 -0.3673  1.1020  0.1509
+ 8735TIP3   OH227652   4.617   1.080   3.834  0.0933 -0.1056  0.3554
+ 8735TIP3    H127653   4.634   0.996   3.875  0.2398 -1.6881 -2.8020
+ 8735TIP3    H227654   4.657   1.073   3.747  0.3274  3.3169  0.1230
+ 8736TIP3   OH227655   5.525   3.855   1.438 -0.3785  0.7966  0.2553
+ 8736TIP3    H127656   5.602   3.805   1.462 -0.2670  0.4790 -0.7132
+ 8736TIP3    H227657   5.547   3.946   1.458  0.8010  0.8876 -1.3460
+ 8737TIP3   OH227658   6.418   1.835   3.792  0.2108  0.3209  0.3281
+ 8737TIP3    H127659   6.333   1.842   3.748  0.3209  0.3817  0.1240
+ 8737TIP3    H227660   6.476   1.890   3.740  0.8118 -1.1516 -0.5887
+ 8738TIP3   OH227661   2.972   4.821   5.728 -0.4423 -0.1839 -0.4565
+ 8738TIP3    H127662   2.983   4.784   5.641 -0.1445 -1.9091  0.3064
+ 8738TIP3    H227663   2.878   4.835   5.737 -0.7347 -2.3586 -0.0965
+ 8739TIP3   OH227664   1.955   2.678   6.565 -0.1585 -0.2103  0.1652
+ 8739TIP3    H127665   1.984   2.676   6.656  0.4816 -1.9941 -0.0636
+ 8739TIP3    H227666   1.860   2.669   6.570 -0.0372 -1.2999  0.6194
+ 8740TIP3   OH227667   0.202   1.317   5.976 -0.2719  0.1117 -0.6630
+ 8740TIP3    H127668   0.107   1.311   5.961 -0.1281 -0.8024 -1.2322
+ 8740TIP3    H227669   0.211   1.309   6.071 -0.6915 -1.1100 -0.7093
+ 8741TIP3   OH227670   4.464   1.000   0.925  0.1587 -0.2924  0.5118
+ 8741TIP3    H127671   4.448   1.088   0.961  0.2698  0.0454 -0.2554
+ 8741TIP3    H227672   4.557   0.999   0.904 -0.2903  0.2516 -1.6898
+ 8742TIP3   OH227673   0.244   1.640   4.479 -0.2011 -0.2832  0.3440
+ 8742TIP3    H127674   0.235   1.725   4.436 -0.2598 -0.1041  0.7169
+ 8742TIP3    H227675   0.228   1.577   4.409  0.7081  0.0010 -0.1385
+ 8743TIP3   OH227676   4.556   2.296   0.595 -0.3837  0.5554  0.7550
+ 8743TIP3    H127677   4.563   2.209   0.636 -2.2587  0.4199  0.8020
+ 8743TIP3    H227678   4.582   2.357   0.664  1.0475  0.0487  0.6923
+ 8744TIP3   OH227679   4.386   3.819   6.585 -0.0518  0.3435 -0.1441
+ 8744TIP3    H127680   4.338   3.902   6.590 -2.3587 -0.8995 -1.0045
+ 8744TIP3    H227681   4.318   3.752   6.582  1.7731 -1.7057  1.9108
+ 8745TIP3   OH227682   5.210   2.838   5.380  0.4200  0.0772 -1.0363
+ 8745TIP3    H127683   5.244   2.815   5.466 -0.3914 -0.9114 -0.9721
+ 8745TIP3    H227684   5.253   2.777   5.320  1.1022  0.8623 -1.3733
+ 8746TIP3   OH227685   5.787   2.203   0.472 -0.4023  0.4797  0.3856
+ 8746TIP3    H127686   5.803   2.205   0.566  0.4976  2.3328  0.1957
+ 8746TIP3    H227687   5.873   2.208   0.432 -0.8792  1.4345 -0.5579
+ 8747TIP3   OH227688   5.081   2.518   5.852 -0.5187 -0.0813  0.5074
+ 8747TIP3    H127689   5.022   2.591   5.836  0.1145  0.1519 -0.8233
+ 8747TIP3    H227690   5.149   2.526   5.785 -0.7035 -2.1763  0.0217
+ 8748TIP3   OH227691   3.709   5.192   5.107 -0.2956 -0.2172 -0.2092
+ 8748TIP3    H127692   3.766   5.181   5.031 -1.9164  0.9205 -1.6048
+ 8748TIP3    H227693   3.735   5.276   5.144  1.0161 -1.1131  0.9946
+ 8749TIP3   OH227694   0.770   4.470   0.378 -0.4228  0.6668  0.9411
+ 8749TIP3    H127695   0.698   4.408   0.363 -1.4210  1.8800  0.6032
+ 8749TIP3    H227696   0.842   4.416   0.409 -0.2148 -1.1037 -2.4593
+ 8750TIP3   OH227697   4.834   1.172   0.528 -0.0349  1.2104 -0.0850
+ 8750TIP3    H127698   4.913   1.213   0.494 -0.2744  0.9611 -0.9789
+ 8750TIP3    H227699   4.859   1.081   0.543  0.2318  1.4583  0.9667
+ 8751TIP3   OH227700   4.443   0.606   0.173 -0.3207 -0.3326  0.4483
+ 8751TIP3    H127701   4.505   0.566   0.113 -1.0425  2.2485 -2.1353
+ 8751TIP3    H227702   4.489   0.609   0.257  1.9009 -1.1362 -0.7065
+ 8752TIP3   OH227703   4.935   1.808   4.045 -0.4267 -0.1283  0.3147
+ 8752TIP3    H127704   4.870   1.756   4.091 -0.0562 -0.9723 -0.1148
+ 8752TIP3    H227705   4.901   1.898   4.049 -0.7913 -0.3178  1.5204
+ 8753TIP3   OH227706   5.544   3.495   4.805  0.5453 -0.6284  0.2996
+ 8753TIP3    H127707   5.455   3.529   4.797  1.4926  1.7937 -0.4343
+ 8753TIP3    H227708   5.558   3.485   4.900 -0.3988 -0.7576  0.4275
+ 8754TIP3   OH227709   4.386   1.515   5.186 -0.0880  0.3766 -0.4834
+ 8754TIP3    H127710   4.370   1.609   5.190 -0.5952  0.2463  0.7254
+ 8754TIP3    H227711   4.475   1.504   5.219  0.0720  0.4617 -0.8901
+ 8755TIP3   OH227712   6.238   2.929   1.174 -0.3931 -0.4460  0.0164
+ 8755TIP3    H127713   6.315   2.885   1.136 -1.5109 -1.4289 -1.1795
+ 8755TIP3    H227714   6.207   2.870   1.242 -0.6566 -0.5246 -0.1685
+ 8756TIP3   OH227715   0.695   1.114   6.356 -0.1329 -0.0998 -0.4460
+ 8756TIP3    H127716   0.710   1.173   6.429 -0.5283  0.8688 -1.1396
+ 8756TIP3    H227717   0.648   1.040   6.394 -0.2069  0.3258  0.2992
+ 8757TIP3   OH227718   5.387   2.045   4.808  0.5834  0.7072  0.4932
+ 8757TIP3    H127719   5.411   2.015   4.896 -0.3716 -0.6733  0.3088
+ 8757TIP3    H227720   5.339   2.127   4.822  0.7184  0.6578  1.2414
+ 8758TIP3   OH227721   3.330   6.471   0.215 -0.1298 -0.1235 -0.1552
+ 8758TIP3    H127722   3.254   6.480   0.158 -2.4596  1.7347  3.0987
+ 8758TIP3    H227723   3.317   6.387   0.259  0.8729 -0.8478 -1.2320
+ 8759TIP3   OH227724   4.096   5.888   6.179 -0.8925  0.2609  0.6104
+ 8759TIP3    H127725   4.145   5.897   6.097 -2.1731 -2.0741 -0.4526
+ 8759TIP3    H227726   4.042   5.967   6.184  1.0325  1.6051  0.4875
+ 8760TIP3   OH227727   2.846   2.661   5.346 -0.1189  0.1460 -0.5199
+ 8760TIP3    H127728   2.903   2.608   5.402  1.9985  2.3745 -0.4524
+ 8760TIP3    H227729   2.843   2.614   5.263  1.8653 -0.0306 -0.5302
+ 8761TIP3   OH227730   2.984   4.918   4.208 -0.0870  0.1853  0.8676
+ 8761TIP3    H127731   3.023   4.943   4.292 -1.1786 -0.9607  1.7400
+ 8761TIP3    H227732   2.915   4.982   4.193  1.5447  1.7148 -0.2654
+ 8762TIP3   OH227733   4.621   2.672   2.071 -0.1048 -0.4181  0.2442
+ 8762TIP3    H127734   4.699   2.689   2.018 -0.6447  1.6334  0.0356
+ 8762TIP3    H227735   4.567   2.615   2.017  0.5067 -0.4548 -0.3328
+ 8763TIP3   OH227736   5.307   3.166   4.842 -0.6113  0.3009  0.7157
+ 8763TIP3    H127737   5.291   3.079   4.880 -3.3358  0.7318  0.6194
+ 8763TIP3    H227738   5.278   3.159   4.751  1.5724  0.6043 -0.0322
+ 8764TIP3   OH227739   6.413   2.720   5.506  0.6461  0.3837  0.2287
+ 8764TIP3    H127740   6.388   2.634   5.473  1.8984 -0.8626  2.4337
+ 8764TIP3    H227741   6.362   2.732   5.586  0.3543  1.7811 -0.1511
+ 8765TIP3   OH227742   6.193   0.825   1.577 -0.0389 -0.1728 -0.3443
+ 8765TIP3    H127743   6.114   0.772   1.563 -1.0011  1.2213 -0.2430
+ 8765TIP3    H227744   6.160   0.908   1.612  1.5712  0.0054  0.7780
+ 8766TIP3   OH227745   6.690   0.757   6.575  0.4040  0.3789  0.3491
+ 8766TIP3    H127746   6.619   0.717   6.626  0.1675 -1.4058 -1.3442
+ 8766TIP3    H227747   6.645   0.816   6.515  0.3728 -0.4091 -0.4103
+ 8767TIP3   OH227748   0.218   2.910   6.643 -0.6873  0.1924  0.6370
+ 8767TIP3    H127749   0.183   2.882   6.727 -2.5325  0.1170 -0.1383
+ 8767TIP3    H227750   0.170   2.858   6.578 -0.6396  1.5896 -0.5424
+ 8768TIP3   OH227751   5.609   2.586   5.364  0.0351 -0.3618  0.0633
+ 8768TIP3    H127752   5.680   2.641   5.333 -1.0957  1.1077  0.0110
+ 8768TIP3    H227753   5.650   2.526   5.427  1.6854 -1.0071 -1.5983
+ 8769TIP3   OH227754   5.356   6.814   0.309  0.7052 -0.1780  0.2462
+ 8769TIP3    H127755   5.362   6.721   0.327 -4.0713 -0.6393 -0.0392
+ 8769TIP3    H227756   5.339   6.854   0.394  1.3250  0.3189  0.1454
+ 8770TIP3   OH227757   4.101   3.958   4.727 -0.4464 -0.0753 -0.4229
+ 8770TIP3    H127758   4.027   4.017   4.745  0.3309  1.2588 -1.4779
+ 8770TIP3    H227759   4.168   4.015   4.689  0.5262 -1.5651 -0.9790
+ 8771TIP3   OH227760   5.699   1.900   4.519  0.3766 -0.4045  0.1197
+ 8771TIP3    H127761   5.723   1.907   4.611 -0.2449  0.9648  0.1773
+ 8771TIP3    H227762   5.615   1.853   4.520  2.1305 -3.7266  0.0078
+ 8772TIP3   OH227763   4.455   2.081   5.355  0.0094 -0.0005  0.0078
+ 8772TIP3    H127764   4.380   2.055   5.408  0.3058 -0.6212  0.1314
+ 8772TIP3    H227765   4.465   2.010   5.291 -0.7853  1.0798 -1.3467
+ 8773TIP3   OH227766   5.001   2.809   5.894  0.2497 -1.2562 -0.8037
+ 8773TIP3    H127767   4.937   2.863   5.941  1.6680 -0.7323  0.5515
+ 8773TIP3    H227768   4.991   2.835   5.802  0.7382  1.1698 -0.2134
+ 8774TIP3   OH227769   5.525   2.600   0.610 -0.4274 -0.4853 -0.1199
+ 8774TIP3    H127770   5.574   2.550   0.544 -1.6120  1.2598 -2.4009
+ 8774TIP3    H227771   5.582   2.674   0.631 -0.1232 -0.9491  0.6778
+ 8775TIP3   OH227772   4.682   3.070   1.753 -0.4126 -0.2708 -0.6526
+ 8775TIP3    H127773   4.670   3.158   1.717 -0.3762 -0.3753 -0.9255
+ 8775TIP3    H227774   4.595   3.030   1.747 -0.4825 -0.1735 -0.3080
+ 8776TIP3   OH227775   3.016   2.225   6.661  0.7237 -0.5513  0.5065
+ 8776TIP3    H127776   3.109   2.203   6.661  0.3448 -2.2915 -2.1722
+ 8776TIP3    H227777   3.013   2.315   6.628  1.4582 -0.3718  0.9124
+ 8777TIP3   OH227778   5.617   3.799   4.239 -0.3456  0.4753 -0.2441
+ 8777TIP3    H127779   5.538   3.808   4.185 -0.3879 -0.3468 -0.3281
+ 8777TIP3    H227780   5.650   3.711   4.219 -0.5601  0.0188  1.3423
+ 8778TIP3   OH227781   5.464   2.462   4.773  0.3690  0.1144  0.1363
+ 8778TIP3    H127782   5.472   2.487   4.866 -1.2125 -0.8434  0.5401
+ 8778TIP3    H227783   5.378   2.494   4.747  0.2567 -0.8080 -0.6335
+ 8779TIP3   OH227784   6.413   2.203   0.342  0.0047  0.5014  0.1652
+ 8779TIP3    H127785   6.361   2.163   0.411 -0.1404  0.5295  0.0713
+ 8779TIP3    H227786   6.477   2.257   0.388  1.3868 -1.2321  0.3812
+ 8780TIP3   OH227787   3.098   2.119   5.488 -0.1403  0.1504 -0.3019
+ 8780TIP3    H127788   3.072   2.062   5.560 -0.6643  1.8603  0.8977
+ 8780TIP3    H227789   3.192   2.133   5.501 -0.3005  0.7264  0.2549
+ 8781TIP3   OH227790   5.056   4.670   0.268 -0.6551 -0.1146 -0.0084
+ 8781TIP3    H127791   5.096   4.623   0.195 -2.8807  1.9876 -2.7187
+ 8781TIP3    H227792   4.963   4.676   0.244 -1.4944  0.3485  3.1910
+ 8782TIP3   OH227793   4.090   2.808   0.926 -0.2095 -0.1039  0.3727
+ 8782TIP3    H127794   4.093   2.773   1.015 -1.5152  1.0896  0.9074
+ 8782TIP3    H227795   4.062   2.735   0.872 -1.5699 -0.2539  1.2648
+ 8783TIP3   OH227796   4.175   2.738   5.332 -0.0883 -0.6628 -0.5928
+ 8783TIP3    H127797   4.217   2.741   5.418  1.3426 -0.7839 -1.2565
+ 8783TIP3    H227798   4.116   2.813   5.331 -0.9968 -1.3430  0.9223
+ 8784TIP3   OH227799   5.651   2.449   0.435  0.2625 -0.5633  0.1626
+ 8784TIP3    H127800   5.701   2.368   0.431  0.1573 -0.5817 -0.8573
+ 8784TIP3    H227801   5.678   2.498   0.357 -0.5955 -0.1537  0.1160
+ 8785TIP3   OH227802   5.481   1.301   5.731  0.0214  0.7878  0.7364
+ 8785TIP3    H127803   5.482   1.380   5.678 -1.1674  1.2218  1.3382
+ 8785TIP3    H227804   5.404   1.311   5.787  1.1355  0.2715  2.4121
+ 8786TIP3   OH227805   0.416   2.724   0.268  0.0908 -0.4194 -0.4343
+ 8786TIP3    H127806   0.373   2.645   0.301 -1.3228  1.6628  3.0075
+ 8786TIP3    H227807   0.345   2.778   0.234  0.6970  0.5562 -0.1706
+ 8787TIP3   OH227808   1.941   0.593   6.657 -0.0311 -0.0003 -0.1094
+ 8787TIP3    H127809   1.990   0.657   6.606 -0.5372  0.8276  0.4378
+ 8787TIP3    H227810   1.926   0.635   6.742  0.1869 -1.0866  0.4761
+ 8788TIP3   OH227811   4.454   0.577   1.192  0.2667 -0.2380  0.0569
+ 8788TIP3    H127812   4.531   0.605   1.243  0.0232  0.2129  0.1713
+ 8788TIP3    H227813   4.439   0.647   1.130  0.0754 -0.4276 -0.1111
+ 8789TIP3   OH227814   5.986   3.062   5.869 -0.2479 -0.1876 -0.2854
+ 8789TIP3    H127815   6.036   3.024   5.797 -1.2607 -1.1080 -0.5235
+ 8789TIP3    H227816   6.000   3.003   5.943 -0.9256 -0.4153 -0.3348
+ 8790TIP3   OH227817   6.198   0.550   0.627 -0.0989  0.2305  0.1867
+ 8790TIP3    H127818   6.261   0.620   0.609  0.2981 -0.6973 -2.1488
+ 8790TIP3    H227819   6.246   0.487   0.680  0.4275  0.3616 -0.1350
+ 8791TIP3   OH227820   4.982   2.291   5.891  0.5842 -0.0312 -0.3610
+ 8791TIP3    H127821   5.009   2.382   5.902  0.5426  0.0095 -0.5904
+ 8791TIP3    H227822   5.000   2.272   5.799 -1.3459  0.4124 -0.8779
+ 8792TIP3   OH227823   5.185   2.688   6.347  0.5544  0.0566  0.0272
+ 8792TIP3    H127824   5.177   2.651   6.259  3.0238 -2.2721  0.7192
+ 8792TIP3    H227825   5.195   2.783   6.332 -1.4756 -0.0121 -2.0282
+ 8793TIP3   OH227826   3.862   2.235   5.756 -0.3386  0.4032 -0.3528
+ 8793TIP3    H127827   3.926   2.223   5.825 -0.4840 -0.0199 -0.2894
+ 8793TIP3    H227828   3.793   2.170   5.775 -0.1902  0.0153 -1.1051
+ 8794TIP3   OH227829   5.159   0.120   4.506 -0.0582  0.2242  0.0047
+ 8794TIP3    H127830   5.145   0.134   4.412  0.7077  0.9456 -0.0023
+ 8794TIP3    H227831   5.254   0.123   4.517 -0.1495  0.2115  0.8135
+ 8795TIP3   OH227832   6.769   4.601   4.976  0.3881 -0.2254 -0.9633
+ 8795TIP3    H127833   6.860   4.572   4.981  0.3348  0.0477  3.2751
+ 8795TIP3    H227834   6.757   4.657   5.053 -3.6592 -1.0232 -0.8922
+ 8796TIP3   OH227835   0.707   3.902   0.587 -0.1069  0.0723  0.2623
+ 8796TIP3    H127836   0.747   3.893   0.673 -1.7703  0.5426  1.0934
+ 8796TIP3    H227837   0.634   3.962   0.600  0.3821  1.1252 -1.7325
+ 8797TIP3   OH227838   4.862   1.797   5.352 -0.0017  1.0088 -0.4386
+ 8797TIP3    H127839   4.919   1.749   5.413 -1.4627 -0.4863 -0.1994
+ 8797TIP3    H227840   4.832   1.873   5.402  1.0863  1.3311 -0.2727
+ 8798TIP3   OH227841   1.481   3.429   1.231  0.4411  0.3894  0.3480
+ 8798TIP3    H127842   1.506   3.338   1.219 -1.0825 -0.0607  0.4797
+ 8798TIP3    H227843   1.432   3.451   1.151  0.2841  0.9061  0.5858
+ 8799TIP3   OH227844   6.863   6.921   4.532 -0.3273 -0.3571 -0.1321
+ 8799TIP3    H127845   6.895   6.833   4.517 -1.0259 -0.5625 -0.4012
+ 8799TIP3    H227846   6.778   6.909   4.574  0.8812  0.1716  2.6500
+ 8800TIP3   OH227847   5.202   3.469   5.042  0.2549  0.8205 -0.2154
+ 8800TIP3    H127848   5.125   3.413   5.030 -0.0132  1.1166  0.1145
+ 8800TIP3    H227849   5.275   3.407   5.050 -0.0898  0.5032  0.5162
+ 8801TIP3   OH227850   6.691   2.477   5.493 -0.4792  0.0264  0.3987
+ 8801TIP3    H127851   6.647   2.434   5.567  1.3899 -1.5512  0.6372
+ 8801TIP3    H227852   6.647   2.561   5.485 -2.9532 -1.1336  1.1789
+ 8802TIP3   OH227853   0.129   1.974   0.823  0.5971 -0.0939 -0.0493
+ 8802TIP3    H127854   0.110   2.051   0.877  1.4507  0.8880 -1.1559
+ 8802TIP3    H227855   0.212   1.993   0.781  1.3400 -2.0689  0.4682
+ 8803TIP3   OH227856   6.766   2.074   6.193 -0.3238 -0.0908 -0.2510
+ 8803TIP3    H127857   6.733   2.108   6.275 -0.8059  0.9870 -0.8855
+ 8803TIP3    H227858   6.701   2.098   6.128  0.0263 -0.9748 -0.9518
+ 8804TIP3   OH227859   0.422   3.293   6.446 -0.2698  0.4416 -0.6998
+ 8804TIP3    H127860   0.430   3.222   6.510  0.7392 -0.4197 -1.7626
+ 8804TIP3    H227861   0.440   3.372   6.496  0.2004 -0.1958  0.1508
+ 8805TIP3   OH227862   1.632   3.870   1.527 -0.2524  0.4059 -0.1872
+ 8805TIP3    H127863   1.581   3.793   1.499 -0.5756  0.2798  0.7352
+ 8805TIP3    H227864   1.615   3.935   1.459  1.0230 -0.7512 -1.6553
+ 8806TIP3   OH227865   0.556   2.254   6.447 -0.1573  0.2095  0.0183
+ 8806TIP3    H127866   0.549   2.281   6.539  0.0278  0.4991 -0.0540
+ 8806TIP3    H227867   0.570   2.159   6.452 -1.2231  0.0575  0.2573
+ 8807TIP3   OH227868   0.538   2.128   5.127  0.5233 -0.3551 -0.2307
+ 8807TIP3    H127869   0.511   2.150   5.217 -1.5326 -1.9566 -0.4248
+ 8807TIP3    H227870   0.475   2.061   5.099  1.2323  0.0387 -2.8322
+ 8808TIP3   OH227871   0.930   2.777   6.664 -0.4378 -0.8153 -1.0434
+ 8808TIP3    H127872   0.850   2.767   6.716  0.2338  2.4708  0.7234
+ 8808TIP3    H227873   0.996   2.806   6.727  0.8992  1.2740 -3.3206
+ 8809TIP3   OH227874   0.117   2.775   6.849 -0.1316  0.2811  0.5205
+ 8809TIP3    H127875   0.026   2.755   6.867 -0.0898 -1.5527 -1.1468
+ 8809TIP3    H227876   0.167   2.706   6.894  0.3393  0.1620 -0.1778
+ 8810TIP3   OH227877   0.558   0.366   1.121 -0.1943  0.3708 -0.0122
+ 8810TIP3    H127878   0.602   0.305   1.062 -0.5986 -1.2213  1.2941
+ 8810TIP3    H227879   0.627   0.395   1.181 -0.4401 -0.4209  0.6608
+ 8811TIP3   OH227880   4.644   2.681   6.599  0.3177 -0.4527  0.4002
+ 8811TIP3    H127881   4.594   2.613   6.644  0.1355 -1.2848 -1.0363
+ 8811TIP3    H227882   4.734   2.649   6.598  0.3307 -0.4129  0.2257
+ 8812TIP3   OH227883   5.083   2.296   6.548  0.2335 -0.0785  0.5252
+ 8812TIP3    H127884   4.999   2.315   6.507  1.0111 -2.4809 -2.3892
+ 8812TIP3    H227885   5.060   2.252   6.630 -1.3715 -0.9318 -0.3600
+ 8813TIP3   OH227886   6.699   2.252   4.671 -0.1994 -0.1439  0.2742
+ 8813TIP3    H127887   6.653   2.232   4.753  1.9657  1.3996  1.9292
+ 8813TIP3    H227888   6.711   2.167   4.628 -1.4374 -0.9593  1.5052
+ 8814TIP3   OH227889   6.387   1.636   5.014  0.4718 -0.2525 -0.6593
+ 8814TIP3    H127890   6.465   1.684   5.044  0.8961 -1.5202  0.3089
+ 8814TIP3    H227891   6.420   1.581   4.943  0.7200 -1.6924  0.5635
+ 8815TIP3   OH227892   0.859   3.438   5.293 -0.6405 -0.1210 -0.4318
+ 8815TIP3    H127893   0.866   3.373   5.223 -0.1561  1.0831 -1.5296
+ 8815TIP3    H227894   0.949   3.466   5.310 -0.6574 -1.1479  1.4079
+ 8816TIP3   OH227895   0.266   2.534   6.912  0.0457  0.0161 -0.0575
+ 8816TIP3    H127896   0.235   2.455   6.868 -0.4293  0.2233 -0.1007
+ 8816TIP3    H227897   0.357   2.544   6.882 -0.0301 -0.2712 -0.3896
+ 8817TIP3   OH227898   1.136   2.222   4.547 -0.1835  0.5657  0.0160
+ 8817TIP3    H127899   1.196   2.260   4.612  0.0934  2.9260 -1.5652
+ 8817TIP3    H227900   1.060   2.280   4.548 -0.3088  0.4328 -1.5343
+ 8818TIP3   OH227901   6.172   4.099   4.522  0.2725 -0.2695 -0.0951
+ 8818TIP3    H127902   6.116   4.022   4.510  1.8965 -1.7387  1.4055
+ 8818TIP3    H227903   6.189   4.130   4.433 -0.8658 -1.3108 -0.6977
+ 8819TIP3   OH227904   5.758   1.026   0.188  0.2341  0.0307 -0.4126
+ 8819TIP3    H127905   5.704   1.002   0.263 -0.8564 -0.0422 -1.2061
+ 8819TIP3    H227906   5.739   0.959   0.122  1.3753 -0.0531 -0.6721
+ 8820TIP3   OH227907   6.615   2.461   0.380  0.7844  0.0020 -0.4018
+ 8820TIP3    H127908   6.534   2.510   0.371  0.5611 -0.4286 -0.7587
+ 8820TIP3    H227909   6.634   2.462   0.474  0.4636  0.2562 -0.3404
+ 8821TIP3   OH227910   5.971   2.424   6.653 -0.3780  0.4130  0.1063
+ 8821TIP3    H127911   5.966   2.329   6.639  2.1367  0.2420  0.1796
+ 8821TIP3    H227912   5.879   2.453   6.650 -1.2325 -2.0719  0.5688
+ 8822TIP3   OH227913   5.754   4.015   5.070 -0.3636  0.4156  0.4850
+ 8822TIP3    H127914   5.801   4.097   5.059 -0.7508  0.6591  0.6369
+ 8822TIP3    H227915   5.817   3.948   5.047  0.1664  0.7228  1.0168
+ 8823TIP3   OH227916   2.742   1.961   1.674  0.4335 -0.1151 -0.3730
+ 8823TIP3    H127917   2.822   1.913   1.653  0.7543  1.1792 -2.2880
+ 8823TIP3    H227918   2.767   2.018   1.747  0.8543 -0.7390 -0.0244
+ 8824TIP3   OH227919  -0.008   0.960   6.064  0.7345 -0.3572  0.3170
+ 8824TIP3    H127920  -0.063   0.924   5.995  0.1760  1.2491 -0.1059
+ 8824TIP3    H227921   0.079   0.966   6.025 -0.0705  2.8608 -1.1451
+ 8825TIP3   OH227922   0.971   1.679   5.139 -0.0959 -0.3633 -0.5307
+ 8825TIP3    H127923   0.912   1.695   5.066  0.4795 -1.3525 -1.2143
+ 8825TIP3    H227924   0.969   1.584   5.152  0.2118 -0.2504  0.3972
+ 8826TIP3   OH227925   5.965   2.579   0.727  0.4023  0.5070 -0.1302
+ 8826TIP3    H127926   5.948   2.505   0.669  0.1068 -1.0722  1.8992
+ 8826TIP3    H227927   6.050   2.613   0.698  0.8650 -1.0685 -0.6678
+ 8827TIP3   OH227928   5.988   2.537   0.335 -0.2787  0.1539  0.0184
+ 8827TIP3    H127929   5.914   2.556   0.278 -0.0185  0.6642 -0.1508
+ 8827TIP3    H227930   6.038   2.618   0.338  0.2310 -0.1611  0.1972
+ 8828TIP3   OH227931   5.194   1.442   5.094 -0.1615 -0.8770  0.2418
+ 8828TIP3    H127932   5.179   1.387   5.018  0.4388  1.5636 -1.7350
+ 8828TIP3    H227933   5.280   1.415   5.128  0.8389 -0.1837 -1.6406
+ 8829TIP3   OH227934   0.307   1.910   5.768  0.1014  0.1592 -0.0814
+ 8829TIP3    H127935   0.271   1.952   5.691 -0.0939  0.4092  0.1455
+ 8829TIP3    H227936   0.372   1.849   5.734 -0.0240  0.2293 -0.4454
+ 8830TIP3   OH227937   4.471   3.614   0.162  0.1576 -0.1822  0.2532
+ 8830TIP3    H127938   4.535   3.626   0.232 -1.4246  1.8151  1.4045
+ 8830TIP3    H227939   4.408   3.551   0.198 -0.0164 -0.0486  0.1827
+ 8831TIP3   OH227940   6.581   1.986   2.550 -0.0574  0.6212  0.5965
+ 8831TIP3    H127941   6.538   2.065   2.517  1.3936  0.8949 -0.6723
+ 8831TIP3    H227942   6.564   1.920   2.483  1.7908  0.8280 -0.1025
+ 8832TIP3   OH227943   6.408   2.280   5.208 -0.6016  0.2548 -0.5771
+ 8832TIP3    H127944   6.371   2.203   5.251 -0.4416  0.6397  0.2590
+ 8832TIP3    H227945   6.352   2.295   5.132  0.5525 -1.8985 -1.8921
+ 8833TIP3   OH227946   0.575   4.056   5.435 -0.3991  0.0576  0.2769
+ 8833TIP3    H127947   0.662   4.029   5.404 -0.1310  1.0794  0.1466
+ 8833TIP3    H227948   0.528   3.973   5.449  0.4757 -0.4857  0.0099
+ 8834TIP3   OH227949   3.708   4.199   5.598  0.3087 -0.8827  0.2975
+ 8834TIP3    H127950   3.657   4.123   5.570 -0.0382 -0.7942  0.6829
+ 8834TIP3    H227951   3.781   4.162   5.648  0.6268 -1.0083 -0.2493
+ 8835TIP3   OH227952   0.762   2.416   4.313  0.4623 -0.3678 -0.1200
+ 8835TIP3    H127953   0.725   2.330   4.293 -0.9280  0.0541  0.5954
+ 8835TIP3    H227954   0.686   2.474   4.319  1.2365  0.5073  1.4465
+ 8836TIP3   OH227955   3.923   3.897   6.004  0.4583  0.3943 -0.0724
+ 8836TIP3    H127956   3.931   3.991   6.015 -0.5310  0.4631  0.0953
+ 8836TIP3    H227957   3.829   3.880   6.009  0.5763 -0.5177 -0.7393
+ 8837TIP3   OH227958   6.338   1.659   6.123 -0.8339 -0.1366 -0.0232
+ 8837TIP3    H127959   6.248   1.625   6.119 -0.3337 -1.8368  2.4826
+ 8837TIP3    H227960   6.383   1.615   6.051 -1.5148 -0.8388 -0.0287
+ 8838TIP3   OH227961   4.086   1.256   0.305  0.3647 -0.5105  0.0048
+ 8838TIP3    H127962   4.079   1.238   0.399  0.4490 -1.9462 -0.2614
+ 8838TIP3    H227963   4.178   1.239   0.285  0.8544  1.8872  0.0811
+ 8839TIP3   OH227964   0.541   3.094   1.192  0.4452  0.3301  0.5258
+ 8839TIP3    H127965   0.626   3.129   1.218  1.3303 -1.9200  0.7538
+ 8839TIP3    H227966   0.562   3.014   1.144 -1.5574 -0.2344  0.5614
+ 8840TIP3   OH227967   6.287   5.283   4.604  0.4409  0.2494  0.3600
+ 8840TIP3    H127968   6.249   5.302   4.690  1.6577  0.0866  0.9559
+ 8840TIP3    H227969   6.283   5.188   4.597  1.4269  0.1659  0.7732
+ 8841TIP3   OH227970   0.991   4.094   6.296 -0.3452  0.1017 -0.2922
+ 8841TIP3    H127971   1.017   4.029   6.362 -1.1827 -1.3575 -1.3517
+ 8841TIP3    H227972   1.038   4.174   6.321  2.4857 -1.5055 -0.2496
+ 8842TIP3   OH227973   4.912   4.062   6.080 -0.1473 -0.3472  0.3324
+ 8842TIP3    H127974   4.995   4.056   6.033  0.6070  1.4019  1.3987
+ 8842TIP3    H227975   4.847   4.030   6.017  0.9365  1.2714 -1.7028
+ 8843TIP3   OH227976   2.375   4.588   5.407  0.4783  0.0985  0.6775
+ 8843TIP3    H127977   2.441   4.575   5.475  0.3165  0.2064  0.8589
+ 8843TIP3    H227978   2.306   4.638   5.451  0.1569 -0.2460  0.5629
+ 8844TIP3   OH227979   6.055   1.532   0.349  0.0630 -0.1444 -0.1196
+ 8844TIP3    H127980   5.992   1.472   0.391  1.4466  0.4566  2.9606
+ 8844TIP3    H227981   6.004   1.611   0.330 -0.4221 -0.1353  1.1768
+ 8845TIP3   OH227982   5.184   4.207   5.225 -0.8067 -0.0132  0.2952
+ 8845TIP3    H127983   5.200   4.243   5.312 -0.8574 -0.6048  0.5484
+ 8845TIP3    H227984   5.206   4.114   5.232  0.9091  0.2742 -0.7879
+ 8846TIP3   OH227985   3.320   5.817   6.353 -0.1059 -0.0906  0.6927
+ 8846TIP3    H127986   3.334   5.855   6.266 -0.4404 -1.5711 -0.0162
+ 8846TIP3    H227987   3.239   5.858   6.385 -0.8712 -0.7487 -0.3807
+ 8847TIP3   OH227988   5.160   2.681   0.680 -0.3072 -0.2139 -0.2137
+ 8847TIP3    H127989   5.159   2.713   0.589 -0.9504  0.6530  0.0837
+ 8847TIP3    H227990   5.070   2.694   0.710 -0.0755 -0.4254  0.5706
+ 8848TIP3   OH227991   5.874   1.029   6.568  0.3216  0.3360  0.0317
+ 8848TIP3    H127992   5.804   1.052   6.506 -0.0486 -1.1321 -0.1058
+ 8848TIP3    H227993   5.915   1.113   6.589 -0.5147  1.0362 -1.0447
+ 8849TIP3   OH227994   3.679   3.091   6.310  0.5861 -0.3509 -0.2565
+ 8849TIP3    H127995   3.613   3.094   6.241  0.9268 -2.7103 -0.7080
+ 8849TIP3    H227996   3.754   3.137   6.273 -0.2473  0.9942 -0.3166
+ 8850TIP3   OH227997   1.598   1.794   5.945  0.2420  0.2449  0.2604
+ 8850TIP3    H127998   1.663   1.846   5.899  0.1895 -1.3507 -1.7306
+ 8850TIP3    H227999   1.519   1.801   5.891 -0.8550  1.0909  1.9434
+ 8851TIP3   OH228000   1.014   1.857   4.765 -0.7870  0.0458 -0.5405
+ 8851TIP3    H128001   0.962   1.788   4.805  0.9403 -1.1707 -0.3162
+ 8851TIP3    H228002   0.950   1.920   4.733 -2.3641 -1.2129  0.0572
+ 8852TIP3   OH228003   6.664   5.238   5.093  0.1587  0.5472 -0.1873
+ 8852TIP3    H128004   6.716   5.168   5.054  1.7047  1.9042 -0.6377
+ 8852TIP3    H228005   6.592   5.251   5.032 -0.4595 -1.0358  0.1926
+ 8853TIP3   OH228006   0.906   1.040   6.131  0.0027 -0.4648  0.4495
+ 8853TIP3    H128007   0.837   1.024   6.195 -0.4747  0.3620  0.1458
+ 8853TIP3    H228008   0.955   1.114   6.167 -0.6652  0.4301 -0.4508
+ 8854TIP3   OH228009   6.414   3.660   6.726 -0.0529 -0.0974 -0.4648
+ 8854TIP3    H128010   6.363   3.580   6.733  1.0992 -0.8250 -0.2237
+ 8854TIP3    H228011   6.414   3.696   6.815  0.7322 -0.6622 -0.2258
+ 8855TIP3   OH228012   0.430   2.690   5.565  1.0927  0.4541 -0.4103
+ 8855TIP3    H128013   0.449   2.598   5.580  3.5901  0.8995 -0.6751
+ 8855TIP3    H228014   0.352   2.707   5.619  0.4987 -1.8172 -0.4949
+ 8856TIP3   OH228015   4.329   3.434   6.406  0.2091 -0.1579  0.0108
+ 8856TIP3    H128016   4.277   3.354   6.396 -0.7900  0.5541 -0.6063
+ 8856TIP3    H228017   4.420   3.404   6.400 -0.1625 -1.0577 -1.8511
+ 8857TIP3   OH228018   6.727   3.003   5.870 -0.3156  0.7528 -0.0007
+ 8857TIP3    H128019   6.805   3.054   5.893  0.5588 -0.8761  0.7574
+ 8857TIP3    H228020   6.679   2.995   5.953  0.8109 -1.7346  0.4395
+ 8858TIP3   OH228021   5.474   2.611   4.246 -0.1347  0.5164  0.4830
+ 8858TIP3    H128022   5.441   2.529   4.208 -0.0876  1.0508 -0.7042
+ 8858TIP3    H228023   5.505   2.585   4.333 -0.9374 -0.5654  0.4667
+ 8859TIP3   OH228024   4.855   4.083   5.273  0.1839 -0.2566  0.3004
+ 8859TIP3    H128025   4.921   4.142   5.310  1.2081 -1.5777  0.6298
+ 8859TIP3    H228026   4.857   4.100   5.179 -0.3502  1.0413  0.5139
+ 8860TIP3   OH228027   1.201   3.313   4.660 -0.1501 -0.4125  0.3628
+ 8860TIP3    H128028   1.178   3.389   4.713 -1.5739  0.7330 -1.8428
+ 8860TIP3    H228029   1.136   3.247   4.684 -0.8252  0.1221  0.0170
+ 8861TIP3   OH228030   1.097   2.802   2.831 -0.0212  0.4286 -0.0696
+ 8861TIP3    H128031   1.093   2.743   2.907 -1.6641  1.6261  0.8259
+ 8861TIP3    H228032   1.116   2.744   2.757 -0.1792 -1.0263  0.9886
+ 8862TIP3   OH228033   4.683   0.315   6.030  0.2904 -0.2666 -0.0495
+ 8862TIP3    H128034   4.606   0.258   6.031 -0.4233  0.6876 -0.1623
+ 8862TIP3    H228035   4.707   0.322   5.938  0.4059 -0.4210 -0.0310
+ 8863TIP3   OH228036   5.012   4.303   5.839 -0.8012 -0.3830  0.1235
+ 8863TIP3    H128037   5.081   4.264   5.893  1.1956  3.6318  0.6815
+ 8863TIP3    H228038   4.940   4.318   5.899 -0.3416 -0.2209  0.6367
+ 8864TIP3   OH228039   5.549   1.487   6.304 -0.0362  0.1807 -0.7556
+ 8864TIP3    H128040   5.500   1.569   6.306  0.0987  0.2412  0.7523
+ 8864TIP3    H228041   5.640   1.513   6.317  0.0463 -0.1842 -0.6060
+ 8865TIP3   OH228042   5.690   4.582   1.248  0.6227  0.3002  0.3543
+ 8865TIP3    H128043   5.736   4.544   1.323  0.1118  0.2104  0.6266
+ 8865TIP3    H228044   5.603   4.543   1.252  0.2887  1.0317  0.2744
+ 8866TIP3   OH228045   0.664   4.032   1.361 -0.0827  0.4952  0.5565
+ 8866TIP3    H128046   0.645   3.977   1.437 -0.6755 -0.0904 -0.0059
+ 8866TIP3    H228047   0.759   4.036   1.358  0.0280 -1.8095 -0.2909
+ 8867TIP3   OH228048   6.562   2.043   0.147 -0.3413 -0.2263 -0.1173
+ 8867TIP3    H128049   6.499   2.078   0.209 -0.1868  0.4042 -0.3121
+ 8867TIP3    H228050   6.611   1.978   0.196  1.9571  2.5238  1.3757
+ 8868TIP3   OH228051   6.072   2.706   4.937  0.4120  0.1000  0.1495
+ 8868TIP3    H128052   6.001   2.739   4.991  0.1041  0.0808 -0.2453
+ 8868TIP3    H228053   6.042   2.620   4.907  0.1099  0.5947 -0.9650
+ 8869TIP3   OH228054   4.521   2.544   6.822 -0.2773  0.7552  0.0882
+ 8869TIP3    H128055   4.550   2.494   6.898  1.0563  2.4957  0.7616
+ 8869TIP3    H228056   4.427   2.557   6.835 -0.0948  0.8432  1.3416
+ 8870TIP3   OH228057   5.185   6.788   5.708 -0.7063 -0.0601  0.4488
+ 8870TIP3    H128058   5.261   6.732   5.690 -0.4335 -0.1327  1.7570
+ 8870TIP3    H228059   5.152   6.812   5.622  1.7976  1.3437 -0.1705
+ 8871TIP3   OH228060   4.060   1.135   0.546 -1.0164 -0.5748 -0.1001
+ 8871TIP3    H128061   4.122   1.085   0.599 -1.3831 -1.1469 -0.2082
+ 8871TIP3    H228062   4.002   1.176   0.610 -1.2506 -0.9900 -0.0462
+ 8872TIP3   OH228063   0.661   4.426   0.800 -0.0561  0.0359 -0.3490
+ 8872TIP3    H128064   0.662   4.521   0.786 -0.1638 -0.1126 -1.3506
+ 8872TIP3    H228065   0.631   4.416   0.891  2.4494  1.0563  0.6406
+ 8873TIP3   OH228066   6.397   3.777   5.843  0.0161 -0.3298 -0.4325
+ 8873TIP3    H128067   6.402   3.751   5.751 -0.1459  0.1695 -0.5834
+ 8873TIP3    H228068   6.400   3.694   5.892  3.6564 -0.4377 -0.7154
+ 8874TIP3   OH228069   1.965   2.815   6.033 -0.0760  0.1045  0.0371
+ 8874TIP3    H128070   1.977   2.840   5.942 -0.1905 -1.2432 -0.3503
+ 8874TIP3    H228071   2.052   2.828   6.073 -0.0697  0.8500 -0.2113
+ 8875TIP3   OH228072   5.475   4.129   5.210  0.3313  0.9425 -0.1091
+ 8875TIP3    H128073   5.446   4.078   5.134  1.0241  1.5487 -0.7924
+ 8875TIP3    H228074   5.483   4.219   5.176 -1.0436  1.5420  1.1186
+ 8876TIP3   OH228075   4.334   2.811   0.164  0.4992  0.9645 -0.3613
+ 8876TIP3    H128076   4.330   2.896   0.207  0.6153  0.3322  0.9245
+ 8876TIP3    H228077   4.397   2.760   0.216 -1.6230 -0.8203  0.6084
+ 8877TIP3   OH228078   0.295   5.527   4.337 -0.9249  0.0309 -0.1375
+ 8877TIP3    H128079   0.390   5.522   4.344 -0.9572 -1.9025 -0.8864
+ 8877TIP3    H228080   0.277   5.618   4.312  0.8589 -0.0781 -1.9131
+ 8878TIP3   OH228081   5.144   0.994   1.898 -0.4740  0.2978  0.1556
+ 8878TIP3    H128082   5.223   1.044   1.880 -0.9421  1.4994  1.2605
+ 8878TIP3    H228083   5.075   1.042   1.852 -0.9795  0.9051  1.5003
+ 8879TIP3   OH228084   5.882   2.857   3.687  0.4895  0.5828 -0.2019
+ 8879TIP3    H128085   5.830   2.780   3.664  0.5619  1.1397 -2.3532
+ 8879TIP3    H228086   5.969   2.840   3.651  0.4956  1.6827 -0.7373
+ 8880TIP3   OH228087   6.018   2.292   5.183  0.5702  0.0648  0.2184
+ 8880TIP3    H128088   6.010   2.198   5.163  0.3036 -0.0154  0.6966
+ 8880TIP3    H228089   6.055   2.295   5.271  1.4949  0.4167 -0.1808
+ 8881TIP3   OH228090   1.205   1.421   0.351  0.0848  0.5907  0.1325
+ 8881TIP3    H128091   1.267   1.385   0.288  0.6358 -0.4993  1.2826
+ 8881TIP3    H228092   1.255   1.427   0.433 -1.4927 -0.9270  1.2413
+ 8882TIP3   OH228093   6.569   0.960   4.625  0.8760  0.1722 -0.4075
+ 8882TIP3    H128094   6.547   1.017   4.699  0.4009  0.4214 -0.7419
+ 8882TIP3    H228095   6.622   0.890   4.664  2.0097  1.1736 -0.0960
+ 8883TIP3   OH228096   5.328   1.841   6.619  0.0783  0.0493  0.3854
+ 8883TIP3    H128097   5.343   1.930   6.653 -2.5891  0.1280  1.4862
+ 8883TIP3    H228098   5.350   1.784   6.693 -1.5696 -0.0102  0.8366
+ 8884TIP3   OH228099   1.560   5.071   0.833  0.2990 -0.2930  0.1920
+ 8884TIP3    H128100   1.563   5.094   0.926 -1.1425 -0.3708  0.2750
+ 8884TIP3    H228101   1.580   5.152   0.787 -0.1726  0.0289  0.5515
+ 8885TIP3   OH228102   1.811   3.932   0.265 -0.4030 -0.1440  0.3052
+ 8885TIP3    H128103   1.818   4.026   0.284  1.2655 -0.3192  0.5870
+ 8885TIP3    H228104   1.895   3.895   0.291 -0.9281 -1.6818 -0.1030
+ 8886TIP3   OH228105   0.354   5.988   0.619  0.5199 -0.7216  0.8214
+ 8886TIP3    H128106   0.377   5.899   0.645 -0.8703 -0.9851  1.1762
+ 8886TIP3    H228107   0.337   5.983   0.525  0.1579 -0.8907  0.8962
+ 8887TIP3   OH228108   0.115   4.189   6.435 -0.1212 -0.1594 -0.3117
+ 8887TIP3    H128109   0.081   4.209   6.523  0.6439 -0.9187  0.1662
+ 8887TIP3    H228110   0.205   4.220   6.437  0.9408 -3.1383  0.2864
+ 8888TIP3   OH228111   0.309   5.368   6.087 -0.0893  0.1550  0.2130
+ 8888TIP3    H128112   0.250   5.292   6.080 -1.0807  0.9971 -0.7954
+ 8888TIP3    H228113   0.373   5.356   6.017  0.0633 -0.0151  0.3816
+ 8889TIP3   OH228114   0.153   4.474   2.527  0.1025 -0.0451  0.2493
+ 8889TIP3    H128115   0.150   4.430   2.442  0.8947  1.0781 -0.3711
+ 8889TIP3    H228116   0.084   4.541   2.521  1.0695  0.9418 -0.0355
+ 8890TIP3   OH228117   0.242   4.257   1.398 -0.0559 -0.1384 -0.1564
+ 8890TIP3    H128118   0.324   4.236   1.445 -0.4211 -0.1163  0.5006
+ 8890TIP3    H228119   0.246   4.352   1.387 -0.1603 -0.0877  0.2076
+ 8891TIP3   OH228120   6.189   3.562   0.013 -0.1487 -0.1889  0.3904
+ 8891TIP3    H128121   6.142   3.605   0.085 -0.7391 -0.9204  0.4472
+ 8891TIP3    H228122   6.125   3.556  -0.057 -0.0326 -0.8749  0.3434
+ 8892TIP3   OH228123   0.517   3.310   5.149  0.3662  0.1939 -0.4723
+ 8892TIP3    H128124   0.550   3.305   5.239  0.6439 -0.6202 -0.6198
+ 8892TIP3    H228125   0.473   3.396   5.145  0.2556  0.1913  0.4683
+ 8893TIP3   OH228126   0.630   4.511   6.698  0.6198 -0.0447  0.1046
+ 8893TIP3    H128127   0.601   4.447   6.763  0.6858 -0.5424 -0.3617
+ 8893TIP3    H228128   0.601   4.595   6.733  1.2513 -0.2379  1.1224
+ 8894TIP3   OH228129   6.384   4.423   0.142  0.0249 -0.3761 -0.5916
+ 8894TIP3    H128130   6.341   4.488   0.197  0.0804 -0.2219 -0.7310
+ 8894TIP3    H228131   6.354   4.441   0.054 -0.9564 -1.3487 -0.4647
+ 8895TIP3   OH228132   1.118   5.309   5.093 -0.4737  0.0828  0.0835
+ 8895TIP3    H128133   1.122   5.272   5.004  1.8612 -0.3054  0.3075
+ 8895TIP3    H228134   1.038   5.362   5.094  0.0075  0.9320 -2.5948
+ 8896TIP3   OH228135   0.471   3.779   5.481 -0.3757 -0.1262  0.1352
+ 8896TIP3    H128136   0.548   3.740   5.442 -0.3793  0.5429 -0.5406
+ 8896TIP3    H228137   0.398   3.753   5.424 -0.1770  2.1416 -1.2382
+ 8897TIP3   OH228138   0.090   2.588   4.641  0.0585  0.2032 -0.0206
+ 8897TIP3    H128139   0.074   2.665   4.696  2.1785  1.5674 -1.2122
+ 8897TIP3    H228140   0.172   2.552   4.675  0.0600 -0.4098 -0.6854
+ 8898TIP3   OH228141   2.784   6.121   6.347 -0.3601 -0.0611 -0.5164
+ 8898TIP3    H128142   2.696   6.096   6.320  0.3208 -1.8804 -1.1254
+ 8898TIP3    H228143   2.830   6.139   6.266  0.8003 -2.4912 -0.4333
+ 8899TIP3   OH228144   2.755   5.348   0.194  0.2693  0.1995  0.0836
+ 8899TIP3    H128145   2.846   5.374   0.181  0.3146 -0.6557 -1.4996
+ 8899TIP3    H228146   2.722   5.330   0.105 -1.4490  0.5491  0.6310
+ 8900TIP3   OH228147   5.773   4.390   5.631  0.4501 -0.6923  0.5977
+ 8900TIP3    H128148   5.728   4.436   5.701  1.3484 -1.1894  1.5081
+ 8900TIP3    H228149   5.709   4.327   5.598  0.4610 -1.3568  1.8461
+ 8901TIP3   OH228150   4.889   3.315   2.190  0.3410  0.0481  0.5075
+ 8901TIP3    H128151   4.965   3.321   2.248 -0.1106 -1.7738  1.3276
+ 8901TIP3    H228152   4.856   3.226   2.202 -0.0656 -0.2192 -2.2004
+ 8902TIP3   OH228153   2.266   4.790   2.639  0.9110 -0.2178 -0.3342
+ 8902TIP3    H128154   2.359   4.767   2.633  0.7877 -0.5730 -0.9112
+ 8902TIP3    H228155   2.241   4.812   2.549 -0.0576 -2.0544 -0.5413
+ 8903TIP3   OH228156   1.669   2.758   5.547 -0.1383 -0.0134 -0.3671
+ 8903TIP3    H128157   1.680   2.692   5.478  0.5528 -1.5247  1.1608
+ 8903TIP3    H228158   1.750   2.810   5.543  0.5144 -0.9706  0.2023
+ 8904TIP3   OH228159   2.156   5.350   0.080  0.2683  0.3046 -0.0938
+ 8904TIP3    H128160   2.080   5.387   0.033 -0.9806 -1.2620  0.6613
+ 8904TIP3    H228161   2.122   5.327   0.166  0.7884 -3.3808 -0.7935
+ 8905TIP3   OH228162   1.099   4.509   4.898  0.1097 -0.0814  0.2063
+ 8905TIP3    H128163   1.012   4.532   4.865  0.2149 -0.6268 -0.4590
+ 8905TIP3    H228164   1.142   4.594   4.909  0.6422  0.0758 -2.6526
+ 8906TIP3   OH228165   0.215   5.177   4.998  0.3534  0.9821  0.4237
+ 8906TIP3    H128166   0.281   5.185   4.929  2.9068 -1.0677  2.5334
+ 8906TIP3    H228167   0.188   5.267   5.016  2.8048  1.9077 -0.3087
+ 8907TIP3   OH228168   6.833   3.809   5.063  0.4416 -0.2304 -0.2410
+ 8907TIP3    H128169   6.838   3.881   5.001 -1.6485 -0.8839 -1.2062
+ 8907TIP3    H228170   6.739   3.795   5.077  0.7707 -3.0902 -0.5101
+ 8908TIP3   OH228171   2.695   5.651   0.644 -0.0197 -0.0318  0.2705
+ 8908TIP3    H128172   2.766   5.588   0.658  1.7398  1.5771 -1.2295
+ 8908TIP3    H228173   2.643   5.613   0.573  0.2035 -0.5011  0.3584
+ 8909TIP3   OH228174   2.679   4.339   2.531  0.6102  0.4127  0.3237
+ 8909TIP3    H128175   2.762   4.383   2.548  0.7131  1.8392 -3.5388
+ 8909TIP3    H228176   2.701   4.268   2.471 -0.7764 -0.0918  0.3828
+ 8910TIP3   OH228177   0.438   5.304   5.480 -0.1265 -0.1473  0.1051
+ 8910TIP3    H128178   0.456   5.295   5.386  0.8471 -1.8226  0.4462
+ 8910TIP3    H228179   0.373   5.237   5.498 -0.0377 -0.0669  0.7142
+ 8911TIP3   OH228180   1.600   4.956   6.910  0.1990  0.7896  0.1402
+ 8911TIP3    H128181   1.668   5.017   6.886 -0.6666  1.5305 -0.4576
+ 8911TIP3    H228182   1.630   4.871   6.877  0.5694  1.2071 -0.5924
+ 8912TIP3   OH228183   1.016   0.017   2.028  0.3631 -0.2179  0.6416
+ 8912TIP3    H128184   0.971   0.077   2.088  0.1257  0.2057  0.0414
+ 8912TIP3    H228185   0.999   0.053   1.941  0.5278 -0.9523  0.3054
+ 8913TIP3   OH228186   0.828   3.529   1.010 -0.0130  0.5954  0.2048
+ 8913TIP3    H128187   0.888   3.535   0.936 -0.1659 -0.1657  0.0148
+ 8913TIP3    H228188   0.822   3.619   1.043 -1.6714  1.3819 -2.0904
+ 8914TIP3   OH228189   1.534   4.985   2.357  0.3455  0.2834 -0.5039
+ 8914TIP3    H128190   1.493   5.024   2.279  0.5176 -1.3337 -1.4301
+ 8914TIP3    H228191   1.600   4.925   2.322 -1.9529 -3.1546  0.7203
+ 8915TIP3   OH228192   1.829   3.900   5.612  0.7558 -0.6205 -0.2433
+ 8915TIP3    H128193   1.914   3.943   5.618  0.7702 -0.4457 -1.5514
+ 8915TIP3    H228194   1.766   3.968   5.633  0.9866 -1.1902  2.5822
+ 8916TIP3   OH228195   0.495   5.190   1.832  0.0224  0.1846  0.4149
+ 8916TIP3    H128196   0.457   5.127   1.771 -0.8711  0.1046  1.0420
+ 8916TIP3    H228197   0.512   5.138   1.911  1.3336  0.2459  0.1751
+ 8917TIP3   OH228198   6.855   4.188   6.708  0.1514 -0.2275  0.4529
+ 8917TIP3    H128199   6.844   4.134   6.786  0.8039  0.3632  0.9601
+ 8917TIP3    H228200   6.805   4.267   6.726  1.7950  0.7037  1.0568
+ 8918TIP3   OH228201   1.664   5.535   6.558 -0.4478  0.1168 -0.1134
+ 8918TIP3    H128202   1.636   5.528   6.466 -1.1841 -0.7123  0.1688
+ 8918TIP3    H228203   1.753   5.571   6.553 -0.1132 -0.8019 -1.2133
+ 8919TIP3   OH228204   1.209   5.966   1.451 -0.4484 -0.2881 -0.3264
+ 8919TIP3    H128205   1.206   5.876   1.485 -2.3548 -0.7620 -1.6335
+ 8919TIP3    H228206   1.285   5.968   1.394  2.0511  0.1520  2.8872
+ 8920TIP3   OH228207   1.629   6.292   5.965  0.0495  0.0074 -0.2439
+ 8920TIP3    H128208   1.548   6.294   6.016 -0.9673 -0.5085 -1.7894
+ 8920TIP3    H228209   1.662   6.382   5.970 -1.7622  0.7717 -1.3319
+ 8921TIP3   OH228210   0.369   0.171   0.048 -0.2936 -0.2991  0.1250
+ 8921TIP3    H128211   0.375   0.230   0.122  2.5866 -0.8023  0.3386
+ 8921TIP3    H228212   0.411   0.218  -0.024  0.5539 -1.3997 -0.1213
+ 8922TIP3   OH228213   0.205   3.442   1.425  0.2138  0.1906  0.0841
+ 8922TIP3    H128214   0.197   3.434   1.520 -4.2853  0.3779 -0.1925
+ 8922TIP3    H228215   0.253   3.363   1.399  1.9366  0.3819  2.5173
+ 8923TIP3   OH228216   2.730   4.631   5.387 -0.1012  0.0781 -0.5728
+ 8923TIP3    H128217   2.687   4.637   5.301 -0.6143  0.8072 -0.2714
+ 8923TIP3    H228218   2.719   4.540   5.413  0.9521 -0.3947 -1.7408
+ 8924TIP3   OH228219   0.340   4.783   5.009 -0.5162 -0.4004 -0.4263
+ 8924TIP3    H128220   0.301   4.862   5.047  0.9236 -0.3547  1.0296
+ 8924TIP3    H228221   0.353   4.725   5.084 -0.8809 -1.7191 -1.3800
+ 8925TIP3   OH228222   5.631   0.379   5.496 -0.3390 -0.1980 -0.1140
+ 8925TIP3    H128223   5.576   0.330   5.557  0.0503  0.1651  0.5313
+ 8925TIP3    H228224   5.720   0.347   5.511 -0.0373  0.9259  0.5405
+ 8926TIP3   OH228225   1.609   3.293   6.140  0.4829  0.4520 -0.8385
+ 8926TIP3    H128226   1.614   3.211   6.092 -0.5684  1.3823 -2.5727
+ 8926TIP3    H228227   1.550   3.275   6.214  0.0271 -0.2630 -1.3813
+ 8927TIP3   OH228228   5.426   2.965   5.096  0.3735 -0.5702 -0.0401
+ 8927TIP3    H128229   5.341   2.952   5.054  0.1075 -1.9052  0.8777
+ 8927TIP3    H228230   5.407   3.013   5.176  0.7835  1.2151 -0.9750
+ 8928TIP3   OH228231   1.459   2.938   1.009 -0.2790  0.6926 -0.1925
+ 8928TIP3    H128232   1.380   2.947   0.956 -0.2448  2.0646 -0.0358
+ 8928TIP3    H228233   1.472   2.844   1.018 -1.2611  0.4601 -1.1631
+ 8929TIP3   OH228234   1.334   3.592   5.700 -0.1999  0.4181  0.0410
+ 8929TIP3    H128235   1.324   3.524   5.633 -0.3111  1.5152 -1.0626
+ 8929TIP3    H228236   1.424   3.623   5.690 -0.1904  0.5299  0.4629
+ 8930TIP3   OH228237   6.867   3.700   6.595 -0.2018 -0.3505  0.1516
+ 8930TIP3    H128238   6.786   3.659   6.564  0.0139 -0.4633 -0.2692
+ 8930TIP3    H228239   6.859   3.791   6.569 -0.1554 -0.3801  0.0334
+ 8931TIP3   OH228240   0.244   4.934   4.622  0.1474 -0.1962 -0.3187
+ 8931TIP3    H128241   0.291   4.876   4.681 -0.4089  0.5362  0.8643
+ 8931TIP3    H228242   0.312   4.989   4.583  0.4760 -0.4547 -0.1128
+ 8932TIP3   OH228243   1.055   3.384   4.189  0.0359  0.0885 -0.0608
+ 8932TIP3    H128244   1.113   3.370   4.264 -0.8541  0.6003  0.7341
+ 8932TIP3    H228245   1.069   3.475   4.163 -1.8461  0.8247  1.3948
+ 8933TIP3   OH228246   1.637   4.207   0.650  0.4554  0.4145  0.3690
+ 8933TIP3    H128247   1.707   4.149   0.679 -1.4806 -1.8342  0.7307
+ 8933TIP3    H228248   1.558   4.172   0.691 -0.8292  3.1296  0.3045
+ 8934TIP3   OH228249   5.823   6.775   5.381 -0.0349  0.3405 -0.3634
+ 8934TIP3    H128250   5.731   6.752   5.386 -0.3702  1.4826 -0.9960
+ 8934TIP3    H228251   5.830   6.857   5.431  1.1020 -1.0262  1.7737
+ 8935TIP3   OH228252   0.966   3.605   6.302 -0.6908 -0.0472 -0.3562
+ 8935TIP3    H128253   0.947   3.563   6.386  1.4774  0.2142  0.3211
+ 8935TIP3    H228254   0.998   3.534   6.247  0.2283  0.1794 -0.1374
+ 8936TIP3   OH228255   5.696   4.394   5.229  0.1297 -0.7387 -0.3457
+ 8936TIP3    H128256   5.608   4.425   5.249  0.5326 -0.2987  0.7749
+ 8936TIP3    H228257   5.699   4.388   5.134 -0.7775  0.2178 -0.4350
+ 8937TIP3   OH228258   0.867   5.884   6.397 -0.4093 -0.1404  0.0183
+ 8937TIP3    H128259   0.945   5.834   6.421  0.7953  1.5878 -0.1947
+ 8937TIP3    H228260   0.875   5.898   6.303 -1.3646 -0.5909 -0.1337
+ 8938TIP3   OH228261   0.996   3.095   5.938  0.1010  0.1287 -0.4751
+ 8938TIP3    H128262   0.921   3.044   5.907  0.7857 -1.1466 -0.0560
+ 8938TIP3    H228263   0.958   3.178   5.968 -1.0760 -0.3083 -0.7497
+ 8939TIP3   OH228264   0.382   5.999   6.510 -0.0228 -0.2864 -0.1397
+ 8939TIP3    H128265   0.459   5.977   6.458 -0.6434 -0.8467 -0.8224
+ 8939TIP3    H228266   0.322   6.041   6.448  0.8609  2.7208  0.9869
+ 8940TIP3   OH228267   2.994   4.293   5.555  0.4537 -0.3338 -0.0801
+ 8940TIP3    H128268   3.019   4.253   5.638  1.9006 -2.0004 -1.2758
+ 8940TIP3    H228269   3.052   4.369   5.547 -0.6325  0.6599  1.0341
+ 8941TIP3   OH228270   1.286   3.910   4.604 -0.4690 -0.4780 -0.0027
+ 8941TIP3    H128271   1.305   3.998   4.571  0.2303 -0.3040  0.8271
+ 8941TIP3    H228272   1.198   3.891   4.572 -0.7961  0.6981  0.1431
+ 8942TIP3   OH228273   0.281   3.627   6.769 -0.5694 -0.1486  0.3291
+ 8942TIP3    H128274   0.314   3.693   6.708 -0.0152 -1.1286 -0.4594
+ 8942TIP3    H228275   0.260   3.676   6.848  0.8199  0.8252  0.1253
+ 8943TIP3   OH228276   1.699   4.720   6.811 -0.4335 -0.4034  0.2516
+ 8943TIP3    H128277   1.638   4.661   6.767 -0.4062 -0.2307 -0.0214
+ 8943TIP3    H228278   1.766   4.663   6.848 -1.2640 -0.6734  1.3606
+ 8944TIP3   OH228279   1.228   6.003   6.616 -0.4464  0.2186  0.7287
+ 8944TIP3    H128280   1.289   6.061   6.570  1.3842 -2.6510 -0.6393
+ 8944TIP3    H228281   1.247   6.017   6.708  1.5785  0.2003  0.3528
+ 8945TIP3   OH228282   6.790   5.026   2.357 -0.0463  0.5616  0.6814
+ 8945TIP3    H128283   6.817   5.117   2.342  2.4283 -0.4286 -1.0197
+ 8945TIP3    H228284   6.866   4.983   2.395 -0.9405 -1.0285  0.7394
+ 8946TIP3   OH228285   2.000   6.292   2.122 -0.0531  0.3463 -0.1281
+ 8946TIP3    H128286   2.091   6.262   2.132 -0.2463  0.7995  3.8717
+ 8946TIP3    H228287   1.964   6.236   2.054  3.4302  0.7130 -2.4329
+ 8947TIP3   OH228288   0.248   0.999   5.970  0.0741 -0.0418  0.1683
+ 8947TIP3    H128289   0.242   1.050   5.890  1.8253 -1.5092 -0.9269
+ 8947TIP3    H228290   0.300   1.053   6.029  0.7893  0.0149 -0.5122
+ 8948TIP3   OH228291   5.789   4.172   5.859 -0.1143 -0.0451 -0.3666
+ 8948TIP3    H128292   5.747   4.086   5.867  0.6243 -0.4273 -0.4918
+ 8948TIP3    H228293   5.789   4.190   5.765 -0.2100  0.0626 -0.3456
+ 8949TIP3   OH228294   6.075   4.743   5.642 -0.7884  0.2306  0.0185
+ 8949TIP3    H128295   6.016   4.773   5.573 -0.1970  0.3206 -0.4570
+ 8949TIP3    H228296   6.069   4.648   5.639 -1.4066  0.2509  0.4179
+ 8950TIP3   OH228297   1.981   6.160   6.751  0.4880 -0.1226 -0.4745
+ 8950TIP3    H128298   1.943   6.248   6.745 -0.3648 -0.5377 -1.2135
+ 8950TIP3    H228299   2.057   6.171   6.808  1.1763  1.3752 -1.6388
+ 8951TIP3   OH228300   0.047   4.879   5.664  0.3566 -0.3417  0.1550
+ 8951TIP3    H128301   0.091   4.961   5.688  1.1089 -0.2724 -1.3803
+ 8951TIP3    H228302  -0.026   4.872   5.725  0.2784  1.4936  0.3041
+ 8952TIP3   OH228303   1.081   0.343   5.514  0.1465 -0.0975  0.0477
+ 8952TIP3    H128304   0.988   0.320   5.526  0.2635  0.2177  1.5764
+ 8952TIP3    H228305   1.114   0.275   5.454 -0.5870 -1.3863  1.0675
+ 8953TIP3   OH228306   3.803   6.149   6.688  0.8103  0.4169 -0.1384
+ 8953TIP3    H128307   3.797   6.244   6.684 -0.9339  0.3326 -0.1282
+ 8953TIP3    H228308   3.888   6.128   6.649  1.4434  2.0005  0.3566
+ 8954TIP3   OH228309   2.851   4.101   0.691 -0.6320  0.1255  0.1400
+ 8954TIP3    H128310   2.870   4.194   0.705  0.9391 -0.2589  0.6358
+ 8954TIP3    H228311   2.890   4.057   0.767 -0.8906 -0.9851 -0.3635
+ 8955TIP3   OH228312   6.872   6.500   5.662  0.3049  0.1319 -0.3056
+ 8955TIP3    H128313   6.830   6.585   5.674 -0.5182 -0.5511  1.8710
+ 8955TIP3    H228314   6.820   6.456   5.595 -0.1342  0.7858 -0.3986
+ 8956TIP3   OH228315   0.305   2.669   5.210 -0.3371 -0.3812  0.3020
+ 8956TIP3    H128316   0.349   2.584   5.203 -0.5331 -0.6741  2.2982
+ 8956TIP3    H228317   0.316   2.694   5.302 -0.9308  1.4094 -0.0981
+ 8957TIP3   OH228318   0.715   5.841   0.631  0.8603  0.1755  0.2544
+ 8957TIP3    H128319   0.669   5.852   0.547  1.0972 -2.0754 -0.2046
+ 8957TIP3    H228320   0.686   5.755   0.663  0.1498  1.3681  2.8944
+ 8958TIP3   OH228321   0.264   3.966   6.738  0.0282  0.2980 -0.2733
+ 8958TIP3    H128322   0.192   4.005   6.787  1.2590 -0.4231  2.2342
+ 8958TIP3    H228323   0.341   3.980   6.794  1.4199 -0.9678 -1.8100
+ 8959TIP3   OH228324   6.462   2.928   6.914  0.2109 -0.0090 -0.0332
+ 8959TIP3    H128325   6.497   2.997   6.857  1.9548 -0.9214 -0.1186
+ 8959TIP3    H228326   6.483   2.847   6.867 -1.6743 -0.6121  0.1426
+ 8960TIP3   OH228327   5.479   3.723   5.197 -0.1625 -0.1263 -0.5208
+ 8960TIP3    H128328   5.407   3.755   5.143  0.2279  1.8213  0.0781
+ 8960TIP3    H228329   5.557   3.737   5.145 -0.0521 -0.7121 -0.5129
+ 8961TIP3   OH228330   1.539   4.598   6.397 -0.6024 -0.2688  0.0219
+ 8961TIP3    H128331   1.566   4.593   6.305  0.1887 -0.9600  0.2875
+ 8961TIP3    H228332   1.585   4.675   6.431 -2.1911  0.9657 -0.5796
+ 8962TIP3   OH228333   2.873   4.581   6.359 -0.2832  0.3748  0.0783
+ 8962TIP3    H128334   2.844   4.610   6.273  0.0643 -0.6691 -0.4095
+ 8962TIP3    H228335   2.792   4.558   6.405 -0.4246  0.2761 -0.2178
+ 8963TIP3   OH228336   6.816   1.021   6.395 -0.3026  0.2790 -0.2729
+ 8963TIP3    H128337   6.819   1.075   6.317 -0.5611  1.7481  0.7192
+ 8963TIP3    H228338   6.753   0.952   6.374 -1.1233  1.2355 -1.0104
+ 8964TIP3   OH228339   1.631   3.566   4.330 -0.3122 -0.0693 -0.0160
+ 8964TIP3    H128340   1.544   3.598   4.352 -0.9951 -0.5842 -1.8841
+ 8964TIP3    H228341   1.617   3.501   4.261  1.6049  0.3943 -0.8978
+ 8965TIP3   OH228342   1.599   5.569   0.392 -0.2007 -0.0754 -0.0534
+ 8965TIP3    H128343   1.518   5.518   0.392  0.7155 -1.5906  0.6689
+ 8965TIP3    H228344   1.577   5.651   0.349 -1.7392 -1.0674 -1.1926
+ 8966TIP3   OH228345   6.558   2.979   6.084  0.0837  0.3640  0.0970
+ 8966TIP3    H128346   6.525   2.964   6.173  0.6995  0.2332  0.3047
+ 8966TIP3    H228347   6.491   3.034   6.043 -0.7886 -0.5631  0.2548
+ 8967TIP3   OH228348   6.425   3.555   5.990 -0.3894  0.0117 -0.0871
+ 8967TIP3    H128349   6.416   3.570   6.084 -1.1623 -1.0459  0.0213
+ 8967TIP3    H228350   6.369   3.479   5.972  0.3778 -0.3015 -1.2570
+ 8968TIP3   OH228351   5.863   4.104   0.961  0.9764 -0.1999 -0.1956
+ 8968TIP3    H128352   5.872   4.074   0.871 -0.4539  0.0952 -0.4424
+ 8968TIP3    H228353   5.940   4.159   0.976 -0.0015  1.7261 -2.0312
+ 8969TIP3   OH228354   1.970   4.851   4.186 -0.0298 -0.1521 -0.1021
+ 8969TIP3    H128355   1.894   4.840   4.243 -0.2399  0.8693 -0.1710
+ 8969TIP3    H228356   1.937   4.899   4.110  0.6420  0.1202 -0.2287
+ 8970TIP3   OH228357   1.863   5.347   5.670  0.3720  0.2006  0.4675
+ 8970TIP3    H128358   1.892   5.417   5.729 -2.4735  1.0131  0.9825
+ 8970TIP3    H228359   1.818   5.285   5.726 -0.8591  0.1040 -0.6073
+ 8971TIP3   OH228360   0.226  -0.016   4.699  0.7383  0.4505  0.2191
+ 8971TIP3    H128361   0.237   0.045   4.772 -1.6490  0.1675  0.8651
+ 8971TIP3    H228362   0.179   0.034   4.632 -2.2042 -0.9073  1.1779
+ 8972TIP3   OH228363   0.916   4.720   5.164  0.1911 -0.2566  0.1599
+ 8972TIP3    H128364   0.971   4.779   5.113 -1.2188 -0.4889 -1.6949
+ 8972TIP3    H228365   0.887   4.772   5.239  1.2579  0.4998  0.0569
+ 8973TIP3   OH228366   2.454   0.195   4.311 -0.6505 -0.2974 -0.3448
+ 8973TIP3    H128367   2.470   0.156   4.225 -0.9624 -0.0219 -0.5251
+ 8973TIP3    H228368   2.532   0.171   4.362  0.2352  0.8141 -1.1511
+ 8974TIP3   OH228369   2.765   5.102   0.330 -0.0626  0.1636  0.0418
+ 8974TIP3    H128370   2.805   5.052   0.260  0.3591  1.5370 -0.7196
+ 8974TIP3    H228371   2.764   5.192   0.298 -2.0957  0.4476  0.7820
+ 8975TIP3   OH228372   2.447   3.735   0.269 -0.6312  0.0281  0.0341
+ 8975TIP3    H128373   2.407   3.708   0.352  0.9391 -2.9915 -0.1098
+ 8975TIP3    H228374   2.392   3.695   0.202  0.9832 -1.8719 -0.2169
+ 8976TIP3   OH228375   0.668   2.342   4.678  0.1351  0.1439 -0.0495
+ 8976TIP3    H128376   0.641   2.250   4.676  0.5365  0.0101  0.5729
+ 8976TIP3    H228377   0.643   2.372   4.765 -0.3661  0.7423 -0.3968
+ 8977TIP3   OH228378   1.486   4.858   0.254  0.9634  0.6532 -0.4487
+ 8977TIP3    H128379   1.531   4.895   0.178  1.3140 -1.0682 -1.0960
+ 8977TIP3    H228380   1.557   4.835   0.315  0.9061 -0.9360 -0.9602
+ 8978TIP3   OH228381   4.251   0.507   0.347  0.0345 -0.4519 -0.1450
+ 8978TIP3    H128382   4.305   0.542   0.276 -2.0948  1.4525 -0.8805
+ 8978TIP3    H228383   4.169   0.557   0.343 -0.5558 -1.0155  2.9971
+ 8979TIP3   OH228384   1.490   4.932   5.827 -1.1272 -0.2016 -0.0506
+ 8979TIP3    H128385   1.425   4.937   5.897 -0.1265 -0.3627  0.9191
+ 8979TIP3    H228386   1.568   4.972   5.865 -0.5092 -0.4924 -1.0038
+ 8980TIP3   OH228387   0.115   5.684   0.262  0.1827  0.6307 -0.0490
+ 8980TIP3    H128388   0.124   5.593   0.235  0.9885  0.5045  0.5937
+ 8980TIP3    H228389   0.085   5.730   0.184 -1.7160 -0.4436  0.0349
+ 8981TIP3   OH228390   1.092   6.225   1.543  0.1154 -0.0307  0.7457
+ 8981TIP3    H128391   1.139   6.158   1.493  0.1722  0.6279 -0.0822
+ 8981TIP3    H228392   1.048   6.175   1.613 -2.2496 -1.3434 -1.5994
+ 8982TIP3   OH228393   0.985   4.158   0.797  0.2109 -0.3978  0.3114
+ 8982TIP3    H128394   0.992   4.066   0.823  0.5326 -0.6830 -0.7830
+ 8982TIP3    H228395   1.020   4.161   0.708  1.8260  1.0808  0.9607
+ 8983TIP3   OH228396   1.791   5.298   6.261  0.4848  0.0403  0.1689
+ 8983TIP3    H128397   1.834   5.380   6.282 -1.9748  1.7699 -1.2983
+ 8983TIP3    H228398   1.797   5.291   6.166  0.5728 -1.4338  0.2612
+ 8984TIP3   OH228399   1.477   2.354   5.603 -0.3018 -0.0806  0.2467
+ 8984TIP3    H128400   1.465   2.261   5.583 -0.5668  0.2985 -1.4191
+ 8984TIP3    H228401   1.567   2.374   5.576  0.3155 -0.2191  2.1200
+ 8985TIP3   OH228402   3.444   5.882   0.650 -0.6752  0.3241  0.0270
+ 8985TIP3    H128403   3.438   5.917   0.561 -0.9094  0.2070 -0.0057
+ 8985TIP3    H228404   3.537   5.869   0.664 -0.7789 -1.8234 -1.0660
+ 8986TIP3   OH228405   0.866   1.856   3.675  0.1147 -0.4165 -0.1169
+ 8986TIP3    H128406   0.920   1.793   3.723  0.2922  0.1562  0.4455
+ 8986TIP3    H228407   0.865   1.823   3.585 -0.3538 -1.5875  0.3142
+ 8987TIP3   OH228408   2.550   6.371   4.812  0.0214 -0.2897  0.1322
+ 8987TIP3    H128409   2.508   6.312   4.874  2.9946 -1.6788  0.8830
+ 8987TIP3    H228410   2.584   6.442   4.866 -1.0524  0.6816 -0.4433
+ 8988TIP3   OH228411   1.711   5.605   0.793  0.1506  0.6993  0.5952
+ 8988TIP3    H128412   1.689   5.582   0.883  0.4130  0.0167  0.4796
+ 8988TIP3    H228413   1.627   5.634   0.755 -0.8069 -2.8008 -0.1184
+ 8989TIP3   OH228414   5.087   4.818   6.048 -0.2067  0.8874  0.1100
+ 8989TIP3    H128415   5.182   4.820   6.042 -0.2176  0.4492 -0.2480
+ 8989TIP3    H228416   5.066   4.732   6.084 -0.4898  0.7536 -0.3581
+ 8990TIP3   OH228417   5.994   3.930   0.200 -0.0691  0.4402 -0.2188
+ 8990TIP3    H128418   6.051   3.970   0.135 -0.7698 -0.1658 -1.2232
+ 8990TIP3    H228419   6.027   3.961   0.284 -0.2312  2.6214 -0.9428
+ 8991TIP3   OH228420   1.746   3.957   6.500  1.1738  0.2462  0.4619
+ 8991TIP3    H128421   1.676   4.009   6.538  1.5763  0.3039  1.1383
+ 8991TIP3    H228422   1.751   3.985   6.409  0.1524  0.0561  0.3506
+ 8992TIP3   OH228423   0.280   4.908   1.755  0.8388  0.0552 -0.1792
+ 8992TIP3    H128424   0.376   4.912   1.752  1.0666 -2.2179  2.3520
+ 8992TIP3    H228425   0.257   4.841   1.691  1.0526 -0.4936  0.3149
+ 8993TIP3   OH228426   2.159   3.080   6.250 -0.4054 -0.5100  0.4052
+ 8993TIP3    H128427   2.075   3.125   6.260 -1.4803 -2.0867 -1.0672
+ 8993TIP3    H228428   2.219   3.146   6.216 -1.9146 -0.1053 -1.5785
+ 8994TIP3   OH228429   2.007   5.721   6.013 -0.2266 -0.7278 -0.2505
+ 8994TIP3    H128430   2.038   5.658   6.078 -0.9826  0.3835  1.2400
+ 8994TIP3    H228431   2.028   5.807   6.051 -1.9082 -0.0362 -0.8160
+ 8995TIP3   OH228432   1.797   0.232   5.839  0.2855  0.1947 -0.7061
+ 8995TIP3    H128433   1.706   0.211   5.819 -0.1015  0.4453  0.7005
+ 8995TIP3    H228434   1.804   0.219   5.934  1.4276  1.2351 -0.6334
+ 8996TIP3   OH228435   1.552   2.701   0.739 -0.3390  0.1483  0.8160
+ 8996TIP3    H128436   1.632   2.660   0.704 -0.5821 -0.8257  1.3909
+ 8996TIP3    H228437   1.502   2.628   0.774 -1.4088  0.7869  0.6155
+ 8997TIP3   OH228438   0.969   6.409   6.114  0.4110 -0.3537 -0.6880
+ 8997TIP3    H128439   1.012   6.329   6.146  2.3044  0.6013 -0.7563
+ 8997TIP3    H228440   0.979   6.471   6.186 -0.1014  0.1571 -1.0559
+ 8998TIP3   OH228441   2.680   4.758   0.088 -0.0941  0.2197  0.3767
+ 8998TIP3    H128442   2.756   4.800   0.127  0.9693  0.9558 -2.3464
+ 8998TIP3    H228443   2.714   4.679   0.046 -0.9560  0.1693 -0.2603
+ 8999TIP3   OH228444   0.806   4.202   3.707  0.0057 -0.1773  0.5045
+ 8999TIP3    H128445   0.843   4.178   3.622  2.1977 -0.4114  1.4970
+ 8999TIP3    H228446   0.877   4.248   3.751 -0.2858 -2.1673  3.1556
+ 9000TIP3   OH228447   4.178   3.653   6.479  0.4724  0.0910  0.4517
+ 9000TIP3    H128448   4.176   3.698   6.394  1.2744 -0.3594  0.1830
+ 9000TIP3    H228449   4.208   3.565   6.458  4.4737  1.0549  1.6243
+ 9001TIP3   OH228450   3.153   3.177   5.546 -0.1225 -0.1685  0.0623
+ 9001TIP3    H128451   3.163   3.271   5.529  0.7346 -0.3783 -0.6066
+ 9001TIP3    H228452   3.229   3.154   5.599 -0.6301 -0.3788  0.7153
+ 9002TIP3   OH228453   6.691   3.028   4.574 -0.1674 -0.4623  0.9268
+ 9002TIP3    H128454   6.738   2.945   4.570  0.1735 -0.2622  0.8017
+ 9002TIP3    H228455   6.662   3.035   4.666 -1.7880 -1.5981  0.5350
+ 9003TIP3   OH228456   1.142   3.094   4.928  0.3107  0.4114  0.2375
+ 9003TIP3    H128457   1.112   3.031   4.993 -0.8544 -0.0844 -0.7572
+ 9003TIP3    H228458   1.070   3.100   4.865  0.6818  2.2393 -0.0397
+ 9004TIP3   OH228459   6.268   4.384   5.697 -0.2162 -0.1771  0.3513
+ 9004TIP3    H128460   6.297   4.391   5.606 -1.1643 -3.2110 -0.2424
+ 9004TIP3    H228461   6.185   4.432   5.699 -1.4671 -2.1497 -1.0591
+ 9005TIP3   OH228462   0.475   4.295   5.537  0.6634  0.1425 -0.2542
+ 9005TIP3    H128463   0.527   4.224   5.498  0.3424 -0.5595  0.5732
+ 9005TIP3    H228464   0.432   4.254   5.612  1.1844  1.4469  0.7620
+ 9006TIP3   OH228465   2.672   4.697   4.534  0.3991 -0.3646  0.3457
+ 9006TIP3    H128466   2.585   4.685   4.495  0.1834 -3.0232  1.5214
+ 9006TIP3    H228467   2.657   4.695   4.628  1.8200 -1.6835  0.5605
+ 9007TIP3   OH228468   1.228   3.243   0.430 -0.2120 -0.3604 -0.0996
+ 9007TIP3    H128469   1.310   3.235   0.381  0.7154 -0.6265  1.4563
+ 9007TIP3    H228470   1.216   3.338   0.442 -1.4304 -0.1927 -2.4304
+ 9008TIP3   OH228471   5.033   3.944   4.556  0.0130  0.4727 -0.1339
+ 9008TIP3    H128472   4.950   3.990   4.550 -0.9253 -0.9813  1.2616
+ 9008TIP3    H228473   5.035   3.909   4.645  1.8336 -0.0505 -0.3506
+ 9009TIP3   OH228474   0.647   4.737   5.643 -0.3647  0.4512  0.5514
+ 9009TIP3    H128475   0.577   4.802   5.649 -0.3111  0.5190  0.4278
+ 9009TIP3    H228476   0.608   4.663   5.598 -0.5016  0.2962  0.9204
+ 9010TIP3   OH228477   1.898   4.995   6.362 -0.0874 -0.4395 -0.4036
+ 9010TIP3    H128478   1.849   4.958   6.289  0.3200  0.7366 -1.2770
+ 9010TIP3    H228479   1.843   5.067   6.394 -1.4243 -2.4586  2.0195
+ 9011TIP3   OH228480   3.529   1.239   6.750  0.3540  0.2565  0.2180
+ 9011TIP3    H128481   3.553   1.235   6.657  0.2692 -0.0213  0.2079
+ 9011TIP3    H228482   3.512   1.148   6.774 -0.4627  0.4260  0.2886
+ 9012TIP3   OH228483   2.644   3.721   5.320 -0.3169  0.2327 -0.5750
+ 9012TIP3    H128484   2.566   3.773   5.301 -0.7126 -0.3205 -0.4582
+ 9012TIP3    H228485   2.632   3.690   5.410 -0.6091 -0.9998 -1.0403
+ 9013TIP3   OH228486   4.515   4.118   0.606 -0.6564 -0.1350  0.2246
+ 9013TIP3    H128487   4.471   4.156   0.682  0.1064  2.4578 -0.5925
+ 9013TIP3    H228488   4.464   4.148   0.531 -0.5302 -1.4542 -0.4130
+ 9014TIP3   OH228489   1.939   5.924   0.379  0.6980  0.5131 -0.3292
+ 9014TIP3    H128490   1.970   5.946   0.467  1.6279  0.6443 -0.6910
+ 9014TIP3    H228491   1.852   5.886   0.394  1.4601 -0.8387  0.7839
+ 9015TIP3   OH228492   2.596   4.109   1.159 -0.4829  0.6374  0.0043
+ 9015TIP3    H128493   2.621   4.040   1.097 -1.3939 -1.0958  1.5196
+ 9015TIP3    H228494   2.504   4.126   1.139 -1.0404 -0.5721  1.4428
+ 9016TIP3   OH228495   1.406   5.490   4.403 -0.2981 -0.0586 -0.2365
+ 9016TIP3    H128496   1.338   5.502   4.337 -1.5681  0.7742  1.1767
+ 9016TIP3    H228497   1.364   5.518   4.485  1.6562  0.1899  0.7023
+ 9017TIP3   OH228498   0.909   5.073   6.581 -0.8058 -0.1238 -0.0114
+ 9017TIP3    H128499   0.937   5.043   6.667  0.4605 -0.3272 -0.4662
+ 9017TIP3    H228500   0.817   5.097   6.591 -0.8580 -0.8195  1.2134
+ 9018TIP3   OH228501   1.287   5.195   3.200  0.9643  0.0805  0.3937
+ 9018TIP3    H128502   1.226   5.217   3.270 -0.4292 -2.8061  0.1601
+ 9018TIP3    H228503   1.347   5.132   3.239  0.9970 -0.5251 -0.6203
+ 9019TIP3   OH228504   4.667   6.438   6.731 -0.1644 -0.1804  0.0210
+ 9019TIP3    H128505   4.761   6.421   6.726 -0.2174 -0.9068  1.1951
+ 9019TIP3    H228506   4.628   6.352   6.750 -1.0676  0.1085 -0.4856
+ 9020TIP3   OH228507   2.490   5.640   6.172 -0.8975 -0.3871  0.1714
+ 9020TIP3    H128508   2.495   5.611   6.264  3.0476 -1.0087 -0.1530
+ 9020TIP3    H228509   2.478   5.559   6.122  0.6769 -0.4752 -0.0871
+ 9021TIP3   OH228510   4.139   5.010   0.714 -0.0107  0.1167  0.0339
+ 9021TIP3    H128511   4.188   5.084   0.677  1.2496 -0.9941 -0.5748
+ 9021TIP3    H228512   4.105   5.043   0.797 -1.3968  2.1020 -1.2890
+ 9022TIP3   OH228513   0.468   4.756   6.757 -0.4283  0.1665  0.2992
+ 9022TIP3    H128514   0.394   4.772   6.815  0.6816  0.1421  1.7562
+ 9022TIP3    H228515   0.457   4.818   6.686 -0.9336  1.3191  1.3712
+ 9023TIP3   OH228516   2.506   6.199   6.382  0.8496  0.5944 -0.1148
+ 9023TIP3    H128517   2.553   6.277   6.352  0.3645  1.1976  0.6761
+ 9023TIP3    H228518   2.417   6.229   6.397  0.5233 -0.2492 -0.3361
+ 9024TIP3   OH228519   2.585   5.430   1.277 -0.2800  0.5622 -0.1475
+ 9024TIP3    H128520   2.553   5.449   1.189 -0.3377 -0.3034 -0.3193
+ 9024TIP3    H228521   2.528   5.360   1.308  0.9685 -0.4903 -0.1742
+ 9025TIP3   OH228522   2.775   3.673   5.710  0.3947  0.0327 -0.2526
+ 9025TIP3    H128523   2.738   3.727   5.780  0.9525 -1.4106  1.1890
+ 9025TIP3    H228524   2.699   3.634   5.667  0.0684  0.4968 -0.0996
+ 9026TIP3   OH228525   2.692   3.838   0.259  0.3637 -0.1851 -0.3887
+ 9026TIP3    H128526   2.733   3.857   0.344 -1.6846 -1.3907  0.9207
+ 9026TIP3    H228527   2.604   3.807   0.282  0.2205 -1.7247 -2.8920
+ 9027TIP3   OH228528   6.118   3.491   6.370  0.0795 -0.1721 -0.1244
+ 9027TIP3    H128529   6.084   3.578   6.349 -0.5287 -0.5961 -0.9189
+ 9027TIP3    H228530   6.074   3.432   6.309  1.5518 -0.8632 -0.5506
+ 9028TIP3   OH228531   2.569   4.628   1.483 -0.1568 -0.2089  0.1200
+ 9028TIP3    H128532   2.537   4.539   1.498  1.6512 -0.9972 -0.5758
+ 9028TIP3    H228533   2.496   4.673   1.440  0.2873 -2.5393 -3.2587
+ 9029TIP3   OH228534   2.583   2.326   4.706  0.7999  0.0990  0.5066
+ 9029TIP3    H128535   2.606   2.345   4.615 -0.4761  0.2347  0.2041
+ 9029TIP3    H228536   2.589   2.230   4.712  1.4415  0.1311  0.4408
+ 9030TIP3   OH228537   6.011   4.587   5.957  0.2545 -0.3166 -0.6076
+ 9030TIP3    H128538   6.034   4.675   5.927 -1.0158 -0.0845 -0.9393
+ 9030TIP3    H228539   6.065   4.574   6.034 -0.1597  1.1164 -0.0409
+ 9031TIP3   OH228540   3.413   4.965   5.785  0.0360 -0.1266 -0.6565
+ 9031TIP3    H128541   3.476   4.966   5.857  0.0465 -0.3887 -0.6619
+ 9031TIP3    H228542   3.449   4.902   5.722  0.2877  0.4805 -1.1278
+ 9032TIP3   OH228543   4.389   1.629   0.989  0.2823  0.1141 -0.4647
+ 9032TIP3    H128544   4.329   1.637   1.063  1.6382  2.1239  0.4720
+ 9032TIP3    H228545   4.370   1.706   0.934  1.3744  0.2956 -0.6108
+ 9033TIP3   OH228546   5.601   6.199   5.374 -0.0843  0.1411  0.3559
+ 9033TIP3    H128547   5.604   6.138   5.300 -0.6942  0.1423  0.3239
+ 9033TIP3    H228548   5.528   6.167   5.427  1.6033 -1.0555  2.0004
+ 9034TIP3   OH228549   3.516   3.997   5.652 -0.2165  0.3328 -0.3139
+ 9034TIP3    H128550   3.583   3.944   5.694 -0.9499  0.2051  0.7020
+ 9034TIP3    H228551   3.433   3.965   5.688 -0.6867  1.9746  0.1230
+ 9035TIP3   OH228552   1.998   5.002   5.497  0.1196  0.4349 -0.0214
+ 9035TIP3    H128553   1.986   4.995   5.402 -0.0057  0.9726 -0.0452
+ 9035TIP3    H228554   2.030   5.091   5.511  1.0778  0.0427  0.3501
+ 9036TIP3   OH228555   2.068   5.091   1.012  0.0284 -0.2015 -0.2511
+ 9036TIP3    H128556   2.116   5.015   0.980 -1.1940 -1.1375  0.0946
+ 9036TIP3    H228557   2.089   5.096   1.105  0.0595 -0.1619 -0.2605
+ 9037TIP3   OH228558   4.519   3.596   1.566  0.8839 -0.3152  0.2235
+ 9037TIP3    H128559   4.477   3.559   1.488  1.1498 -0.6833  0.2564
+ 9037TIP3    H228560   4.610   3.569   1.559  1.4227  1.5727 -0.5300
+ 9038TIP3   OH228561   1.835   4.996   4.954 -0.3062  0.3464 -0.5133
+ 9038TIP3    H128562   1.864   5.085   4.974 -2.3333  0.6901  1.1003
+ 9038TIP3    H228563   1.743   4.994   4.980 -0.9313 -1.5721 -2.6631
+ 9039TIP3   OH228564   3.869   4.860   0.107  0.1150 -0.3586 -0.2378
+ 9039TIP3    H128565   3.792   4.813   0.074 -0.2794  0.4788 -0.5320
+ 9039TIP3    H228566   3.840   4.951   0.117  0.0883 -0.6911  2.9621
+ 9040TIP3   OH228567   3.166   6.240   6.376 -0.2287 -0.1127 -0.0282
+ 9040TIP3    H128568   3.084   6.260   6.423  0.2386  2.9553 -0.4322
+ 9040TIP3    H228569   3.234   6.244   6.444 -0.1908 -0.9894 -0.0067
+ 9041TIP3   OH228570   3.040   5.965   6.367 -0.0305  0.4277  0.1620
+ 9041TIP3    H128571   3.060   6.025   6.295  0.2232  0.2685  0.0984
+ 9041TIP3    H228572   2.945   5.959   6.367 -0.1649  2.3142  1.3779
+ 9042TIP3   OH228573   0.733   6.082   5.586  0.0829  0.5405  0.3150
+ 9042TIP3    H128574   0.769   6.170   5.576 -2.0447  1.2191 -1.9178
+ 9042TIP3    H228575   0.666   6.090   5.654  0.4714  0.4709  0.7028
+ 9043TIP3   OH228576   3.045   6.786   6.060 -0.3021  0.3459  0.3428
+ 9043TIP3    H128577   3.060   6.692   6.070  0.3623  0.3312 -0.6379
+ 9043TIP3    H228578   2.996   6.793   5.978 -3.2158  0.6276  2.0781
+ 9044TIP3   OH228579   3.395   3.787   0.045 -0.4197  0.0940 -0.3056
+ 9044TIP3    H128580   3.394   3.838  -0.036 -0.9701 -1.2333 -1.1510
+ 9044TIP3    H228581   3.346   3.840   0.107  1.1927  1.7820 -0.4109
+ 9045TIP3   OH228582   3.751   4.961   1.436 -0.9564 -0.2847  0.0339
+ 9045TIP3    H128583   3.755   4.886   1.496  0.7652 -0.5430 -0.3812
+ 9045TIP3    H228584   3.769   5.036   1.492  0.5027 -0.5119 -0.0952
+ 9046TIP3   OH228585   2.971   6.724   5.803 -0.3375 -0.1303  0.2230
+ 9046TIP3    H128586   3.026   6.770   5.739  0.9486 -1.5051  0.3143
+ 9046TIP3    H228587   2.991   6.631   5.789 -1.7373 -0.5724  1.1041
+ 9047TIP3   OH228588   1.430   5.760   0.247 -0.4069 -0.1812  0.0329
+ 9047TIP3    H128589   1.502   5.796   0.195 -0.3676 -1.6747 -0.9687
+ 9047TIP3    H228590   1.378   5.710   0.185 -0.6749 -1.5268  1.3034
+ 9048TIP3   OH228591   3.182   4.962   3.984  0.1465 -0.3101  0.0362
+ 9048TIP3    H128592   3.176   4.883   3.930  0.9781 -0.9753  0.8906
+ 9048TIP3    H228593   3.123   4.945   4.058  3.2696 -1.8412  2.2767
+ 9049TIP3   OH228594   4.099   5.610   3.682 -0.1834  0.5097 -0.2583
+ 9049TIP3    H128595   4.068   5.698   3.704  2.1775  1.7102 -1.5812
+ 9049TIP3    H228596   4.039   5.551   3.728 -0.2250  2.8403  2.8338
+ 9050TIP3   OH228597   2.787   5.134   4.124  0.1894  0.1276  0.6157
+ 9050TIP3    H128598   2.697   5.151   4.098 -1.1418 -2.9779  2.9298
+ 9050TIP3    H228599   2.798   5.183   4.206  0.2656 -0.3473  0.8896
+ 9051TIP3   OH228600   4.519   3.088   0.415  0.2407  0.2964  0.1088
+ 9051TIP3    H128601   4.434   3.091   0.458  0.0531 -0.6871 -0.1802
+ 9051TIP3    H228602   4.561   3.009   0.450  0.0090 -0.6370 -1.6431
+ 9052TIP3   OH228603   3.809   3.079   5.184 -0.1943  0.3273 -0.0513
+ 9052TIP3    H128604   3.738   3.072   5.120  0.4680  2.2289 -1.0373
+ 9052TIP3    H228605   3.767   3.110   5.264 -0.5889  0.8945 -0.4714
+ 9053TIP3   OH228606   2.051   4.791   6.485  0.1474  0.5452  0.2736
+ 9053TIP3    H128607   1.993   4.855   6.444 -0.1893 -0.5363 -0.9983
+ 9053TIP3    H228608   2.063   4.822   6.574  0.1127  2.4595 -0.3695
+ 9054TIP3   OH228609   1.392   6.835   5.231  0.0967 -0.6195 -0.4354
+ 9054TIP3    H128610   1.474   6.853   5.276  0.1332 -3.0700  0.5818
+ 9054TIP3    H228611   1.365   6.919   5.194  2.1167  0.5880  0.7731
+ 9055TIP3   OH228612   4.355   3.803   0.708 -0.1286  0.4551  0.0995
+ 9055TIP3    H128613   4.332   3.726   0.655 -1.5410  1.1774 -0.3499
+ 9055TIP3    H228614   4.406   3.859   0.649  1.8940 -0.6288  0.7621
+ 9056TIP3   OH228615   4.081   6.394   1.452  0.1811 -0.3410 -0.1204
+ 9056TIP3    H128616   4.107   6.324   1.392  0.2815 -0.5253  0.1357
+ 9056TIP3    H228617   4.143   6.387   1.525  0.2088  0.0343 -0.1089
+ 9057TIP3   OH228618   2.819   3.245   0.883 -0.0563  0.0411 -0.1765
+ 9057TIP3    H128619   2.762   3.195   0.825  1.2051 -1.3752 -0.2412
+ 9057TIP3    H228620   2.816   3.198   0.966  1.6309 -0.5784 -0.4215
+ 9058TIP3   OH228621   2.547   5.220   4.012  0.8369 -0.5100  0.3195
+ 9058TIP3    H128622   2.477   5.280   3.988  0.1233 -1.3417  0.3171
+ 9058TIP3    H228623   2.508   5.133   4.005  1.4570 -0.9139  1.6920
+ 9059TIP3   OH228624   0.957   5.581   4.860  0.0087 -0.0395  0.4843
+ 9059TIP3    H128625   0.916   5.660   4.824  0.2409 -0.9726 -1.9747
+ 9059TIP3    H228626   1.002   5.610   4.939 -2.9529  1.5755  1.6817
+ 9060TIP3   OH228627   1.981   5.391   3.262 -0.8297  0.6219  0.2216
+ 9060TIP3    H128628   2.058   5.404   3.207 -0.9582  2.4692  0.4608
+ 9060TIP3    H228629   1.980   5.468   3.320 -0.3141 -1.5657  3.2815
+ 9061TIP3   OH228630   3.037   3.647   0.511  0.5857 -0.0775  1.2333
+ 9061TIP3    H128631   3.035   3.741   0.530 -0.7737  0.1804 -0.0885
+ 9061TIP3    H228632   2.945   3.619   0.516  1.0022 -1.3804  1.8474
+ 9062TIP3   OH228633   4.228   6.026   1.867  0.7067  0.3648  0.2848
+ 9062TIP3    H128634   4.138   6.055   1.879  0.6978  0.3614  0.2208
+ 9062TIP3    H228635   4.246   5.974   1.945  0.8119  0.7659  0.5305
+ 9063TIP3   OH228636   2.725   5.831   6.157 -0.3803  0.0939 -0.3409
+ 9063TIP3    H128637   2.674   5.782   6.093 -0.3888  0.0864 -0.3281
+ 9063TIP3    H228638   2.736   5.918   6.118 -0.7420  0.2185 -0.1710
+ 9064TIP3   OH228639   2.510   5.336   1.759  0.1786 -0.3443 -0.5009
+ 9064TIP3    H128640   2.528   5.404   1.693 -0.0863  1.1850  0.9618
+ 9064TIP3    H228641   2.415   5.336   1.767  0.2813  0.3761  0.7947
+ 9065TIP3   OH228642   3.252   4.421   6.763 -0.3098 -0.4368  0.1899
+ 9065TIP3    H128643   3.346   4.440   6.769 -0.2390 -0.9604  0.7936
+ 9065TIP3    H228644   3.246   4.326   6.767 -0.9032 -0.3853  0.6551
+ 9066TIP3   OH228645   2.657   6.404   0.275  0.0980 -0.3325  0.1706
+ 9066TIP3    H128646   2.622   6.380   0.189 -0.1012  0.2962  0.0732
+ 9066TIP3    H228647   2.693   6.492   0.263  1.5059 -0.8713  0.3339
+ 9067TIP3   OH228648   3.214   5.175   1.543 -0.1291  0.2890  0.0465
+ 9067TIP3    H128649   3.218   5.150   1.635 -1.8331  2.1025  0.6615
+ 9067TIP3    H228650   3.305   5.180   1.515  0.3741 -1.5381  1.2579
+ 9068TIP3   OH228651   2.438   4.275   5.812  0.4451 -0.4515  0.2950
+ 9068TIP3    H128652   2.528   4.245   5.797 -0.1803 -2.1366 -0.2028
+ 9068TIP3    H228653   2.431   4.280   5.907  1.3282  0.5407  0.3215
+ 9069TIP3   OH228654   4.285   4.539   5.320 -0.1970 -0.1398 -0.5677
+ 9069TIP3    H128655   4.253   4.493   5.398 -0.9598  0.8048 -0.3093
+ 9069TIP3    H228656   4.315   4.470   5.262  0.3832 -0.8623  0.5741
+ 9070TIP3   OH228657   3.547   6.896   1.006 -0.7723  0.6890  0.0944
+ 9070TIP3    H128658   3.538   6.803   0.989 -1.3697  0.7852 -0.1223
+ 9070TIP3    H228659   3.524   6.907   1.098 -1.4375  0.7274 -0.0762
+ 9071TIP3   OH228660   3.144   3.265   6.249 -0.1387  0.0250  0.0262
+ 9071TIP3    H128661   3.122   3.356   6.267  0.4981 -0.0589  1.2892
+ 9071TIP3    H228662   3.109   3.217   6.324  1.3018 -0.5253  0.3621
+ 9072TIP3   OH228663   1.898   4.314   5.109 -0.4193 -0.4774 -0.5804
+ 9072TIP3    H128664   1.841   4.284   5.180 -1.4870 -0.1127 -1.2768
+ 9072TIP3    H228665   1.929   4.234   5.068 -0.0751 -0.6836  0.0678
+ 9073TIP3   OH228666   3.842   5.427   5.218  0.5076  0.2960 -0.3191
+ 9073TIP3    H128667   3.812   5.456   5.304  1.3246  0.2412 -0.0099
+ 9073TIP3    H228668   3.874   5.506   5.175  0.4106  0.2664 -0.4466
+ 9074TIP3   OH228669   2.131   6.358   0.886  0.1956 -0.7621  0.1790
+ 9074TIP3    H128670   2.170   6.410   0.956 -1.0515  0.8828 -0.3074
+ 9074TIP3    H228671   2.203   6.307   0.850  1.7251  1.5525 -0.1284
+ 9075TIP3   OH228672   1.741   6.485   4.297 -0.6543  0.0416  0.1626
+ 9075TIP3    H128673   1.701   6.482   4.210 -0.0053 -1.5970 -0.1012
+ 9075TIP3    H228674   1.672   6.458   4.357 -0.0337 -2.7041 -0.2832
+ 9076TIP3   OH228675   3.625   5.362   0.448 -0.1524 -0.0935  0.3999
+ 9076TIP3    H128676   3.711   5.389   0.415 -0.0100 -0.9220  0.1006
+ 9076TIP3    H228677   3.639   5.276   0.485 -1.3201 -1.2456 -1.7134
+ 9077TIP3   OH228678   2.964   3.414   1.167  0.1054  0.0795  0.1189
+ 9077TIP3    H128679   2.875   3.424   1.133  0.4262 -0.5832 -0.9206
+ 9077TIP3    H228680   3.011   3.491   1.135  0.2200 -0.1851 -0.3571
+ 9078TIP3   OH228681   4.269   5.319   0.635  0.1725 -0.3363  0.4767
+ 9078TIP3    H128682   4.254   5.281   0.721 -0.8054  0.6823  0.7649
+ 9078TIP3    H228683   4.258   5.413   0.648 -1.2192 -0.2672 -0.9890
+ 9079TIP3   OH228684   5.035   4.608   5.543  0.0806 -0.3783  0.0402
+ 9079TIP3    H128685   5.121   4.592   5.580  0.6021  0.0762 -0.9398
+ 9079TIP3    H228686   4.975   4.557   5.597  1.2053 -2.4002 -0.5760
+ 9080TIP3   OH228687   1.132   6.762   5.410  0.1503 -0.4246 -0.2395
+ 9080TIP3    H128688   1.164   6.673   5.424 -2.0804 -1.5112 -1.7997
+ 9080TIP3    H228689   1.199   6.803   5.355 -0.1262 -2.0708 -1.8776
+ 9081TIP3   OH228690   1.385   5.906   3.540  0.0792  0.2172 -0.1122
+ 9081TIP3    H128691   1.344   5.950   3.615 -0.6965 -0.2791 -0.2367
+ 9081TIP3    H228692   1.400   5.977   3.477 -0.8199  0.3707 -0.1604
+ 9082TIP3   OH228693   2.317   4.299   1.213 -0.2881 -0.3500  0.2315
+ 9082TIP3    H128694   2.365   4.381   1.223 -0.2177 -0.1819 -1.4709
+ 9082TIP3    H228695   2.235   4.313   1.261 -0.6766  1.0321 -0.8132
+ 9083TIP3   OH228696   2.049   2.176   0.862 -0.7003 -0.1052  0.1029
+ 9083TIP3    H128697   2.072   2.152   0.772  1.7427  0.9594  0.4275
+ 9083TIP3    H228698   1.981   2.243   0.852 -0.7697 -0.3155 -0.9250
+ 9084TIP3   OH228699   2.106   3.792   0.215  0.0357  0.8240  0.0785
+ 9084TIP3    H128700   2.163   3.773   0.290  0.6774  1.3342 -0.2783
+ 9084TIP3    H228701   2.147   3.747   0.142 -1.7064 -1.4078  0.4215
+ 9085TIP3   OH228702   1.313   2.769   5.863 -0.0637 -0.1832 -0.5377
+ 9085TIP3    H128703   1.402   2.795   5.841 -0.0786 -0.8698 -1.4597
+ 9085TIP3    H228704   1.302   2.684   5.821 -0.7297 -0.6797  0.6409
+ 9086TIP3   OH228705   2.516   1.070   1.742 -0.0174 -0.0880  0.3628
+ 9086TIP3    H128706   2.547   1.037   1.826 -0.0750  1.0249  0.8321
+ 9086TIP3    H228707   2.581   1.136   1.717 -0.5435  0.3094  0.0328
+ 9087TIP3   OH228708   3.725   5.326   5.813 -0.0278  0.9633  0.2981
+ 9087TIP3    H128709   3.751   5.254   5.870 -2.1340 -0.6133 -0.6205
+ 9087TIP3    H228710   3.637   5.349   5.842 -1.2134 -0.0001 -2.3756
+ 9088TIP3   OH228711   3.836   2.280   0.388  0.7979  0.4623  0.1040
+ 9088TIP3    H128712   3.765   2.231   0.430  1.9283 -0.4496  0.9469
+ 9088TIP3    H228713   3.797   2.366   0.370 -0.1897  0.3445  1.5876
+ 9089TIP3   OH228714   2.062   4.909   0.676 -0.7873 -0.2673 -0.3159
+ 9089TIP3    H128715   2.056   4.984   0.616 -0.7459 -0.5558 -0.6780
+ 9089TIP3    H228716   1.973   4.899   0.711 -0.5262  0.7400  0.6956
+ 9090TIP3   OH228717   2.309   5.367   4.893  0.2359  0.2043 -0.5273
+ 9090TIP3    H128718   2.254   5.443   4.914 -1.3246 -1.1264  0.3593
+ 9090TIP3    H228719   2.391   5.383   4.941 -0.1046  1.2833 -0.2842
+ 9091TIP3   OH228720   1.723   3.520   0.044  0.6488  0.3546 -0.1165
+ 9091TIP3    H128721   1.719   3.615   0.035  2.1046  0.3373 -1.1276
+ 9091TIP3    H228722   1.784   3.505   0.116  1.4189  0.1798 -0.7890
+ 9092TIP3   OH228723   3.663   5.141   5.462  0.8822 -0.5238  0.2727
+ 9092TIP3    H128724   3.720   5.100   5.527  2.8418  1.2768 -0.2396
+ 9092TIP3    H228725   3.671   5.235   5.479  0.4712 -0.0860 -1.7683
+ 9093TIP3   OH228726   4.447   4.086   4.912  0.5272 -0.1918  0.3045
+ 9093TIP3    H128727   4.352   4.104   4.912  0.3830 -0.9475  0.8707
+ 9093TIP3    H228728   4.476   4.115   4.998  0.5524 -1.3158  0.6744
+ 9094TIP3   OH228729   1.791   2.365   0.447  0.2737 -0.6222  0.0249
+ 9094TIP3    H128730   1.741   2.287   0.471  0.0300 -0.5014 -0.0833
+ 9094TIP3    H228731   1.727   2.422   0.404  0.1974  0.0892  1.0480
+ 9095TIP3   OH228732   3.465   1.618   5.111  0.2144 -0.6400 -0.2701
+ 9095TIP3    H128733   3.499   1.533   5.081 -0.2390 -0.5199 -1.1373
+ 9095TIP3    H228734   3.415   1.651   5.037  0.3121  0.3534  0.1018
+ 9096TIP3   OH228735   3.456   5.537   5.179 -0.0660 -0.2169 -0.3776
+ 9096TIP3    H128736   3.475   5.626   5.152 -1.2458 -0.2735 -1.4553
+ 9096TIP3    H228737   3.472   5.484   5.101  0.9480 -0.9975  0.3446
+ 9097TIP3   OH228738   1.859   5.923   4.163 -0.0582 -0.1769  0.0123
+ 9097TIP3    H128739   1.913   5.949   4.089  1.2919 -2.3405  0.1628
+ 9097TIP3    H228740   1.796   5.861   4.126  0.8736 -1.5662  0.7044
+ 9098TIP3   OH228741   1.826   5.219   3.830  0.3646 -0.2990  0.2492
+ 9098TIP3    H128742   1.785   5.134   3.815  1.5153 -0.9813  0.8907
+ 9098TIP3    H228743   1.865   5.213   3.917 -0.4474  1.2709  0.7596
+ 9099TIP3   OH228744   3.196   4.280   5.066 -0.4203 -0.0992 -0.9409
+ 9099TIP3    H128745   3.162   4.357   5.112  0.6662 -1.0677  1.5873
+ 9099TIP3    H228746   3.121   4.246   5.018 -1.6847  0.7816  0.3642
+ 9100TIP3   OH228747   4.756   2.438   5.295 -1.2735 -0.0351 -0.0346
+ 9100TIP3    H128748   4.810   2.515   5.274 -0.4754 -0.5514  0.0710
+ 9100TIP3    H228749   4.707   2.420   5.215 -1.1447  0.3382 -0.1975
+ 9101TIP3   OH228750   5.669   3.620   5.920  0.3245 -0.0417  0.1011
+ 9101TIP3    H128751   5.652   3.536   5.879 -1.3045  0.2588  0.1262
+ 9101TIP3    H228752   5.747   3.653   5.875  0.1280 -0.9149 -0.8960
+ 9102TIP3   OH228753   0.827   5.533   4.405  0.5076  0.3716 -0.1231
+ 9102TIP3    H128754   0.864   5.621   4.401  2.4896 -0.5015 -1.5949
+ 9102TIP3    H228755   0.886   5.485   4.463 -0.6341  0.0063  0.7728
+ 9103TIP3   OH228756   5.397   4.933   0.724  0.3959 -0.0650  0.7133
+ 9103TIP3    H128757   5.434   4.878   0.656  0.3404 -0.4544  0.9936
+ 9103TIP3    H228758   5.466   4.941   0.790  1.6766  3.0815 -0.9212
+ 9104TIP3   OH228759   0.986   5.265   5.559 -0.0444 -0.4471  0.3878
+ 9104TIP3    H128760   1.076   5.254   5.531  0.3049 -0.1781  1.3857
+ 9104TIP3    H228761   0.945   5.318   5.491  0.3321 -1.2387 -0.4675
+ 9105TIP3   OH228762   5.337   5.107   6.248  0.0260 -0.0943 -0.5226
+ 9105TIP3    H128763   5.284   5.032   6.277 -0.6055  0.6454  0.2611
+ 9105TIP3    H228764   5.273   5.172   6.220  0.6141 -0.4211 -2.6667
+ 9106TIP3   OH228765   4.655   4.926   4.536  0.1014 -0.5057 -0.5613
+ 9106TIP3    H128766   4.561   4.940   4.550  0.2418  0.3666 -0.4713
+ 9106TIP3    H228767   4.695   4.953   4.618  0.5830  0.8742 -1.2218
+ 9107TIP3   OH228768   3.893   4.153   6.090  0.2599  0.2236  0.0656
+ 9107TIP3    H128769   3.819   4.201   6.054 -0.3760 -0.8512 -0.0786
+ 9107TIP3    H228770   3.962   4.219   6.100 -0.1350  0.8881 -1.4365
+ 9108TIP3   OH228771   2.872   4.182   4.502  0.1371 -0.3183  0.2564
+ 9108TIP3    H128772   2.952   4.233   4.497  1.3572 -2.1844  0.1957
+ 9108TIP3    H228773   2.810   4.238   4.549  0.5501  2.2870 -2.1953
+ 9109TIP3   OH228774   5.323   3.659   4.160 -0.1574  0.1278 -0.0798
+ 9109TIP3    H128775   5.264   3.712   4.215  0.3109  1.5669 -0.9216
+ 9109TIP3    H228776   5.372   3.724   4.110  2.0710 -1.0464  0.5287
+ 9110TIP3   OH228777   1.571   3.714   0.310 -0.6923 -0.3493  0.2224
+ 9110TIP3    H128778   1.644   3.775   0.302 -0.6845 -0.3342  0.4056
+ 9110TIP3    H228779   1.496   3.761   0.275 -0.6660 -0.2686  0.2730
+ 9111TIP3   OH228780   1.548   5.190   6.367 -0.5489  0.0957  0.2663
+ 9111TIP3    H128781   1.496   5.191   6.287  0.2604  0.0386 -0.2694
+ 9111TIP3    H228782   1.632   5.227   6.341 -0.0882 -0.4466  0.9601
+ 9112TIP3   OH228783   3.052   6.745   1.822 -0.4751 -0.4526 -0.7689
+ 9112TIP3    H128784   3.013   6.678   1.879  1.2627 -1.1085 -0.3145
+ 9112TIP3    H228785   3.094   6.806   1.882 -0.8242  0.2555 -1.2497
+ 9113TIP3   OH228786   3.196   4.517   0.436  0.2531  0.2025  0.1606
+ 9113TIP3    H128787   3.292   4.513   0.438  0.2382 -0.8492 -0.9818
+ 9113TIP3    H228788   3.173   4.502   0.345 -1.0214  0.1829  0.4741
+ 9114TIP3   OH228789   4.515   4.158   2.406 -0.3623  0.1066  0.5551
+ 9114TIP3    H128790   4.536   4.198   2.322  0.3451 -0.9803  0.2069
+ 9114TIP3    H228791   4.477   4.229   2.458  0.9015  1.2312 -0.0337
+ 9115TIP3   OH228792   5.384   3.398   1.213 -0.5316 -0.0142 -0.0034
+ 9115TIP3    H128793   5.369   3.429   1.302 -0.2139  0.8056 -0.2328
+ 9115TIP3    H228794   5.444   3.324   1.223 -0.9744 -0.3140  0.5067
+ 9116TIP3   OH228795   2.409   4.939   0.229 -0.3042  0.6295  0.2789
+ 9116TIP3    H128796   2.322   4.944   0.189 -0.8352 -0.5061  1.2976
+ 9116TIP3    H228797   2.427   4.846   0.238  1.1492  0.8474 -0.1845
+ 9117TIP3   OH228798   3.833   4.423   6.394  0.7163 -0.0436 -0.1433
+ 9117TIP3    H128799   3.775   4.347   6.406  0.7252 -0.3922 -2.0381
+ 9117TIP3    H228800   3.921   4.389   6.408  0.7683 -0.5527 -1.6520
+ 9118TIP3   OH228801   3.869   5.345   1.956 -0.1821 -0.6294  0.1896
+ 9118TIP3    H128802   3.874   5.432   1.916 -1.0083 -0.9855 -0.6822
+ 9118TIP3    H228803   3.776   5.325   1.959  0.0167 -1.5491  0.2675
+ 9119TIP3   OH228804   1.733   2.180   2.217 -0.3501  0.5089  0.2693
+ 9119TIP3    H128805   1.822   2.159   2.187 -0.1866  0.6461  0.6623
+ 9119TIP3    H228806   1.677   2.154   2.144 -0.0684 -0.4085  0.3696
+ 9120TIP3   OH228807   0.799   4.411   5.159 -0.1776 -1.1059  1.0595
+ 9120TIP3    H128808   0.889   4.442   5.150 -0.3439 -0.9240  0.0617
+ 9120TIP3    H228809   0.759   4.471   5.223  0.4891 -1.3695  1.7247
+ 9121TIP3   OH228810   4.630   6.826   4.805  0.2432  0.0306  0.2142
+ 9121TIP3    H128811   4.721   6.854   4.812  0.2965  0.0348 -0.4545
+ 9121TIP3    H228812   4.602   6.860   4.720 -0.1088 -0.7720  0.0119
+ 9122TIP3   OH228813   4.614   6.070   0.451 -0.4310  0.1370  0.0467
+ 9122TIP3    H128814   4.604   6.040   0.541 -0.6688 -0.4921 -0.1904
+ 9122TIP3    H228815   4.683   6.136   0.456 -1.1687  0.8509  0.8521
+ 9123TIP3   OH228816   2.146   6.754   0.266 -0.7394  0.0469 -0.6705
+ 9123TIP3    H128817   2.207   6.801   0.209 -0.5737 -0.9142 -1.2792
+ 9123TIP3    H228818   2.064   6.753   0.217 -0.8463  0.0225 -0.4905
+ 9124TIP3   OH228819   3.450   2.933   6.502 -0.3100  0.1426 -0.4784
+ 9124TIP3    H128820   3.472   3.021   6.469  0.8887  0.6434  1.5986
+ 9124TIP3    H228821   3.355   2.937   6.516  0.0851  1.9450  1.9507
+ 9125TIP3   OH228822   3.261   5.756   4.525  0.5328 -0.1387 -0.2286
+ 9125TIP3    H128823   3.319   5.683   4.547 -1.6145 -2.0747 -0.8433
+ 9125TIP3    H228824   3.206   5.766   4.603  2.2865  2.3635  0.7549
+ 9126TIP3   OH228825   4.023   4.045   1.408 -0.6560 -0.1723 -0.4546
+ 9126TIP3    H128826   4.008   4.136   1.382  0.0386  0.3574  0.8784
+ 9126TIP3    H228827   3.942   4.018   1.450 -0.1051  0.6255  1.2034
+ 9127TIP3   OH228828   1.413   4.344   5.561 -0.4130  0.3442  0.2275
+ 9127TIP3    H128829   1.353   4.345   5.487  2.3236 -0.9858 -2.1394
+ 9127TIP3    H228830   1.398   4.260   5.603 -0.1641 -0.0407 -0.4357
+ 9128TIP3   OH228831   3.135   4.783   5.934  0.0614 -0.5399  0.4704
+ 9128TIP3    H128832   3.205   4.836   5.896 -0.4655 -0.9911 -1.1341
+ 9128TIP3    H228833   3.059   4.799   5.877 -0.9225 -0.7205  1.6945
+ 9129TIP3   OH228834   2.817   3.761   0.963  0.2793 -0.1636  0.5467
+ 9129TIP3    H128835   2.817   3.846   1.007  0.7213  0.8668 -1.3539
+ 9129TIP3    H228836   2.901   3.721   0.986  0.9825  0.8441 -0.2542
+ 9130TIP3   OH228837   1.794   4.871   0.747  0.0891  0.6588 -0.8977
+ 9130TIP3    H128838   1.762   4.817   0.675 -0.0581  0.6560 -0.8306
+ 9130TIP3    H228839   1.720   4.926   0.771 -0.5859 -0.9487  0.7751
+ 9131TIP3   OH228840   2.596   3.344   5.114  0.4295  0.1287  0.6664
+ 9131TIP3    H128841   2.539   3.282   5.069 -0.6093  2.3860 -1.2293
+ 9131TIP3    H228842   2.653   3.290   5.168 -0.7284 -2.4378 -0.6219
+ 9132TIP3   OH228843   3.053   2.295   0.505  0.5065  0.1516 -0.5285
+ 9132TIP3    H128844   2.990   2.232   0.471 -0.2132 -0.1276  1.2732
+ 9132TIP3    H228845   3.028   2.308   0.597  3.1747 -0.1610  0.3134
+ 9133TIP3   OH228846   3.584   4.247   0.034 -0.4684 -0.0542 -0.2559
+ 9133TIP3    H128847   3.560   4.323  -0.019 -1.0577 -2.3634 -3.4362
+ 9133TIP3    H228848   3.501   4.215   0.069 -0.4548 -0.3303 -0.4733
+ 9134TIP3   OH228849   6.233   3.028   5.623  0.1289  0.5538  0.2691
+ 9134TIP3    H128850   6.247   2.964   5.692 -0.8908  1.4320  1.3201
+ 9134TIP3    H228851   6.254   2.982   5.542  4.1258  0.3219  1.3137
+ 9135TIP3   OH228852   3.223   5.229   5.420 -0.0687 -0.5376 -0.4422
+ 9135TIP3    H128853   3.211   5.194   5.508 -0.4789  1.4778  0.3462
+ 9135TIP3    H228854   3.139   5.270   5.399  0.9147  1.4382 -0.6094
+ 9136TIP3   OH228855   2.611   6.143   6.647 -0.1322  0.4325  0.3218
+ 9136TIP3    H128856   2.523   6.108   6.660 -0.5133  0.8898 -0.9276
+ 9136TIP3    H228857   2.609   6.181   6.559  0.5979  2.5932  1.1992
+ 9137TIP3   OH228858   3.486   6.364   6.860 -0.4673 -0.1229 -0.4806
+ 9137TIP3    H128859   3.570   6.389   6.822 -0.5116 -0.6056 -0.9083
+ 9137TIP3    H228860   3.438   6.446   6.870  0.5137  0.2860  0.8883
+ 9138TIP3   OH228861   4.783   5.925   6.640 -0.3738  0.5069 -0.2008
+ 9138TIP3    H128862   4.704   5.948   6.591 -1.9519 -2.3290  0.8844
+ 9138TIP3    H228863   4.817   5.848   6.595  1.1902  1.0464  0.0267
+ 9139TIP3   OH228864   2.184   5.635   6.198 -0.4390 -0.0818  0.1320
+ 9139TIP3    H128865   2.259   5.577   6.198 -1.4066 -1.3619  0.7902
+ 9139TIP3    H228866   2.212   5.711   6.249  0.5438 -0.3553 -0.0008
+ 9140TIP3   OH228867   4.403   3.321   5.303  0.5603 -0.4416  1.0320
+ 9140TIP3    H128868   4.407   3.376   5.382  0.0534  4.4058 -2.1035
+ 9140TIP3    H228869   4.494   3.311   5.276  0.5890 -0.3906  1.1091
+ 9141TIP3   OH228870   5.994   3.366   6.182 -0.2906 -0.0104 -0.0744
+ 9141TIP3    H128871   5.982   3.371   6.087 -1.8761 -0.0857  0.1051
+ 9141TIP3    H228872   5.970   3.276   6.205 -0.0962  0.0582  0.4134
+ 9142TIP3   OH228873   5.232   5.127   1.751  0.1817 -0.1812  0.2570
+ 9142TIP3    H128874   5.265   5.122   1.662 -0.9302  0.4337 -0.2030
+ 9142TIP3    H228875   5.153   5.072   1.750  0.0346  0.0182  0.7972
+ 9143TIP3   OH228876   3.687   4.246   5.917  0.4593  0.1609  0.4459
+ 9143TIP3    H128877   3.625   4.197   5.862  0.5542 -1.5017  1.7925
+ 9143TIP3    H228878   3.773   4.226   5.878  0.2656  1.6503 -0.7976
+ 9144TIP3   OH228879   4.228   5.855   1.648  0.0413 -0.5964  0.3084
+ 9144TIP3    H128880   4.226   5.882   1.739  0.1574 -0.4867  0.2788
+ 9144TIP3    H228881   4.155   5.900   1.606  0.6357  0.1944  0.1144
+ 9145TIP3   OH228882   3.655   3.980   6.236 -0.7467  0.2532  0.4841
+ 9145TIP3    H128883   3.632   3.907   6.178 -2.4500  2.8614 -2.2702
+ 9145TIP3    H228884   3.607   3.962   6.317 -0.5307 -2.0375  0.1389
+ 9146TIP3   OH228885   4.556   5.750   0.019  0.0779 -0.4989  0.4651
+ 9146TIP3    H128886   4.497   5.796  -0.041 -1.3764 -2.6270  0.1687
+ 9146TIP3    H228887   4.578   5.815   0.086 -0.1745  1.2160 -1.0705
+ 9147TIP3   OH228888   2.855   5.378   5.695  0.3270  0.9506 -0.3249
+ 9147TIP3    H128889   2.854   5.293   5.652  1.4163  1.6023 -1.6576
+ 9147TIP3    H228890   2.762   5.403   5.701  0.1284  0.6299 -1.8640
+ 9148TIP3   OH228891   3.277   3.904   5.026 -0.1544 -0.1546  0.2739
+ 9148TIP3    H128892   3.280   3.957   5.105 -1.4616  1.6651 -0.8508
+ 9148TIP3    H228893   3.212   3.836   5.044 -0.6533  0.4256  0.6597
+ 9149TIP3   OH228894   5.939   3.830   6.750  0.0698  0.3287  0.1557
+ 9149TIP3    H128895   5.956   3.754   6.695 -0.1787 -0.1348  0.7128
+ 9149TIP3    H228896   6.026   3.865   6.770  0.1820  0.2124 -0.1310
+ 9150TIP3   OH228897   5.139   4.052   0.157  0.0492 -0.0897 -0.0831
+ 9150TIP3    H128898   5.212   4.057   0.096 -0.7120 -1.8422 -1.1839
+ 9150TIP3    H228899   5.067   4.098   0.114  0.4388  1.5360  0.9494
+ 9151TIP3   OH228900   0.321   2.884   6.254 -0.3824  0.3021 -0.0319
+ 9151TIP3    H128901   0.399   2.885   6.309 -0.7559  0.6862  0.5053
+ 9151TIP3    H228902   0.311   2.792   6.228 -0.1374  0.1361  0.4552
+ 9152TIP3   OH228903   3.593   5.754   5.495 -0.5228 -0.2986 -0.4483
+ 9152TIP3    H128904   3.588   5.717   5.583  0.7998 -2.1549 -1.1271
+ 9152TIP3    H228905   3.503   5.750   5.462 -0.8950 -0.2762  0.5442
+ 9153TIP3   OH228906   5.527   5.793   1.682 -0.4437  0.5255  0.0643
+ 9153TIP3    H128907   5.470   5.852   1.633  0.3689  1.9283  0.7513
+ 9153TIP3    H228908   5.549   5.841   1.762 -1.4764 -1.5921  1.6723
+ 9154TIP3   OH228909   2.973   5.363   4.838  0.1475 -0.3800  0.1695
+ 9154TIP3    H128910   2.953   5.454   4.862 -0.9489 -0.5651 -0.0315
+ 9154TIP3    H228911   3.066   5.364   4.815 -0.2867  1.0806 -1.6361
+ 9155TIP3   OH228912   4.836   3.063   1.981 -0.6002  0.2579  0.1304
+ 9155TIP3    H128913   4.926   3.093   1.977 -0.1118 -1.2947 -1.1981
+ 9155TIP3    H228914   4.804   3.070   1.890 -2.3905  2.4727  0.8883
+ 9156TIP3   OH228915   5.250   4.917   4.031  0.2555 -0.5052  0.1990
+ 9156TIP3    H128916   5.163   4.955   4.041  0.7225  1.0543 -1.4338
+ 9156TIP3    H228917   5.311   4.990   4.043  1.3215 -1.3851  0.3331
+ 9157TIP3   OH228918   3.582   5.719   4.446 -0.4335 -0.5370 -0.2169
+ 9157TIP3    H128919   3.550   5.678   4.366 -1.1145 -2.1671  0.8486
+ 9157TIP3    H228920   3.593   5.811   4.424 -1.0608 -0.8823 -2.0351
+ 9158TIP3   OH228921   5.006   5.102   6.059  0.2965  0.3675 -0.8053
+ 9158TIP3    H128922   5.068   5.034   6.033 -0.5614 -0.3691 -0.9586
+ 9158TIP3    H228923   4.953   5.060   6.127  1.5623  1.7823  1.1103
+ 9159TIP3   OH228924   4.456   1.951   6.761  0.4102  0.0872 -0.3640
+ 9159TIP3    H128925   4.419   1.872   6.799 -0.8991  0.9366  0.1630
+ 9159TIP3    H228926   4.382   2.011   6.753  1.2128  0.9486 -1.5805
+ 9160TIP3   OH228927   2.904   4.939   0.169 -0.6640  0.2809 -0.2007
+ 9160TIP3    H128928   2.982   4.895   0.202 -0.7769 -0.8678 -1.4372
+ 9160TIP3    H228929   2.924   4.957   0.077 -2.4155 -1.3669 -0.9428
+ 9161TIP3   OH228930   4.160   1.450   6.539 -0.4895  0.2252  0.4926
+ 9161TIP3    H128931   4.213   1.436   6.618  1.1989  0.4660 -0.5642
+ 9161TIP3    H228932   4.134   1.542   6.544  1.3211  0.7906 -0.2341
+ 9162TIP3   OH228933   3.603   6.372   5.301 -0.0956  0.2477  0.1509
+ 9162TIP3    H128934   3.590   6.367   5.395  3.2370 -0.0785  0.6671
+ 9162TIP3    H228935   3.578   6.286   5.268  0.7830 -0.3458  1.0375
+ 9163TIP3   OH228936   3.980   5.428   0.895  0.1334 -0.2344  0.4386
+ 9163TIP3    H128937   4.035   5.506   0.887  0.7516  0.0828  6.0036
+ 9163TIP3    H228938   3.891   5.462   0.895  0.2022 -0.0111 -1.3864
+ 9164TIP3   OH228939   5.100   3.726   0.997  0.6429 -0.8206 -0.4734
+ 9164TIP3    H128940   5.177   3.735   0.941  0.1190 -2.0293 -1.4080
+ 9164TIP3    H228941   5.026   3.733   0.937  0.0111  0.4288  0.4331
+ 9165TIP3   OH228942   3.950   5.240   0.329  0.3683  0.4425 -0.5591
+ 9165TIP3    H128943   3.933   5.278   0.416 -1.2750  0.8365 -1.0291
+ 9165TIP3    H228944   4.026   5.288   0.296  0.2697  1.1163  0.1692
+ 9166TIP3   OH228945   4.362   0.685   4.382 -0.6217 -0.4711  0.1561
+ 9166TIP3    H128946   4.336   0.610   4.329 -0.4417  0.2216 -0.9199
+ 9166TIP3    H228947   4.280   0.721   4.416 -0.8978  0.2693 -1.2694
+ 9167TIP3   OH228948   4.935   5.692   6.865  0.0574  0.1710  0.4475
+ 9167TIP3    H128949   5.010   5.676   6.807 -0.2582  0.2886 -0.0006
+ 9167TIP3    H228950   4.941   5.786   6.885  0.8046 -0.0997  1.5124
+ 9168TIP3   OH228951   3.772   6.426   6.789  0.1562  0.0404  0.4683
+ 9168TIP3    H128952   3.784   6.387   6.876 -0.9253  0.4971  0.8336
+ 9168TIP3    H228953   3.815   6.512   6.795 -1.2090  0.6978  1.0333
+ 9169TIP3   OH228954   5.441   4.777   0.462 -0.2627  0.5939  0.1347
+ 9169TIP3    H128955   5.493   4.834   0.405  0.5222  0.3475  0.6062
+ 9169TIP3    H228956   5.443   4.691   0.418 -1.1778  0.8412 -0.4080
+ 9170TIP3   OH228957   2.701   5.562   5.943  0.0414  0.4211  0.1505
+ 9170TIP3    H128958   2.660   5.484   5.904  1.5673 -0.4939  0.3310
+ 9170TIP3    H228959   2.644   5.634   5.917 -3.7505 -1.2004  3.3811
+ 9171TIP3   OH228960   5.661   3.095   0.473 -0.4918 -0.6423 -0.2938
+ 9171TIP3    H128961   5.609   3.113   0.552  0.1704  1.5739 -0.3219
+ 9171TIP3    H228962   5.714   3.174   0.461 -0.1229 -1.2123 -2.6120
+ 9172TIP3   OH228963   3.096   4.748   0.232 -0.2030 -0.3550  0.3965
+ 9172TIP3    H128964   3.184   4.715   0.212 -0.8030 -0.8007 -1.7042
+ 9172TIP3    H228965   3.039   4.700   0.172 -2.0691 -1.0450  2.6396
+ 9173TIP3   OH228966   6.621   5.135   0.998  0.0837  0.1091 -0.0575
+ 9173TIP3    H128967   6.604   5.184   1.078  0.3053  0.9302 -0.4942
+ 9173TIP3    H228968   6.675   5.061   1.025  1.8567  1.4763  0.2897
+ 9174TIP3   OH228969   2.981   6.123   4.251  0.4132 -0.7004  0.9413
+ 9174TIP3    H128970   3.019   6.117   4.338 -0.0777 -1.7203  1.1016
+ 9174TIP3    H228971   2.949   6.034   4.233 -1.2055 -0.0448  0.5060
+ 9175TIP3   OH228972   4.571   4.314   4.776 -0.8076  0.2882  0.2634
+ 9175TIP3    H128973   4.666   4.322   4.784 -0.7555  0.2556 -0.2588
+ 9175TIP3    H228974   4.552   4.225   4.807 -0.5261 -0.1278 -0.7418
+ 9176TIP3   OH228975   4.758   4.545   6.100  0.2777 -0.2882  0.1657
+ 9176TIP3    H128976   4.742   4.568   6.009  0.2632  0.6088  0.3955
+ 9176TIP3    H228977   4.849   4.514   6.101  0.1482 -0.6926 -0.2197
+ 9177TIP3   OH228978   2.988   6.117   6.115  0.2372 -0.0021  0.2159
+ 9177TIP3    H128979   3.062   6.078   6.068 -1.1945 -2.0751 -0.4199
+ 9177TIP3    H228980   2.929   6.148   6.046 -0.9555 -1.2778  0.6275
+ 9178TIP3   OH228981   0.622   4.230   1.188 -0.2094  0.8099  0.6723
+ 9178TIP3    H128982   0.649   4.168   1.256  0.5788  2.6923  2.1422
+ 9178TIP3    H228983   0.699   4.237   1.131 -0.1122  0.8099  0.8010
+ 9179TIP3   OH228984   3.517   3.213   5.638 -0.0918 -0.1913 -0.2148
+ 9179TIP3    H128985   3.554   3.283   5.692 -0.6690  0.7944 -1.0601
+ 9179TIP3    H228986   3.472   3.259   5.567  0.6945 -1.4527 -1.5665
+ 9180TIP3   OH228987   5.911   5.159   3.630 -0.2323 -0.5749 -0.1195
+ 9180TIP3    H128988   5.987   5.162   3.687  0.9706 -1.0211 -1.6723
+ 9180TIP3    H228989   5.843   5.117   3.683  0.6164 -0.2496  1.2434
+ 9181TIP3   OH228990   3.828   3.920   6.606 -0.1575 -0.1773 -0.9856
+ 9181TIP3    H128991   3.762   3.964   6.659  0.0980 -2.0945  0.9758
+ 9181TIP3    H228992   3.878   3.992   6.565 -1.7112  1.2924 -0.3495
+ 9182TIP3   OH228993   6.033   4.664   0.144 -0.3008  0.0155  0.0601
+ 9182TIP3    H128994   5.986   4.730   0.195 -0.0718  0.4505 -0.2825
+ 9182TIP3    H228995   6.116   4.653   0.190 -1.0132 -1.2587  1.0518
+ 9183TIP3   OH228996   3.988   2.118   6.882  0.0420 -0.3102  0.1640
+ 9183TIP3    H128997   3.914   2.160   6.926 -1.7589 -4.1788  1.0316
+ 9183TIP3    H228998   3.950   2.082   6.802  1.6484  0.0423 -0.7730
+ 9184TIP3   OH228999   3.481   2.683   6.611 -0.3273 -0.3154 -0.1071
+ 9184TIP3    H129000   3.459   2.776   6.598  1.0123 -0.0417 -0.4642
+ 9184TIP3    H229001   3.562   2.684   6.662 -0.7837 -1.3092  0.6531
+ 9185TIP3   OH229002   4.353   3.513   6.822 -0.0628  0.4457  0.2950
+ 9185TIP3    H129003   4.427   3.504   6.763  0.2453 -1.7371  0.9788
+ 9185TIP3    H229004   4.390   3.558   6.899  0.0273  1.3680 -0.2848
+ 9186TIP3   OH229005   3.881   5.199  -0.013 -0.2257  0.7582  0.0412
+ 9186TIP3    H129006   3.797   5.225   0.024 -1.5498 -1.0136 -1.5830
+ 9186TIP3    H229007   3.939   5.274   0.001 -2.0343  1.9394  1.3198
+ 9187TIP3   OH229008   3.102   6.557   0.408 -0.7421  0.9055 -0.6416
+ 9187TIP3    H129009   3.150   6.535   0.328  0.2954  0.3877  0.1038
+ 9187TIP3    H229010   3.144   6.504   0.476 -0.7154  2.3586  0.4985
+ 9188TIP3   OH229011   2.365   4.879   5.695  0.0186 -0.2205  0.1029
+ 9188TIP3    H129012   2.435   4.905   5.635  1.8852 -3.7829  0.5578
+ 9188TIP3    H229013   2.318   4.809   5.649 -0.5829 -0.7346  1.4586
+ 9189TIP3   OH229014   5.934   2.870   1.009  0.0422  0.6163 -0.2984
+ 9189TIP3    H129015   6.022   2.902   0.991 -0.0510  1.0261 -0.0205
+ 9189TIP3    H229016   5.876   2.934   0.968 -0.1438  0.8205  0.2734
+ 9190TIP3   OH229017   6.212   3.479   6.624 -0.1814 -0.0387  0.0041
+ 9190TIP3    H129018   6.153   3.419   6.669 -0.9679 -0.2636 -1.2758
+ 9190TIP3    H229019   6.162   3.507   6.547  0.8988  0.7849 -0.4046
+ 9191TIP3   OH229020   5.057   2.974   0.628  0.2868  0.5502 -0.1466
+ 9191TIP3    H129021   5.010   3.039   0.680  0.8741  1.3514 -0.6112
+ 9191TIP3    H229022   4.989   2.932   0.575 -0.4276 -0.7191  1.6881
+ 9192TIP3   OH229023   4.952   4.017   0.844 -0.1278  0.2665 -0.3402
+ 9192TIP3    H129024   4.948   3.977   0.758 -0.2658  1.1784 -0.7688
+ 9192TIP3    H229025   4.862   4.012   0.877 -0.4402  1.4416 -0.9723
+ 9193TIP3   OH229026   3.397   2.285   6.878  0.0984  0.0557 -0.1800
+ 9193TIP3    H129027   3.365   2.289   6.968 -1.8995 -1.0902 -0.8126
+ 9193TIP3    H229028   3.359   2.362   6.836  3.1824  2.0794  0.5782
+ 9194TIP3   OH229029   3.572   5.574   0.829 -0.6621 -0.3579  0.0595
+ 9194TIP3    H129030   3.522   5.530   0.898  0.1201 -1.9163 -0.3416
+ 9194TIP3    H229031   3.508   5.588   0.758 -1.1239 -0.0417  0.5370
+ 9195TIP3   OH229032   5.056   3.137   5.419  0.5239  0.5100  0.2051
+ 9195TIP3    H129033   5.118   3.064   5.425 -1.8264 -1.4953  0.5675
+ 9195TIP3    H229034   5.105   3.206   5.374  2.4573 -1.6218 -1.0564
+ 9196TIP3   OH229035   4.855   3.768   1.289 -0.2318  0.3275 -0.3964
+ 9196TIP3    H129036   4.896   3.848   1.324 -1.3308  0.9051 -0.3986
+ 9196TIP3    H229037   4.769   3.797   1.259 -0.6758 -0.8907 -0.3114
+ 9197TIP3   OH229038   5.483   3.807   0.016  0.2727  0.0546  0.4318
+ 9197TIP3    H129039   5.508   3.727   0.062  0.5881 -0.3161 -0.3785
+ 9197TIP3    H229040   5.559   3.865   0.026  0.0584  0.2401  0.9900
+ 9198TIP3   OH229041   3.011   6.290   5.736  0.0997  0.4390  0.8813
+ 9198TIP3    H129042   2.929   6.273   5.782 -0.4655  0.8733  0.0481
+ 9198TIP3    H229043   3.049   6.204   5.722 -0.5249  0.1899  0.7035
+ 9199TIP3   OH229044   3.232   5.630   6.135 -0.0049  0.2726 -0.0384
+ 9199TIP3    H129045   3.143   5.600   6.116 -0.3093  0.5760  0.8890
+ 9199TIP3    H229046   3.260   5.579   6.211  0.2359  0.8896  0.2969
+ 9200TIP3   OH229047   4.565   5.743   5.334 -0.3784  0.5205 -0.2310
+ 9200TIP3    H129048   4.613   5.689   5.397 -0.5298 -1.0262 -1.3956
+ 9200TIP3    H229049   4.632   5.772   5.272 -0.3638  1.3670  0.1770
+ 9201TIP3   OH229050   2.403   5.226   5.400  0.1498  0.4863 -0.0569
+ 9201TIP3    H129051   2.401   5.309   5.352 -0.1395  0.3887 -0.2134
+ 9201TIP3    H229052   2.322   5.227   5.451  0.6061  0.7340  0.6705
+ 9202TIP3   OH229053   1.588   5.398   5.620  0.8718 -0.2429 -0.2056
+ 9202TIP3    H129054   1.569   5.404   5.526  1.5817  0.8495 -0.2774
+ 9202TIP3    H229055   1.682   5.381   5.624  0.6461 -1.3865  0.2810
+ 9203TIP3   OH229056   3.717   4.097   4.511 -0.7550 -0.2520 -0.0044
+ 9203TIP3    H129057   3.681   4.125   4.596 -3.0756 -0.7700 -0.7803
+ 9203TIP3    H229058   3.654   4.129   4.447  0.8890 -0.0345 -1.5389
+ 9204TIP3   OH229059   3.018   5.322   6.276  0.2571  0.3002  0.2865
+ 9204TIP3    H129060   3.106   5.314   6.241  0.2076  0.0047  0.2323
+ 9204TIP3    H229061   2.960   5.310   6.200  0.1209 -1.4429  0.6596
+ 9205TIP3   OH229062   5.456   5.223   4.857  0.4186 -0.9399  0.0014
+ 9205TIP3    H129063   5.394   5.173   4.910 -0.1487 -1.8486 -1.4985
+ 9205TIP3    H229064   5.495   5.159   4.798  0.7469  0.1254 -0.9606
+ 9206TIP3   OH229065   4.265   4.645   0.385  0.5658 -0.0167  0.6689
+ 9206TIP3    H129066   4.294   4.727   0.425  1.2735  0.3492 -0.5795
+ 9206TIP3    H229067   4.346   4.597   0.367  0.5202  1.2955 -3.4746
+ 9207TIP3   OH229068   5.687   2.640   6.516 -0.0313 -0.0666 -0.0140
+ 9207TIP3    H129069   5.658   2.573   6.455  0.3004 -0.3631  0.1505
+ 9207TIP3    H229070   5.688   2.721   6.465  0.4853 -0.3555 -0.4662
+ 9208TIP3   OH229071   6.614   4.644   6.402  0.2044  0.0655  0.3412
+ 9208TIP3    H129072   6.572   4.584   6.464 -0.1084 -1.1981 -1.0563
+ 9208TIP3    H229073   6.700   4.605   6.386 -0.5662 -0.8409 -1.7124
+ 9209TIP3   OH229074   4.910   3.001   4.365  0.0212  0.0769  0.2734
+ 9209TIP3    H129075   4.891   3.050   4.446  0.8918  2.8735 -1.1439
+ 9209TIP3    H229076   4.893   3.064   4.295 -0.0429 -2.0963 -1.6980
+ 9210TIP3   OH229077   2.127   4.108   6.632  0.2429 -0.7245  0.1718
+ 9210TIP3    H129078   2.201   4.065   6.674 -1.2524 -2.0839  1.4684
+ 9210TIP3    H229079   2.118   4.062   6.548  1.1492 -0.2350 -0.2012
+ 9211TIP3   OH229080   4.268   4.343   1.135  0.2696 -0.1042  0.0888
+ 9211TIP3    H129081   4.312   4.286   1.071  0.9483  0.5756 -0.0562
+ 9211TIP3    H229082   4.262   4.428   1.092 -2.6842 -0.5854 -0.5275
+ 9212TIP3   OH229083   4.033   3.308   0.314 -0.0680 -0.2961  0.1433
+ 9212TIP3    H129084   3.943   3.313   0.284 -0.3686  0.7402  1.1933
+ 9212TIP3    H229085   4.028   3.322   0.409  1.0856 -1.2711  0.3590
+ 9213TIP3   OH229086   3.277   5.339   5.725  0.4775 -0.3091 -0.0507
+ 9213TIP3    H129087   3.252   5.256   5.685 -0.7821  0.8519 -1.7445
+ 9213TIP3    H229088   3.217   5.348   5.800  0.6719 -0.9536  0.1845
+ 9214TIP3   OH229089   5.749   3.724   1.724  0.5105 -0.1793 -0.3130
+ 9214TIP3    H129090   5.705   3.640   1.710 -0.3474  0.1864  0.1725
+ 9214TIP3    H229091   5.842   3.703   1.721  0.2961 -1.1573 -0.1248
+ 9215TIP3   OH229092   6.216   4.347   0.500  0.4577  0.2786 -0.4004
+ 9215TIP3    H129093   6.163   4.414   0.543 -0.1183 -0.9608  0.8863
+ 9215TIP3    H229094   6.307   4.378   0.511  0.2740  0.3459  1.1203
+ 9216TIP3   OH229095   3.855   3.512   5.141 -0.2405  0.1560 -0.2506
+ 9216TIP3    H129096   3.785   3.462   5.183 -0.0487  0.2885  0.2289
+ 9216TIP3    H229097   3.922   3.447   5.121 -0.4631  0.0437 -0.6241
+ 9217TIP3   OH229098   4.271   3.247   6.859 -0.1604  0.2143  0.3099
+ 9217TIP3    H129099   4.303   3.337   6.847  0.1289 -0.0218 -0.7746
+ 9217TIP3    H229100   4.331   3.208   6.922 -1.1811  1.2369  1.9479
+ 9218TIP3   OH229101   0.389   4.714   6.392  0.2324  0.0461  0.4243
+ 9218TIP3    H129102   0.336   4.716   6.312  0.1558 -0.1916  0.4688
+ 9218TIP3    H229103   0.325   4.706   6.463  0.3465 -0.6611  0.4528
+ 9219TIP3   OH229104   4.660   1.199   5.723  0.5623  0.3699 -0.0312
+ 9219TIP3    H129105   4.579   1.210   5.674  1.6117 -0.6611 -2.0476
+ 9219TIP3    H229106   4.705   1.284   5.714  0.7114  0.2117 -0.7872
+ 9220TIP3   OH229107   2.845   4.967   1.907 -0.0836  0.4105  0.2347
+ 9220TIP3    H129108   2.791   4.946   1.984 -0.9396  0.2408 -0.4081
+ 9220TIP3    H229109   2.930   4.992   1.944 -0.9949  2.0126  1.3587
+ 9221TIP3   OH229110   4.784   4.012   5.703 -0.3788  0.4292 -0.1348
+ 9221TIP3    H129111   4.768   3.994   5.796 -0.4278 -1.1288 -0.4425
+ 9221TIP3    H229112   4.761   3.931   5.658 -0.5588  1.2452 -1.5411
+ 9222TIP3   OH229113   2.845   4.054   1.370  0.0152  0.0709 -0.0443
+ 9222TIP3    H129114   2.822   4.087   1.457  0.9109 -0.2880  0.3365
+ 9222TIP3    H229115   2.789   4.102   1.310 -0.9437 -0.0102  0.7757
+ 9223TIP3   OH229116   4.184   4.202   5.061  0.3605  0.1516  0.0757
+ 9223TIP3    H129117   4.229   4.189   5.145  0.5663 -2.4899 -0.3972
+ 9223TIP3    H229118   4.113   4.138   5.062  0.0204  0.4873 -1.5461
+ 9224TIP3   OH229119   5.025   6.022   4.946  0.3219 -0.8804 -0.2672
+ 9224TIP3    H129120   5.104   6.013   4.999 -1.1168 -2.4958  1.6600
+ 9224TIP3    H229121   4.966   6.075   5.000 -0.4495 -0.8739 -1.0999
+ 9225TIP3   OH229122   4.310   4.205   5.986  0.5075  0.1094 -0.2073
+ 9225TIP3    H129123   4.305   4.295   5.953  0.4148  0.1850  0.0101
+ 9225TIP3    H229124   4.404   4.185   5.987  0.4498 -0.2132 -1.3687
+ 9226TIP3   OH229125   3.326   4.429   5.587 -0.2909  0.2797  0.4779
+ 9226TIP3    H129126   3.358   4.342   5.563 -0.8679  0.2782 -0.3064
+ 9226TIP3    H229127   3.249   4.442   5.533 -0.4230  1.1358  0.8611
+ 9227TIP3   OH229128   2.033   0.418   5.975 -0.3643  0.2630  0.2512
+ 9227TIP3    H129129   1.943   0.384   5.980 -0.3755  0.5363  3.1805
+ 9227TIP3    H229130   2.046   0.462   6.059  3.3191 -1.7650  0.8435
+ 9228TIP3   OH229131   3.629   4.633   5.890  0.0719 -0.1654 -0.5399
+ 9228TIP3    H129132   3.677   4.566   5.841  0.3697 -0.2095 -0.1923
+ 9228TIP3    H229133   3.544   4.593   5.909  0.7995 -1.0233  0.9885
+ 9229TIP3   OH229134   5.895   3.789   5.411 -0.0864 -0.1251  0.1595
+ 9229TIP3    H129135   5.884   3.847   5.335  0.2310 -1.5159 -0.9723
+ 9229TIP3    H229136   5.960   3.833   5.465  0.0631  0.6295 -0.6193
+ 9230TIP3   OH229137   5.848   5.554   5.353  0.0388 -0.8356  0.3029
+ 9230TIP3    H129138   5.895   5.557   5.436  1.2746 -0.7847 -0.3694
+ 9230TIP3    H229139   5.911   5.591   5.290 -1.2780  0.1374 -0.4575
+ 9231TIP3   OH229140   4.298   5.760   6.288 -0.1000  0.0777  0.0972
+ 9231TIP3    H129141   4.221   5.816   6.276 -0.5431 -0.4271  0.5535
+ 9231TIP3    H229142   4.281   5.713   6.370  1.1246  0.6666  0.7220
+ 9232TIP3   OH229143   3.820   6.365   4.134 -0.3752 -0.0791  0.0253
+ 9232TIP3    H129144   3.777   6.419   4.068  0.2805  0.8861  0.3684
+ 9232TIP3    H229145   3.791   6.276   4.116 -1.9346  0.4610 -0.2005
+ 9233TIP3   OH229146   2.873   4.828   4.861 -0.1978 -0.1845 -0.2901
+ 9233TIP3    H129147   2.864   4.923   4.867  1.8058 -0.0835  1.5533
+ 9233TIP3    H229148   2.935   4.814   4.790  0.8974 -0.0378  0.6360
+ 9234TIP3   OH229149   6.297   2.937   1.851 -0.3325  0.1467  0.0175
+ 9234TIP3    H129150   6.360   2.938   1.779  0.5930  2.0140  0.8371
+ 9234TIP3    H229151   6.214   2.913   1.809  0.7302 -1.5950 -1.1891
+ 9235TIP3   OH229152   6.617   4.998   1.431  0.5792 -0.0999  0.1257
+ 9235TIP3    H129153   6.582   4.935   1.369 -0.0951  2.6886 -2.4259
+ 9235TIP3    H229154   6.550   5.004   1.499 -1.0465  0.5157 -1.4807
+ 9236TIP3   OH229155   5.456   5.277   6.424 -0.2504 -0.3117 -0.5908
+ 9236TIP3    H129156   5.441   5.200   6.370 -0.2471 -2.3305  2.1971
+ 9236TIP3    H229157   5.372   5.293   6.467  0.4760 -0.4261  0.8953
+ 9237TIP3   OH229158   4.901   2.061   6.071 -0.5057 -0.7031 -0.3534
+ 9237TIP3    H129159   4.924   2.151   6.047 -0.2752 -0.4090  0.9775
+ 9237TIP3    H229160   4.814   2.068   6.109 -0.3309 -0.9949  0.0966
+ 9238TIP3   OH229161   1.321   3.842   6.628  0.0561 -0.1864  0.3454
+ 9238TIP3    H129162   1.384   3.770   6.633 -0.7757 -0.9036  0.6983
+ 9238TIP3    H229163   1.269   3.823   6.549 -0.1374  0.0437  0.4171
+ 9239TIP3   OH229164   2.973   5.005   6.809  0.0320  0.1246  0.2303
+ 9239TIP3    H129165   2.922   4.959   6.743 -1.0757 -0.8813  1.7784
+ 9239TIP3    H229166   2.978   5.095   6.776  0.2254 -0.5456 -1.6354
+ 9240TIP3   OH229167   3.905   5.450   1.608 -0.1477  0.4798  0.3816
+ 9240TIP3    H129168   3.858   5.509   1.668  1.7533  0.2295  2.1954
+ 9240TIP3    H229169   3.990   5.493   1.595  0.6612 -1.0655  0.4677
+ 9241TIP3   OH229170   3.600   4.670   1.828 -0.1421  0.5612  0.1625
+ 9241TIP3    H129171   3.683   4.660   1.874  1.2370  1.6758 -1.9498
+ 9241TIP3    H229172   3.559   4.746   1.869  1.3461  1.9178 -0.7655
+ 9242TIP3   OH229173   0.296   4.886   5.974 -0.0257  0.5386  0.1002
+ 9242TIP3    H129174   0.370   4.945   5.967 -0.4012  0.7778 -2.3428
+ 9242TIP3    H229175   0.222   4.937   5.941 -0.0759 -1.6998 -3.5288
+ 9243TIP3   OH229176   5.068   4.807   1.195  0.3786  0.6405 -0.7986
+ 9243TIP3    H129177   5.128   4.845   1.131 -1.2430  0.6806 -2.3348
+ 9243TIP3    H229178   5.006   4.756   1.143 -0.2512 -0.3164  0.8434
+ 9244TIP3   OH229179   5.797   2.501   5.160 -0.1567  0.3460  0.9073
+ 9244TIP3    H129180   5.869   2.454   5.202 -0.2556  0.2694  0.9928
+ 9244TIP3    H229181   5.796   2.468   5.070  1.2811  1.9276  0.3006
+ 9245TIP3   OH229182   4.974   2.784   6.808 -0.1899 -0.1405 -0.4433
+ 9245TIP3    H129183   5.046   2.829   6.763 -1.0805 -0.0969 -1.8408
+ 9245TIP3    H229184   4.954   2.709   6.753 -2.1901  0.6607 -0.8186
+ 9246TIP3   OH229185   3.941   4.643   0.982  0.3345  0.4830 -0.0684
+ 9246TIP3    H129186   3.947   4.572   1.046 -0.4982  1.7479  1.4299
+ 9246TIP3    H229187   3.874   4.614   0.920 -1.2031  0.6626  1.4732
+ 9247TIP3   OH229188   2.365   5.822   5.351 -0.3408  0.1503 -0.2386
+ 9247TIP3    H129189   2.324   5.825   5.438  1.9310  0.5141  0.8639
+ 9247TIP3    H229190   2.319   5.889   5.300  0.1008  1.8422  1.5194
+ 9248TIP3   OH229191   5.425   5.114   6.862 -0.1778  0.1386 -0.0298
+ 9248TIP3    H129192   5.391   5.032   6.898  0.5757  0.0206  0.4321
+ 9248TIP3    H229193   5.377   5.127   6.781 -1.3956  0.0260  0.6687
+ 9249TIP3   OH229194   5.438   3.787   6.629 -0.0804  0.3789  0.5019
+ 9249TIP3    H129195   5.492   3.858   6.595  0.6984 -0.7645 -0.7603
+ 9249TIP3    H229196   5.452   3.788   6.723  2.5386 -0.1768  0.1517
+ 9250TIP3   OH229197   4.113   4.287   6.168 -0.0951 -0.2671  0.3160
+ 9250TIP3    H129198   4.146   4.371   6.138 -0.2825  0.1812  1.3503
+ 9250TIP3    H229199   4.162   4.222   6.118  2.0128  0.3876  1.4906
+ 9251TIP3   OH229200   5.279   5.183   2.024 -0.0202 -0.4744  0.2609
+ 9251TIP3    H129201   5.269   5.164   1.930  0.5461 -0.7780  0.2607
+ 9251TIP3    H229202   5.322   5.105   2.059 -3.2065 -1.8136  1.3785
+ 9252TIP3   OH229203   2.880   0.353   1.025  0.3281  0.3066  0.0870
+ 9252TIP3    H129204   2.895   0.260   1.037  0.1052  0.0540 -1.5242
+ 9252TIP3    H229205   2.820   0.359   0.951 -0.8855  1.6743  1.1331
+ 9253TIP3   OH229206   4.245   6.158   1.403 -0.1695 -0.1434 -0.1037
+ 9253TIP3    H129207   4.318   6.176   1.462  0.0820 -0.2960 -0.3663
+ 9253TIP3    H229208   4.182   6.109   1.456 -0.3373  0.4880  0.2866
+ 9254TIP3   OH229209   4.501   0.398   5.490  0.2103 -0.2159 -0.0686
+ 9254TIP3    H129210   4.433   0.349   5.536  1.0014  0.3929  1.7704
+ 9254TIP3    H229211   4.493   0.369   5.399 -2.4053 -0.2725  0.1347
+ 9255TIP3   OH229212   3.478   4.188   5.063 -0.1635  0.1846  0.6496
+ 9255TIP3    H129213   3.385   4.205   5.078 -0.2134 -1.2899  2.0199
+ 9255TIP3    H229214   3.481   4.144   4.978 -0.4480  2.6485 -0.6929
+ 9256TIP3   OH229215   6.752   2.711   0.055 -0.1976 -0.0581 -0.1394
+ 9256TIP3    H129216   6.663   2.677   0.041 -1.4392  2.4837  1.2618
+ 9256TIP3    H229217   6.790   2.650   0.118 -1.1424 -0.9045 -0.3683
+ 9257TIP3   OH229218   3.927   4.423   6.706 -0.3306 -0.2119  0.2756
+ 9257TIP3    H129219   3.961   4.352   6.651  0.3863  0.3312  0.0107
+ 9257TIP3    H229220   3.875   4.476   6.646  0.5824  0.4713  0.0693
+ 9258TIP3   OH229221   3.960   5.069   6.232 -0.1698  0.4355  0.3549
+ 9258TIP3    H129222   4.029   5.059   6.166 -1.2213  0.9923 -0.8477
+ 9258TIP3    H229223   3.974   4.996   6.292  0.4168 -0.4598 -0.8497
+ 9259TIP3   OH229224   1.810   6.121   5.817 -0.0567 -0.3484  0.1243
+ 9259TIP3    H129225   1.793   6.030   5.840  1.1390 -0.6130 -0.0074
+ 9259TIP3    H229226   1.741   6.170   5.861  0.6419 -1.1033  2.1105
+ 9260TIP3   OH229227   4.612   5.809   6.356  0.7313  0.1470  0.6114
+ 9260TIP3    H129228   4.542   5.790   6.294  0.8984  0.3511  0.3636
+ 9260TIP3    H229229   4.686   5.757   6.327  0.5379 -0.4344  1.1495
+ 9261TIP3   OH229230   4.045   4.842   6.363  0.3611  0.1743  0.0692
+ 9261TIP3    H129231   4.139   4.826   6.359  0.6100  1.7235 -0.9651
+ 9261TIP3    H229232   4.007   4.778   6.303  0.8573  0.1693 -0.2388
+ 9262TIP3   OH229233   3.509   3.828   0.977 -0.2825  0.5500  0.4089
+ 9262TIP3    H129234   3.545   3.740   0.991  1.4631  1.3386  1.0014
+ 9262TIP3    H229235   3.415   3.817   0.991 -0.2747 -1.5024 -0.8672
+ 9263TIP3   OH229236   4.501   1.114   5.245  0.4320 -0.2875  0.0000
+ 9263TIP3    H129237   4.542   1.196   5.271 -0.5810 -0.2158  1.4711
+ 9263TIP3    H229238   4.563   1.046   5.272  0.9906 -0.0404 -0.6534
+ 9264TIP3   OH229239   4.250   1.784   6.840  0.0153 -0.0163 -0.6317
+ 9264TIP3    H129240   4.214   1.830   6.916 -0.1972  0.4447 -1.0126
+ 9264TIP3    H229241   4.209   1.698   6.842 -0.0177  0.0080 -0.2458
+ 9265TIP3   OH229242   4.870   4.829   5.541  0.4847  0.4489  0.4906
+ 9265TIP3    H129243   4.885   4.904   5.599  2.1928  1.8149 -1.6312
+ 9265TIP3    H229244   4.949   4.775   5.552 -0.1157 -0.3539  0.9559
+ 9266TIP3   OH229245   4.583   6.647   6.051  0.4015 -0.6659 -0.5430
+ 9266TIP3    H129246   4.630   6.571   6.084  1.2221  0.1008  0.0650
+ 9266TIP3    H229247   4.507   6.655   6.108  0.6957 -0.6107 -0.1519
+ 9267TIP3   OH229248   0.840   3.321   5.983  0.3764 -0.0414 -0.1049
+ 9267TIP3    H129249   0.905   3.383   5.949 -0.1031  0.6459  0.2216
+ 9267TIP3    H229250   0.756   3.360   5.960  0.0492  0.3858  1.7755
+ 9268TIP3   OH229251   2.034   6.013   6.076  0.2528  0.1015 -0.0324
+ 9268TIP3    H129252   2.059   5.969   5.994  0.4982 -1.9121  1.0891
+ 9268TIP3    H229253   2.089   6.091   6.079  0.7319 -0.1598 -1.4554
+ 9269TIP3   OH229254   2.833   6.396   6.748  0.1382  0.1597 -0.3363
+ 9269TIP3    H129255   2.835   6.489   6.769  1.8541  0.0694 -0.0699
+ 9269TIP3    H229256   2.828   6.352   6.833 -1.3927  0.0140 -0.4876
+ 9270TIP3   OH229257   5.649   4.950   0.289 -0.5444 -0.7241 -0.3464
+ 9270TIP3    H129258   5.678   5.033   0.327 -0.5835 -0.7469 -0.2671
+ 9270TIP3    H229259   5.653   4.965   0.194  1.0069 -1.1609 -0.3701
+ 9271TIP3   OH229260   0.696   3.133  -0.009 -0.1677 -0.8451  0.5486
+ 9271TIP3    H129261   0.751   3.211  -0.009  0.9707 -1.6275 -1.3144
+ 9271TIP3    H229262   0.640   3.144   0.068  0.5616  1.3789  0.8045
+ 9272TIP3   OH229263   6.150   6.805   5.506 -0.3165 -0.2478 -0.0469
+ 9272TIP3    H129264   6.102   6.835   5.584  0.6270  0.2909  0.3382
+ 9272TIP3    H229265   6.154   6.882   5.450  2.2609  0.4478  1.0180
+ 9273TIP3   OH229266   2.521   5.644   0.020 -0.4899 -0.3345  0.5037
+ 9273TIP3    H129267   2.455   5.588  -0.022 -1.5413  0.8464  0.5483
+ 9273TIP3    H229268   2.476   5.727   0.034  1.3684  0.8741 -0.5227
+ 9274TIP3   OH229269   4.106   5.720   0.091  0.5687  0.4332  0.1827
+ 9274TIP3    H129270   4.157   5.771   0.154  0.3761  1.2878 -0.3361
+ 9274TIP3    H229271   4.071   5.647   0.142  0.8129  0.8500  0.9627
+ 9275TIP3   OH229272   1.804   4.321   2.908  0.0053  0.0780  0.2850
+ 9275TIP3    H129273   1.824   4.367   2.989 -0.0183 -0.2605  0.4871
+ 9275TIP3    H229274   1.887   4.279   2.883  0.1555  0.6357 -0.1655
+ 9276TIP3   OH229275   0.020   2.365   6.598 -0.5553  0.1199  0.9793
+ 9276TIP3    H129276  -0.062   2.375   6.645 -0.9309 -1.2459  0.6534
+ 9276TIP3    H229277   0.068   2.298   6.648  0.4716  1.0961  1.3220
+ 9277TIP3   OH229278   0.139   4.364   5.929 -0.5918 -0.3766 -0.0954
+ 9277TIP3    H129279   0.055   4.409   5.937 -0.0599  0.6437 -0.1483
+ 9277TIP3    H229280   0.132   4.289   5.987 -2.0160 -1.0180 -1.0802
+ 9278TIP3   OH229281   0.732   3.128   6.217  0.1241  0.2957  0.4465
+ 9278TIP3    H129282   0.692   3.177   6.146 -0.1931  0.3465  0.6562
+ 9278TIP3    H229283   0.757   3.044   6.178  1.5636  0.9904 -0.1514
+ 9279TIP3   OH229284   4.807   5.328   6.708  0.1767  0.1689  0.2403
+ 9279TIP3    H129285   4.745   5.401   6.713 -0.4077 -0.3527  0.6634
+ 9279TIP3    H229286   4.872   5.347   6.775 -0.8013 -0.4525  1.3959
+ 9280TIP3   OH229287   0.454   4.075   5.168  0.2851 -0.2076  0.5810
+ 9280TIP3    H129288   0.397   4.007   5.134 -0.4840  0.5628  0.3160
+ 9280TIP3    H229289   0.473   4.048   5.258  0.7834 -1.2678  0.1710
+ 9281TIP3   OH229290   3.018   3.195   6.498  0.0873  0.0745 -0.2671
+ 9281TIP3    H129291   2.975   3.280   6.488 -1.3678 -0.6423 -0.2670
+ 9281TIP3    H229292   2.946   3.134   6.511  1.1428 -1.1240 -0.0146
+ 9282TIP3   OH229293   3.855   3.451   5.509  0.1984 -0.1970 -0.7823
+ 9282TIP3    H129294   3.806   3.520   5.466  0.2987  1.7794  2.1851
+ 9282TIP3    H229295   3.943   3.458   5.473  0.0640  0.8643 -0.9118
+ 9283TIP3   OH229296   5.845   1.310   5.678  0.1077  0.3911  0.8036
+ 9283TIP3    H129297   5.813   1.319   5.768  0.3603  1.5007  0.7871
+ 9283TIP3    H229298   5.911   1.378   5.669  0.5353 -0.1261 -0.0315
+ 9284TIP3   OH229299   1.098   3.927   0.887  0.6097  0.2025  0.0965
+ 9284TIP3    H129300   1.060   3.857   0.833  0.3596 -0.0761  0.6347
+ 9284TIP3    H229301   1.037   3.937   0.960 -0.0632  1.8830 -0.6483
+ 9285TIP3   OH229302   0.636   2.709   5.066 -0.0943 -0.0538  0.2527
+ 9285TIP3    H129303   0.644   2.669   5.152  0.8564  0.8531  0.5939
+ 9285TIP3    H229304   0.581   2.786   5.080 -2.2152 -1.3791 -0.4682
+ 9286TIP3   OH229305   0.467   3.100   0.207  0.0678  0.0910  0.6824
+ 9286TIP3    H129306   0.520   3.058   0.275  0.8726 -1.2602 -0.7307
+ 9286TIP3    H229307   0.388   3.048   0.202 -1.3801  2.0153  2.6768
+ 9287TIP3   OH229308   5.607   2.104   5.855  0.5307  0.4421  0.2808
+ 9287TIP3    H129309   5.548   2.029   5.864  0.9546  0.2123  1.2130
+ 9287TIP3    H229310   5.556   2.178   5.887  0.7780  0.2202  1.2160
+ 9288TIP3   OH229311   6.165   4.348   0.876  0.1765  0.8790  0.2027
+ 9288TIP3    H129312   6.098   4.407   0.842 -1.0710  0.4008  1.7537
+ 9288TIP3    H229313   6.128   4.313   0.957 -0.0458 -3.6780 -1.7075
+ 9289TIP3   OH229314   6.229   4.127   2.226  0.5578  0.3194 -0.1117
+ 9289TIP3    H129315   6.167   4.111   2.297  1.1551 -1.1366  0.1059
+ 9289TIP3    H229316   6.271   4.210   2.249 -0.3591  0.6452  0.4211
+ 9290TIP3   OH229317   6.241   6.359   0.155  0.0170  0.1951 -0.4919
+ 9290TIP3    H129318   6.231   6.454   0.163 -0.7073  0.4367 -3.6240
+ 9290TIP3    H229319   6.317   6.338   0.208  0.7701  2.6748 -0.5326
+ 9291TIP3   OH229320   6.345   3.895   6.245 -0.1575  0.1614  0.1315
+ 9291TIP3    H129321   6.378   3.822   6.297  0.8005 -0.6447 -1.5576
+ 9291TIP3    H229322   6.408   3.904   6.173 -2.2354  0.2157 -1.7741
+ 9292TIP3   OH229323   4.608   3.420   6.391 -0.2380 -0.3418 -0.8051
+ 9292TIP3    H129324   4.601   3.496   6.333 -2.4943 -1.3424 -1.9194
+ 9292TIP3    H229325   4.646   3.351   6.336  2.0311  0.0223  0.2689
+ 9293TIP3   OH229326   6.700   6.309   1.295 -0.3261 -0.4559  0.3387
+ 9293TIP3    H129327   6.636   6.379   1.301 -1.7044 -1.5990 -0.4768
+ 9293TIP3    H229328   6.727   6.309   1.203  0.5077 -0.2724  0.5796
+ 9294TIP3   OH229329   5.129   5.377   1.444  0.2793  0.5917 -0.1366
+ 9294TIP3    H129330   5.067   5.440   1.407  0.5371  1.5105  0.9849
+ 9294TIP3    H229331   5.162   5.329   1.368 -0.6307  1.1537 -0.9018
+ 9295TIP3   OH229332   0.275   3.887   4.772 -0.3329 -0.1091  0.7181
+ 9295TIP3    H129333   0.224   3.940   4.834 -0.7418  0.8467 -0.4159
+ 9295TIP3    H229334   0.222   3.886   4.692 -0.2115 -2.0444  0.6465
+ 9296TIP3   OH229335   1.328   0.543   4.741  0.3037  0.0131 -0.6922
+ 9296TIP3    H129336   1.383   0.479   4.787 -0.7329 -0.2140  0.2303
+ 9296TIP3    H229337   1.320   0.507   4.653 -3.5585 -3.2743  0.8456
+ 9297TIP3   OH229338   0.083   2.992   6.137 -0.7353 -0.2877 -0.4368
+ 9297TIP3    H129339   0.152   2.967   6.198 -1.7771 -0.3796  0.7355
+ 9297TIP3    H229340   0.010   2.934   6.158 -2.1420  1.6612  0.2716
+ 9298TIP3   OH229341   5.375   5.817   6.476  0.3869 -0.1656 -0.5410
+ 9298TIP3    H129342   5.313   5.780   6.412  0.0493  0.4843 -0.5967
+ 9298TIP3    H229343   5.454   5.765   6.465  0.3401 -0.0443 -1.5082
+ 9299TIP3   OH229344   5.402   4.300   6.267 -0.6023 -0.6599  0.5663
+ 9299TIP3    H129345   5.318   4.307   6.221  1.0194 -1.5725 -2.7196
+ 9299TIP3    H229346   5.404   4.209   6.297 -1.9743  0.1261  3.2059
+ 9300TIP3   OH229347   0.431   5.051   6.326 -0.4641  0.3226 -0.1856
+ 9300TIP3    H129348   0.469   4.966   6.349  0.5120  0.0056 -2.7981
+ 9300TIP3    H229349   0.491   5.115   6.365 -0.5614 -0.1729  0.7962
+ 9301TIP3   OH229350   6.240   5.845   3.651 -0.1223 -0.0792 -0.4330
+ 9301TIP3    H129351   6.326   5.868   3.686 -0.0173 -1.3947  0.2030
+ 9301TIP3    H229352   6.234   5.894   3.569  2.3865 -2.0609 -1.8863
+ 9302TIP3   OH229353   0.807   4.190   0.458 -0.1337  0.3486 -0.1749
+ 9302TIP3    H129354   0.721   4.204   0.497  0.0956  1.1172  0.0470
+ 9302TIP3    H229355   0.850   4.129   0.518 -0.9170 -0.8941 -0.8548
+ 9303TIP3   OH229356   2.781   2.824   6.776 -0.6036  0.2314  0.3840
+ 9303TIP3    H129357   2.715   2.764   6.811 -0.4369  0.3157  0.8507
+ 9303TIP3    H229358   2.829   2.854   6.853  0.8963 -0.8931 -0.1024
+ 9304TIP3   OH229359   6.293   4.647   0.281 -0.2601 -0.2656 -0.3554
+ 9304TIP3    H129360   6.327   4.677   0.365 -0.2075  0.6508 -0.7034
+ 9304TIP3    H229361   6.323   4.712   0.217 -1.6802 -0.0587 -0.8453
+ 9305TIP3   OH229362   6.314   5.124   5.318  0.4688  0.9707  0.6563
+ 9305TIP3    H129363   6.354   5.063   5.255  0.9585  0.9042  1.0314
+ 9305TIP3    H229364   6.222   5.097   5.321  1.0224 -0.8641  2.0940
+ 9306TIP3   OH229365   6.335   4.068   0.113 -0.1402  0.0367  0.8175
+ 9306TIP3    H129366   6.284   4.131   0.062 -1.4222 -1.4358  0.2236
+ 9306TIP3    H229367   6.323   3.985   0.066 -0.5363 -1.1554  2.9599
+ 9307TIP3   OH229368   5.878   4.225   5.359  0.0510  0.0353  0.2046
+ 9307TIP3    H129369   5.951   4.265   5.312  0.7056 -1.8156 -0.3777
+ 9307TIP3    H229370   5.800   4.270   5.326  0.5962 -0.5031 -1.8632
+ 9308TIP3   OH229371   3.489   4.711   6.431 -0.2496  0.8597  0.1585
+ 9308TIP3    H129372   3.410   4.749   6.393 -0.3161  1.3236  0.7560
+ 9308TIP3    H229373   3.550   4.785   6.437 -0.5288  0.9843  1.7213
+ 9309TIP3   OH229374   6.572   3.205   6.808  0.0244 -0.2810  0.0032
+ 9309TIP3    H129375   6.524   3.280   6.844  0.8253  0.9912 -1.4744
+ 9309TIP3    H229376   6.549   3.205   6.715  0.7557 -1.3226 -0.1874
+ 9310TIP3   OH229377   6.400   4.843   0.060 -0.3455  0.2498 -0.2385
+ 9310TIP3    H129378   6.329   4.835  -0.003 -1.8482  2.1816  1.1704
+ 9310TIP3    H229379   6.476   4.869   0.008 -1.3655  1.0199 -1.3566
+ 9311TIP3   OH229380   3.005   4.176   5.803  0.3534 -0.2927 -0.1407
+ 9311TIP3    H129381   2.989   4.139   5.890 -0.5258 -0.3559 -0.3182
+ 9311TIP3    H229382   2.933   4.142   5.750  0.2248  0.6917 -0.6052
+ 9312TIP3   OH229383   4.978   3.729   6.160 -0.2478 -0.2427  0.2546
+ 9312TIP3    H129384   4.933   3.754   6.240  1.2248  1.0646  0.6953
+ 9312TIP3    H229385   5.050   3.672   6.189 -1.8438 -2.7111 -0.4837
+ 9313TIP3   OH229386   1.572   4.564   0.463  0.1099  0.5022  0.0134
+ 9313TIP3    H129387   1.629   4.641   0.470  0.0918  0.4886  0.3594
+ 9313TIP3    H229388   1.586   4.531   0.375  2.1620 -0.6785  0.7438
+ 9314TIP3   OH229389   5.852   3.491   4.332  0.4806 -0.6220 -0.2466
+ 9314TIP3    H129390   5.850   3.396   4.331  0.7291 -0.6256 -0.6665
+ 9314TIP3    H229391   5.837   3.515   4.423  0.3767 -1.0616 -0.1494
+ 9315TIP3   OH229392   0.513   5.212   5.188 -0.0553 -0.0821 -0.0526
+ 9315TIP3    H129393   0.488   5.122   5.167 -0.4309  0.0859 -0.3367
+ 9315TIP3    H229394   0.609   5.212   5.184 -0.0613 -0.4426 -0.1647
+ 9316TIP3   OH229395   5.215   3.839   5.851  0.2244  0.0230 -0.7670
+ 9316TIP3    H129396   5.200   3.926   5.888 -1.6430 -0.6759  0.1887
+ 9316TIP3    H229397   5.264   3.855   5.770  0.4213  1.9140 -0.2812
+ 9317TIP3   OH229398   0.740   5.680   6.542  0.6448  0.2049  0.3322
+ 9317TIP3    H129399   0.694   5.726   6.612  0.1032  1.1903 -0.6456
+ 9317TIP3    H229400   0.794   5.747   6.500 -0.0061 -0.0737 -0.9815
+ 9318TIP3   OH229401   0.450   6.713   4.599  0.4381 -0.1622 -0.3095
+ 9318TIP3    H129402   0.382   6.780   4.609  1.9241  1.4515 -0.9128
+ 9318TIP3    H229403   0.410   6.647   4.543 -1.5891 -0.5666  1.5433
+ 9319TIP3   OH229404   5.291   6.218   6.619  0.9158  0.5072  0.0493
+ 9319TIP3    H129405   5.254   6.137   6.653  0.6328  0.9130  0.7181
+ 9319TIP3    H229406   5.337   6.192   6.539 -3.1588  0.3992 -2.4283
+ 9320TIP3   OH229407   5.491   3.553   0.153  0.1549 -0.2579 -0.3507
+ 9320TIP3    H129408   5.507   3.535   0.246 -0.0960 -0.1964 -0.2944
+ 9320TIP3    H229409   5.465   3.469   0.117  1.3236 -0.5190 -0.6021
+ 9321TIP3   OH229410   0.679   3.795   1.100 -0.3544  0.2744 -0.3737
+ 9321TIP3    H129411   0.592   3.808   1.063 -0.2216  3.8955  0.4338
+ 9321TIP3    H229412   0.664   3.773   1.192 -0.4035  1.0271 -0.2038
+ 9322TIP3   OH229413   5.041   1.827   6.153  0.3906 -0.3913 -0.2984
+ 9322TIP3    H129414   4.990   1.906   6.135  0.1172 -0.7517 -1.1612
+ 9322TIP3    H229415   5.132   1.856   6.150  0.2730  0.0053 -0.0463
+ 9323TIP3   OH229416   6.389   4.472   5.471  0.0940  0.3023  0.8831
+ 9323TIP3    H129417   6.442   4.536   5.425 -1.1013  0.6002 -0.1174
+ 9323TIP3    H229418   6.299   4.490   5.442 -0.6137  0.0804  2.8420
+ 9324TIP3   OH229419   5.190   5.706   5.819 -0.0836 -0.3933  0.0819
+ 9324TIP3    H129420   5.099   5.680   5.829  0.0304 -0.5068  0.8800
+ 9324TIP3    H229421   5.217   5.733   5.907 -0.0280  1.8338 -0.5936
+ 9325TIP3   OH229422   5.327   3.588   6.449  0.3366  0.5599  0.2467
+ 9325TIP3    H129423   5.393   3.643   6.491  0.0800  1.0543  0.0087
+ 9325TIP3    H229424   5.278   3.548   6.521  1.2286 -0.2183  0.4271
+ 9326TIP3   OH229425   3.807   4.218   0.533  0.0426  0.0892  0.2739
+ 9326TIP3    H129426   3.870   4.224   0.604 -0.7766 -2.1067  1.2173
+ 9326TIP3    H229427   3.799   4.124   0.515 -1.6761  0.4463 -0.9722
+ 9327TIP3   OH229428   6.637   5.684   4.858  0.2954 -0.0222 -0.9392
+ 9327TIP3    H129429   6.626   5.762   4.912  1.6922  0.7916 -1.8162
+ 9327TIP3    H229430   6.688   5.624   4.913 -1.6290 -0.7330  0.1155
+ 9328TIP3   OH229431   0.367   4.881   5.416  0.4712  0.2604  0.3152
+ 9328TIP3    H129432   0.321   4.911   5.337 -0.2181  0.1971  0.6864
+ 9328TIP3    H229433   0.332   4.793   5.431  1.9879 -0.4719 -0.3878
+ 9329TIP3   OH229434   6.759   5.246   1.547  0.3430  0.0011  0.3602
+ 9329TIP3    H129435   6.816   5.170   1.532 -0.1844 -0.4599  0.6555
+ 9329TIP3    H229436   6.670   5.213   1.532 -0.0601  0.0236  2.4392
+ 9330TIP3   OH229437   1.030   5.689   6.815 -0.2192  0.1995  0.1048
+ 9330TIP3    H129438   1.046   5.760   6.876 -0.3419  0.3971 -0.0957
+ 9330TIP3    H229439   0.935   5.688   6.803 -0.0507  1.2897 -1.4358
+ 9331TIP3   OH229440   3.826   2.988   0.521 -0.2861 -0.8867 -0.3044
+ 9331TIP3    H129441   3.900   3.041   0.550  0.0795 -0.3488 -2.1291
+ 9331TIP3    H229442   3.751   3.023   0.569  0.2083  0.3035 -0.3774
+ 9332TIP3   OH229443   5.898   3.287   5.077  0.2521  0.1602  0.2550
+ 9332TIP3    H129444   5.866   3.249   5.159  0.8090  0.7703  0.7662
+ 9332TIP3    H229445   5.965   3.225   5.047 -1.5714 -1.2569 -0.9592
+ 9333TIP3   OH229446   2.279   6.363   0.274  0.3165  0.2307  0.0686
+ 9333TIP3    H129447   2.341   6.306   0.320  0.6888  0.1862 -0.4883
+ 9333TIP3    H229448   2.198   6.311   0.270  1.0669 -0.8442 -1.6971
+ 9334TIP3   OH229449   0.244   2.535   6.520 -0.2958  0.2786 -0.2452
+ 9334TIP3    H129450   0.168   2.498   6.566 -1.4972 -0.9454 -3.0757
+ 9334TIP3    H229451   0.318   2.519   6.579 -1.8488 -0.7185  1.5043
+ 9335TIP3   OH229452   5.264   5.923   6.693 -0.1365  0.0918  0.2245
+ 9335TIP3    H129453   5.322   5.894   6.623 -1.1618 -3.9782  0.9524
+ 9335TIP3    H229454   5.313   5.909   6.773 -0.2793  1.4229  0.5634
+ 9336TIP3   OH229455   6.779   1.966   0.727 -0.2221  0.1233 -0.0851
+ 9336TIP3    H129456   6.730   2.036   0.769 -0.4174  0.1750 -0.3999
+ 9336TIP3    H229457   6.864   1.965   0.773 -0.2728  0.4627  0.0159
+ 9337TIP3   OH229458   3.412   3.699   5.287  0.0065 -0.3248 -0.0267
+ 9337TIP3    H129459   3.364   3.782   5.281  1.1832  0.2475 -2.2256
+ 9337TIP3    H229460   3.392   3.666   5.374 -1.9462  1.3816  0.2123
+ 9338TIP3   OH229461   2.839   5.834   0.227  0.3593 -0.1056  0.0978
+ 9338TIP3    H129462   2.759   5.784   0.241  0.3247 -0.0439  0.1174
+ 9338TIP3    H229463   2.887   5.828   0.310 -0.6591  1.7291  0.8477
+ 9339TIP3   OH229464   4.944   3.765   5.885 -0.4532  0.8822  0.1501
+ 9339TIP3    H129465   5.037   3.780   5.870 -0.2100 -1.3989 -0.9843
+ 9339TIP3    H229466   4.937   3.744   5.978 -0.0083  2.2264  0.4878
+ 9340TIP3   OH229467   2.224   0.462   6.611 -0.2334 -0.2831  0.0416
+ 9340TIP3    H129468   2.273   0.533   6.569  0.0846 -0.5336 -0.0040
+ 9340TIP3    H229469   2.136   0.500   6.625 -0.7753 -0.6533 -2.1522
+ 9341TIP3   OH229470   3.087   3.943   6.359  0.0630 -0.2987 -0.6335
+ 9341TIP3    H129471   3.060   3.954   6.268  1.5085 -0.4930 -1.1046
+ 9341TIP3    H229472   3.156   4.007   6.372  1.3313 -1.6931 -0.3133
+ 9342TIP3   OH229473   0.359   5.035   0.482 -0.2261 -0.3660  0.3360
+ 9342TIP3    H129474   0.399   5.061   0.565 -0.3123  0.8319  0.0143
+ 9342TIP3    H229475   0.433   5.022   0.422 -0.2707  1.1905 -0.0734
+ 9343TIP3   OH229476   1.048   3.722   1.839  0.7560  0.1032  0.0255
+ 9343TIP3    H129477   0.957   3.711   1.864  0.8996 -0.3540  0.3637
+ 9343TIP3    H229478   1.045   3.766   1.754  0.1746 -1.5892 -0.8628
+ 9344TIP3   OH229479   4.576   3.721   5.603  0.0922  0.4972 -0.4276
+ 9344TIP3    H129480   4.669   3.701   5.609  0.2987  1.1853 -1.2938
+ 9344TIP3    H229481   4.536   3.667   5.671  1.2243  0.8249  0.5255
+ 9345TIP3   OH229482   3.474   5.742   5.004 -0.0396 -0.3077  0.6455
+ 9345TIP3    H129483   3.469   5.732   4.909  2.8187 -1.1607  0.5286
+ 9345TIP3    H229484   3.503   5.832   5.017 -2.4079  0.4687  0.8303
+ 9346TIP3   OH229485   5.301   2.886   0.329 -0.0783  0.2067 -0.1307
+ 9346TIP3    H129486   5.217   2.841   0.320  0.5090 -0.8531 -0.3325
+ 9346TIP3    H229487   5.304   2.912   0.422 -0.2700 -0.4589  0.0607
+ 9347TIP3   OH229488   3.792   6.088   6.169 -0.7624  0.2789 -0.2879
+ 9347TIP3    H129489   3.747   6.144   6.105 -0.5413  1.4142  0.5434
+ 9347TIP3    H229490   3.852   6.146   6.215  0.4058 -0.8990 -0.2734
+ 9348TIP3   OH229491   0.358   4.731   3.643 -0.0843 -0.5305  0.0384
+ 9348TIP3    H129492   0.386   4.642   3.622  1.1420 -0.0877 -0.2888
+ 9348TIP3    H229493   0.348   4.731   3.738 -2.3488 -1.6282 -0.1605
+ 9349TIP3   OH229494   0.144   3.863   5.952 -0.1845  0.0828  0.4572
+ 9349TIP3    H129495   0.105   3.888   6.035 -3.6667 -2.1891 -0.3830
+ 9349TIP3    H229496   0.197   3.786   5.972 -0.5927 -0.1401  0.6807
+ 9350TIP3   OH229497   0.352   4.532   0.428 -0.0450 -0.3207  0.0877
+ 9350TIP3    H129498   0.287   4.474   0.467 -0.8392 -0.2955 -1.1720
+ 9350TIP3    H229499   0.391   4.578   0.502 -0.9834 -0.8401  0.9097
+ 9351TIP3   OH229500   2.282   1.953   6.445  0.7544  0.6061 -0.5792
+ 9351TIP3    H129501   2.217   1.908   6.392  0.2425 -1.4146  1.6660
+ 9351TIP3    H229502   2.242   1.958   6.532  3.0667  0.5108  0.5188
+ 9352TIP3   OH229503   2.956   6.569   0.735  0.9173  0.9281  0.3886
+ 9352TIP3    H129504   2.874   6.572   0.686 -0.2197  1.7019  2.2630
+ 9352TIP3    H229505   2.964   6.477   0.762  0.5312  0.8915  0.3879
+ 9353TIP3   OH229506   2.318   0.883   5.629  0.1122  0.2430  0.3139
+ 9353TIP3    H129507   2.236   0.930   5.646  0.2223  1.7180 -2.8545
+ 9353TIP3    H229508   2.377   0.911   5.698 -0.8571  2.2150  0.3713
+ 9354TIP3   OH229509   0.655   6.555   5.627  0.6343 -0.3362 -0.4179
+ 9354TIP3    H129510   0.566   6.526   5.609  1.4950 -1.3804 -3.2138
+ 9354TIP3    H229511   0.709   6.477   5.615  2.1904  0.7869 -0.9554
+ 9355TIP3   OH229512   1.264   5.773   0.491  0.1611  0.3134  0.9113
+ 9355TIP3    H129513   1.306   5.759   0.406  1.3860 -1.0253  1.7183
+ 9355TIP3    H229514   1.184   5.822   0.470  0.8676  0.7429 -0.9112
+ 9356TIP3   OH229515   2.581   6.895   0.549 -0.6985 -0.2652 -0.4246
+ 9356TIP3    H129516   2.600   6.801   0.555  0.5560  0.0504  0.7468
+ 9356TIP3    H229517   2.488   6.898   0.526 -1.0120 -1.8006  0.5235
+ 9357TIP3   OH229518   6.341   6.717   6.307  0.1725 -0.2562 -0.9748
+ 9357TIP3    H129519   6.259   6.762   6.290  0.4034 -0.0033 -1.4432
+ 9357TIP3    H229520   6.317   6.625   6.313 -0.5966  0.1113  1.9959
+ 9358TIP3   OH229521   3.797   0.838   0.034 -0.1322 -0.3969 -0.5153
+ 9358TIP3    H129522   3.862   0.827   0.103 -0.0316  0.3813 -0.4823
+ 9358TIP3    H229523   3.782   0.933   0.030 -2.3891 -0.6718  0.5086
+ 9359TIP3   OH229524   0.085   4.988   0.879  0.0511  0.0893  0.1785
+ 9359TIP3    H129525   0.071   5.082   0.890  1.2972  0.3236 -0.2050
+ 9359TIP3    H229526   0.073   4.973   0.785  1.3709  0.1340 -0.0067
+ 9360TIP3   OH229527   2.847   0.952   0.509 -0.1127  0.5298  0.1738
+ 9360TIP3    H129528   2.910   0.996   0.567 -0.5168 -1.6370  2.3484
+ 9360TIP3    H229529   2.885   0.960   0.422  0.9571  3.1332  0.8353
+ 9361TIP3   OH229530   5.738   4.570   0.104  0.1942  0.3215  0.1895
+ 9361TIP3    H129531   5.772   4.542   0.019 -1.8873  0.3057 -0.6715
+ 9361TIP3    H229532   5.766   4.661   0.112 -0.8334  0.7887 -1.2144
+ 9362TIP3   OH229533   0.547   6.758   6.765 -0.3537  0.5226  0.1892
+ 9362TIP3    H129534   0.539   6.833   6.706  1.7770  0.5741 -0.0773
+ 9362TIP3    H229535   0.584   6.795   6.846  0.5930 -0.2129  0.1030
+ 9363TIP3   OH229536   3.110   3.629   6.846 -0.2023  0.4099 -0.4454
+ 9363TIP3    H129537   3.190   3.668   6.811  1.3231 -2.4110 -0.2590
+ 9363TIP3    H229538   3.140   3.575   6.919 -2.3904 -0.0413  0.1590
+ 9364TIP3   OH229539   6.051   5.888   5.979 -0.1953 -0.4557 -0.5485
+ 9364TIP3    H129540   6.119   5.952   6.003  0.2123 -1.8003  2.0338
+ 9364TIP3    H229541   6.010   5.926   5.901  1.3007  2.0197 -0.2135
+ 9365TIP3   OH229542   1.963   5.459   6.832 -0.0788  0.0850 -0.3374
+ 9365TIP3    H129543   1.870   5.442   6.845  0.4349 -2.5863  0.0708
+ 9365TIP3    H229544   1.978   5.445   6.739 -0.1354  0.8055 -0.4577
+ 9366TIP3   OH229545   0.947   0.777   5.680 -0.1455  0.4452 -0.2897
+ 9366TIP3    H129546   0.923   0.863   5.716 -1.1951 -0.8659  2.2699
+ 9366TIP3    H229547   1.030   0.756   5.722 -0.5343 -0.3478  0.0952
+ 9367TIP3   OH229548   1.223   5.932   5.918 -0.0962  0.4189  0.0607
+ 9367TIP3    H129549   1.245   5.953   6.009  2.3326  1.1247 -0.6587
+ 9367TIP3    H229550   1.236   5.837   5.912 -0.1489  0.3885  0.4257
+ 9368TIP3   OH229551   2.526   5.952   5.131  0.0906  0.2934 -0.8127
+ 9368TIP3    H129552   2.547   5.917   5.218 -0.4374 -0.0125 -0.8068
+ 9368TIP3    H229553   2.432   5.970   5.134  0.4620  2.3401 -0.6071
+ 9369TIP3   OH229554   1.623   0.139   0.394 -0.3218 -0.0268  0.1946
+ 9369TIP3    H129555   1.676   0.149   0.315 -2.1724  0.0987 -1.0692
+ 9369TIP3    H229556   1.653   0.209   0.451  0.7842  0.1212 -0.5422
+ 9370TIP3   OH229557   1.490   0.539   5.808 -0.0572 -0.0357 -0.2170
+ 9370TIP3    H129558   1.447   0.464   5.768 -0.1800  0.3177 -0.7581
+ 9370TIP3    H229559   1.527   0.588   5.734  1.6152 -0.5381  0.2683
+ 9371TIP3   OH229560   3.998   0.330   6.411  0.3006  0.5411  0.6329
+ 9371TIP3    H129561   4.042   0.311   6.494  0.1829  0.0933  0.5940
+ 9371TIP3    H229562   3.905   0.323   6.431  0.2226  2.0986  0.8600
+ 9372TIP3   OH229563   2.320   4.716   3.972 -0.2383  0.3837 -0.1361
+ 9372TIP3    H129564   2.390   4.774   3.942  0.7435 -0.9916 -0.5553
+ 9372TIP3    H229565   2.336   4.707   4.066  0.6574 -0.5756 -0.3686
+ 9373TIP3   OH229566   0.676   0.265   6.156  0.1098 -0.7656 -0.4878
+ 9373TIP3    H129567   0.658   0.347   6.202 -0.3472 -0.1245 -1.7821
+ 9373TIP3    H229568   0.723   0.291   6.076 -0.9988 -1.6498 -1.4565
+ 9374TIP3   OH229569   1.668   5.302   0.375 -0.3881 -0.4530 -0.5345
+ 9374TIP3    H129570   1.609   5.255   0.315 -0.1842 -0.6347 -0.5913
+ 9374TIP3    H229571   1.637   5.392   0.373  0.6519 -0.1124 -2.2043
+ 9375TIP3   OH229572   0.568   5.529   4.450  0.3914 -0.3219  0.6753
+ 9375TIP3    H129573   0.661   5.509   4.451  0.6606  0.8646  0.5596
+ 9375TIP3    H229574   0.562   5.617   4.488 -0.3997  0.6355 -1.5248
+ 9376TIP3   OH229575   0.625   6.762   4.831  0.1069  1.0041 -0.4568
+ 9376TIP3    H129576   0.590   6.721   4.910  0.3245  1.7815  0.0491
+ 9376TIP3    H229577   0.562   6.739   4.762 -0.8517  1.5020  0.2379
+ 9377TIP3   OH229578   0.828   4.249   1.017  0.0628  0.4003  0.3944
+ 9377TIP3    H129579   0.865   4.212   0.937 -1.6711  0.2585 -0.3629
+ 9377TIP3    H229580   0.851   4.342   1.013  2.7808 -0.2037  1.3629
+ 9378TIP3   OH229581   4.879   0.045   4.510  0.1131 -0.3527  0.0144
+ 9378TIP3    H129582   4.888  -0.003   4.592  0.8739 -0.8866 -0.3653
+ 9378TIP3    H229583   4.969   0.069   4.487 -0.1585  0.3607 -0.3306
+ 9379TIP3   OH229584   2.729   5.913   1.009 -0.1414  0.6808 -0.4032
+ 9379TIP3    H129585   2.806   5.864   1.037 -1.4229 -0.0366  1.9805
+ 9379TIP3    H229586   2.658   5.849   1.011 -1.3976  2.0787  0.4680
+ 9380TIP3   OH229587   0.726   6.747   0.954 -0.0263  0.1916 -0.2993
+ 9380TIP3    H129588   0.756   6.745   1.045 -1.8140 -0.6536  0.2821
+ 9380TIP3    H229589   0.797   6.705   0.905  0.7780  0.3148  0.7427
+ 9381TIP3   OH229590   1.515   1.704   0.202 -0.4298 -0.2360 -0.2107
+ 9381TIP3    H129591   1.423   1.727   0.213 -0.4463  0.2162 -1.2383
+ 9381TIP3    H229592   1.518   1.655   0.120  0.4698  1.1024 -0.9997
+ 9382TIP3   OH229593   6.067   5.838   0.892 -0.0479  0.3590 -0.1648
+ 9382TIP3    H129594   6.094   5.869   0.978 -1.4773  0.2171  0.3460
+ 9382TIP3    H229595   6.141   5.785   0.861 -0.3118 -1.2094  1.8021
+ 9383TIP3   OH229596   0.756   4.267   6.325  0.3538 -0.8087 -0.0073
+ 9383TIP3    H129597   0.688   4.231   6.269  1.0603  1.8249 -2.6906
+ 9383TIP3    H229598   0.838   4.233   6.289  0.8895  1.8273 -1.3836
+ 9384TIP3   OH229599   5.852   6.273   6.462  0.3189 -0.5015 -0.2180
+ 9384TIP3    H129600   5.870   6.365   6.481  0.8902 -0.5359 -0.5841
+ 9384TIP3    H229601   5.757   6.269   6.453  0.2324 -0.0741  0.4578
+ 9385TIP3   OH229602   5.279   0.257   5.776 -0.1382  0.0783  0.0818
+ 9385TIP3    H129603   5.204   0.225   5.827 -1.0867 -0.1187 -1.4100
+ 9385TIP3    H229604   5.341   0.287   5.842 -1.7281  0.7031  1.3352
+ 9386TIP3   OH229605   0.708   5.417   6.166 -0.3505 -0.4596 -0.0761
+ 9386TIP3    H129606   0.782   5.371   6.125 -0.0087 -0.2873  0.3474
+ 9386TIP3    H229607   0.724   5.409   6.260 -1.4862 -1.4273  0.0427
+ 9387TIP3   OH229608   5.608   3.909   6.387  0.3952  0.3503  0.5748
+ 9387TIP3    H129609   5.643   3.938   6.472 -0.7183 -1.4456  1.6692
+ 9387TIP3    H229610   5.662   3.834   6.363 -0.1906 -0.0102  0.3748
+ 9388TIP3   OH229611   0.552   5.703   5.246 -0.1636  0.2308 -0.3012
+ 9388TIP3    H129612   0.469   5.736   5.281 -0.0930 -0.6690  0.7472
+ 9388TIP3    H229613   0.530   5.616   5.212  0.3151  0.0491 -0.1454
+ 9389TIP3   OH229614   1.388   0.159   1.274  0.4361 -0.4279  0.2938
+ 9389TIP3    H129615   1.381   0.139   1.180  0.8549  1.5496 -0.2038
+ 9389TIP3    H229616   1.422   0.079   1.314  0.2477 -1.2971 -1.2463
+ 9390TIP3   OH229617   6.782   6.731   0.040 -0.0309  0.1016  0.2584
+ 9390TIP3    H129618   6.739   6.814   0.063 -2.0697 -0.7602 -0.3415
+ 9390TIP3    H229619   6.786   6.732  -0.055  0.5995 -0.1657  0.2834
+ 9391TIP3   OH229620   1.066   1.123   5.540 -0.2682 -0.3290  0.2839
+ 9391TIP3    H129621   0.993   1.183   5.524 -0.3429 -0.0188  1.7444
+ 9391TIP3    H229622   1.059   1.057   5.471 -0.7356  0.8178 -0.7919
+ 9392TIP3   OH229623   0.383   0.907   5.159 -0.0458 -0.0600 -0.4276
+ 9392TIP3    H129624   0.409   0.976   5.098  1.3970  0.5060  0.7987
+ 9392TIP3    H229625   0.313   0.946   5.212  0.9024  0.5402  0.3933
+ 9393TIP3   OH229626   1.507   1.633   4.797  0.1204  0.7136 -0.6743
+ 9393TIP3    H129627   1.473   1.548   4.770  1.1740  0.3018 -0.7039
+ 9393TIP3    H229628   1.485   1.692   4.725  2.5519 -0.2933 -2.2874
+ 9394TIP3   OH229629   1.961   6.917   6.795 -0.1570  0.1131  0.4327
+ 9394TIP3    H129630   2.042   6.912   6.744 -0.1635  1.6468  0.2320
+ 9394TIP3    H229631   1.971   6.850   6.862  0.9266 -0.2642 -0.0786
+ 9395TIP3   OH229632   4.453   6.063   4.883 -0.3379  0.1181  0.1462
+ 9395TIP3    H129633   4.432   5.991   4.825 -3.1102 -0.2314  1.4766
+ 9395TIP3    H229634   4.401   6.137   4.849 -1.4550  0.0876  1.7343
+ 9396TIP3   OH229635   0.128   6.320   5.287 -0.2757  0.3127  0.2586
+ 9396TIP3    H129636   0.076   6.333   5.208 -1.8992 -1.7969  0.9356
+ 9396TIP3    H229637   0.208   6.277   5.257 -0.1101  1.1097 -0.4459
+ 9397TIP3   OH229638   6.197   5.552   0.454  0.1569 -0.0526  0.5134
+ 9397TIP3    H129639   6.215   5.458   0.455 -0.9752 -0.2868  2.0348
+ 9397TIP3    H229640   6.162   5.569   0.366 -0.5601 -1.2452  0.5597
+ 9398TIP3   OH229641   0.092   6.272   0.936 -0.1124  0.2833  0.5910
+ 9398TIP3    H129642   0.124   6.184   0.954 -2.0947 -0.5456  0.2096
+ 9398TIP3    H229643   0.101   6.281   0.841  0.4935  0.6686  0.6818
+ 9399TIP3   OH229644   1.990   1.631   4.826  0.0870 -0.5280 -0.4775
+ 9399TIP3    H129645   1.974   1.544   4.864  0.1435  0.7097  2.5693
+ 9399TIP3    H229646   1.904   1.660   4.797 -0.0995 -1.2056 -0.6239
+ 9400TIP3   OH229647   1.395   6.620   1.605  0.5114 -0.4419  0.2549
+ 9400TIP3    H129648   1.434   6.702   1.577  0.2326 -0.0252  1.0860
+ 9400TIP3    H229649   1.383   6.570   1.524 -2.1189  1.5359 -0.6163
+ 9401TIP3   OH229650   0.304   4.701   2.203 -0.1540 -0.3321 -0.1959
+ 9401TIP3    H129651   0.318   4.777   2.145 -0.9084 -0.0152  0.0334
+ 9401TIP3    H229652   0.379   4.644   2.185  1.8193  1.6353  1.5213
+ 9402TIP3   OH229653   1.663   5.923   5.174 -0.3269  0.6199 -0.4416
+ 9402TIP3    H129654   1.736   5.866   5.195  0.5492  1.2467 -1.7429
+ 9402TIP3    H229655   1.703   6.002   5.138 -1.5959  1.3761 -0.2245
+ 9403TIP3   OH229656   0.598   4.502   6.360  0.2111  0.0612  0.0450
+ 9403TIP3    H129657   0.632   4.461   6.280 -1.5908 -1.3167 -0.0404
+ 9403TIP3    H229658   0.569   4.589   6.332  2.7370  0.8917 -0.0727
+ 9404TIP3   OH229659   0.391   0.645   5.073  0.2413  0.3241  0.4581
+ 9404TIP3    H129660   0.482   0.623   5.055 -0.1441 -1.4223  0.5099
+ 9404TIP3    H229661   0.394   0.732   5.113  1.5364  1.9963 -3.1101
+ 9405TIP3   OH229662   0.856   6.226   0.631  0.1690 -0.3568 -0.2735
+ 9405TIP3    H129663   0.762   6.217   0.639  0.2334 -0.6021  0.1916
+ 9405TIP3    H229664   0.881   6.287   0.700  0.2555  0.3251 -0.8894
+ 9406TIP3   OH229665   6.362   6.109   5.170 -0.5254  0.3359  0.1092
+ 9406TIP3    H129666   6.384   6.016   5.169 -0.2143  0.3931  1.0000
+ 9406TIP3    H229667   6.351   6.130   5.263  0.2911  1.3959 -0.0203
+ 9407TIP3   OH229668   1.969   5.584   5.772 -0.1028 -0.0478 -0.4738
+ 9407TIP3    H129669   1.950   5.635   5.850  0.8465  0.2177 -0.4032
+ 9407TIP3    H229670   2.059   5.553   5.785  0.4965  0.9948 -1.9796
+ 9408TIP3   OH229671   0.633   6.742   0.174  0.4019 -0.1104 -0.0881
+ 9408TIP3    H129672   0.718   6.742   0.130  1.7768 -0.4749  2.4235
+ 9408TIP3    H229673   0.617   6.650   0.194 -1.0334 -0.1426 -1.3466
+ 9409TIP3   OH229674   0.467   0.142   5.391  0.5559 -0.1889 -0.2873
+ 9409TIP3    H129675   0.473   0.047   5.382  1.8826 -0.1628  0.1724
+ 9409TIP3    H229676   0.482   0.158   5.485 -1.1865  0.3719 -0.0869
+ 9410TIP3   OH229677   5.197   0.413   6.457 -0.4245 -0.6357 -0.8040
+ 9410TIP3    H129678   5.148   0.495   6.465  0.0864 -0.3507 -0.5686
+ 9410TIP3    H229679   5.171   0.378   6.372 -2.7973 -1.6578  0.2817
+ 9411TIP3   OH229680   0.634   3.141   3.755 -0.1414  0.6848 -0.1606
+ 9411TIP3    H129681   0.633   3.086   3.676 -0.5557  0.4884 -0.0164
+ 9411TIP3    H229682   0.673   3.224   3.725 -1.0460  0.9009 -0.7622
+ 9412TIP3   OH229683   3.117   2.003   0.219  0.1220 -0.0309  0.2809
+ 9412TIP3    H129684   3.177   2.078   0.213  0.3257 -0.3082 -1.4693
+ 9412TIP3    H229685   3.044   2.035   0.271 -0.3439  1.7786 -1.4251
+ 9413TIP3   OH229686   4.245   1.371   6.808  0.4821 -0.1756  0.4947
+ 9413TIP3    H129687   4.174   1.308   6.799 -0.5890  0.9680  0.7562
+ 9413TIP3    H229688   4.290   1.345   6.888  0.4339 -0.9694  0.2696
+ 9414TIP3   OH229689   2.610   6.446   6.583  0.3251  0.7911  0.2541
+ 9414TIP3    H129690   2.678   6.391   6.621  0.3934  1.0983  0.5783
+ 9414TIP3    H229691   2.568   6.489   6.658 -1.6782 -1.0491  0.2356
+ 9415TIP3   OH229692   2.685   0.172   3.790  0.1042  0.0560  1.2386
+ 9415TIP3    H129693   2.605   0.216   3.821  0.5269  0.9975  1.0068
+ 9415TIP3    H229694   2.654   0.091   3.751 -0.8996  1.1070 -0.1940
+ 9416TIP3   OH229695   0.809   6.826   5.700 -0.9581 -0.1007  0.0994
+ 9416TIP3    H129696   0.901   6.840   5.678 -0.7713  0.4393  1.1733
+ 9416TIP3    H229697   0.797   6.731   5.691 -0.5791 -0.0464 -1.0758
+ 9417TIP3   OH229698   3.409   6.343   0.519  0.6901  0.3025  0.0915
+ 9417TIP3    H129699   3.387   6.288   0.444  0.3756  0.4396  0.0827
+ 9417TIP3    H229700   3.505   6.342   0.522  0.7285  0.9032 -0.7748
+ 9418TIP3   OH229701   1.623   6.568   5.909 -0.0841 -0.6750  0.5730
+ 9418TIP3    H129702   1.701   6.610   5.945 -0.0890 -0.1910  0.0346
+ 9418TIP3    H229703   1.644   6.555   5.816 -0.2167 -1.5549  0.6594
+ 9419TIP3   OH229704   0.796   0.340   5.915 -0.0502  0.0967 -0.2049
+ 9419TIP3    H129705   0.843   0.261   5.887  1.0210  0.7102 -0.1620
+ 9419TIP3    H229706   0.752   0.370   5.836  1.0000  0.4502 -0.6762
+ 9420TIP3   OH229707   1.436   6.259   0.457  0.0414 -0.1837  0.6092
+ 9420TIP3    H129708   1.478   6.298   0.380 -2.5245 -0.4743 -0.9941
+ 9420TIP3    H229709   1.411   6.333   0.512 -0.5035  0.1715 -0.1175
+ 9421TIP3   OH229710   1.557   4.356   5.888 -0.5263  0.3502  0.0377
+ 9421TIP3    H129711   1.510   4.290   5.938  0.6257  1.7132  3.0522
+ 9421TIP3    H229712   1.509   4.437   5.905 -0.4833  0.7320 -1.6054
+ 9422TIP3   OH229713   1.630   4.402   0.243 -0.1362 -0.1136 -0.1239
+ 9422TIP3    H129714   1.683   4.373   0.169  0.7050 -1.3154  0.9293
+ 9422TIP3    H229715   1.550   4.349   0.238 -0.8629  1.0694 -1.1961
+ 9423TIP3   OH229716   0.626   6.324   6.599 -0.3155 -0.1858  0.5614
+ 9423TIP3    H129717   0.682   6.370   6.536 -0.0854 -0.6595  0.4178
+ 9423TIP3    H229718   0.539   6.361   6.584  0.0410  0.8995  1.1162
+ 9424TIP3   OH229719   6.684   5.090   6.261 -0.0795 -0.2335 -0.4569
+ 9424TIP3    H129720   6.639   5.078   6.177  1.4975  1.6700 -1.6375
+ 9424TIP3    H229721   6.659   5.015   6.313 -1.3841 -1.2814 -2.5289
+ 9425TIP3   OH229722   0.950   5.452   3.594 -0.1257  0.1673 -0.6650
+ 9425TIP3    H129723   0.974   5.456   3.686 -0.5101  0.7485 -0.5843
+ 9425TIP3    H229724   1.030   5.476   3.547  0.4490 -1.4855 -0.5394
+ 9426TIP3   OH229725   0.554   6.749   0.499 -0.1212 -0.8447  0.6353
+ 9426TIP3    H129726   0.624   6.711   0.446 -0.3441 -0.5267  0.1022
+ 9426TIP3    H229727   0.475   6.706   0.467 -0.5687  1.0851 -0.9918
+ 9427TIP3   OH229728   6.119   4.874   6.399 -0.2008  0.1787  0.1652
+ 9427TIP3    H129729   6.070   4.956   6.399 -2.5287 -1.1703 -0.9877
+ 9427TIP3    H229730   6.139   4.858   6.307  2.0659  0.4858  0.5812
+ 9428TIP3   OH229731   0.401   5.965   4.622 -0.7078  0.1767 -0.1813
+ 9428TIP3    H129732   0.313   5.933   4.639 -0.1200 -0.8898  1.0125
+ 9428TIP3    H229733   0.414   6.036   4.685  0.6932 -2.3376  2.4882
+ 9429TIP3   OH229734   5.843   6.691   1.147 -0.0296  0.2824 -0.2675
+ 9429TIP3    H129735   5.819   6.702   1.055 -2.3322 -0.6117  0.1955
+ 9429TIP3    H229736   5.764   6.658   1.189  1.2200 -0.0711  1.9021
+ 9430TIP3   OH229737   1.705   4.828   0.480 -0.4322 -0.8906  0.3769
+ 9430TIP3    H129738   1.732   4.920   0.475  1.5880 -1.4763  0.2897
+ 9430TIP3    H229739   1.781   4.779   0.451 -2.2502 -2.5157 -1.8185
+ 9431TIP3   OH229740   5.440   5.865   4.865 -0.0862  0.0494  0.3653
+ 9431TIP3    H129741   5.486   5.948   4.878  0.3023 -0.1514  0.3033
+ 9431TIP3    H229742   5.421   5.861   4.772 -0.0707  0.0553  0.3619
+ 9432TIP3   OH229743   1.782   6.304   1.782 -0.7924 -0.1869 -0.8387
+ 9432TIP3    H129744   1.838   6.373   1.746 -0.8914 -0.3182 -1.2452
+ 9432TIP3    H229745   1.843   6.242   1.823 -0.4845 -1.2994 -2.9060
+ 9433TIP3   OH229746   2.475   4.589   6.531 -0.1328  0.2585 -0.1735
+ 9433TIP3    H129747   2.549   4.555   6.581 -0.2626  0.1148 -0.0801
+ 9433TIP3    H229748   2.461   4.678   6.564 -1.7219 -0.6585  1.6938
+ 9434TIP3   OH229749   1.318   5.059   6.806  0.2577  0.0918 -0.2964
+ 9434TIP3    H129750   1.354   4.972   6.789 -0.2344 -0.0720 -0.4946
+ 9434TIP3    H229751   1.338   5.109   6.727  0.5942  0.1806 -0.1575
+ 9435TIP3   OH229752   2.141   6.547   0.467 -0.2745 -0.0899  0.9986
+ 9435TIP3    H129753   2.120   6.636   0.438 -0.1572 -0.3270  0.1637
+ 9435TIP3    H229754   2.190   6.509   0.394 -1.3565 -1.2456  0.8681
+ 9436TIP3   OH229755   1.565   4.030   5.017 -0.0510 -0.3012 -0.1999
+ 9436TIP3    H129756   1.622   4.045   4.941 -0.5028  1.1837 -0.2581
+ 9436TIP3    H229757   1.478   4.017   4.979 -0.3058  0.6093  0.0677
+ 9437TIP3   OH229758   2.940   1.331   0.795 -0.4874 -0.0777 -0.1854
+ 9437TIP3    H129759   2.989   1.402   0.751  1.6457 -1.7623 -0.6337
+ 9437TIP3    H229760   2.978   1.251   0.759 -3.2866 -1.4788 -0.1332
+ 9438TIP3   OH229761   3.894   5.380   0.574  0.3871 -0.0761  0.1423
+ 9438TIP3    H129762   3.836   5.445   0.613 -0.8879 -0.9458 -0.2768
+ 9438TIP3    H229763   3.979   5.394   0.617 -0.4041  0.4840  1.5331
+ 9439TIP3   OH229764   3.262   0.533   2.365  0.6332 -0.2745 -0.2475
+ 9439TIP3    H129765   3.325   0.596   2.330 -1.5747  0.0266 -3.8163
+ 9439TIP3    H229766   3.177   0.576   2.357 -0.4629 -2.0982  1.1411
+ 9440TIP3   OH229767   2.399   5.670   0.395 -0.2200 -0.1489  0.1238
+ 9440TIP3    H129768   2.338   5.668   0.321 -0.9508  1.3523  0.6555
+ 9440TIP3    H229769   2.485   5.679   0.355 -0.4079 -1.4566 -0.6102
+ 9441TIP3   OH229770   1.983   0.963   6.726  0.5907  0.1997  0.0894
+ 9441TIP3    H129771   1.901   1.009   6.706 -0.5004 -2.7988 -2.6419
+ 9441TIP3    H229772   1.974   0.940   6.819  0.0980  3.2400  0.8628
+ 9442TIP3   OH229773   2.422   0.438   1.206  0.8367  0.4935  0.1915
+ 9442TIP3    H129774   2.490   0.370   1.202  0.9660  0.6360 -0.0138
+ 9442TIP3    H229775   2.426   0.481   1.121  0.0916  0.1209 -0.0330
+ 9443TIP3   OH229776   4.972   5.706   1.801 -0.4093  0.1716  0.0283
+ 9443TIP3    H129777   4.997   5.737   1.888 -1.2270  0.3248  0.2118
+ 9443TIP3    H229778   4.935   5.783   1.758  1.4405  0.4950 -1.0298
+ 9444TIP3   OH229779   2.534   5.978   5.577 -0.3927 -0.0220 -0.4736
+ 9444TIP3    H129780   2.562   5.929   5.499 -1.0235 -0.1290 -0.6332
+ 9444TIP3    H229781   2.600   6.047   5.586  0.8368 -1.2526  0.1072
+ 9445TIP3   OH229782   3.876   0.452   0.603 -0.6115 -0.5448 -0.2547
+ 9445TIP3    H129783   3.870   0.389   0.675  0.8702 -0.7782 -0.3178
+ 9445TIP3    H229784   3.857   0.400   0.525 -1.4234 -0.4658 -0.1134
+ 9446TIP3   OH229785   4.618   5.823   2.427  0.1408  0.0942 -0.4330
+ 9446TIP3    H129786   4.610   5.915   2.452  1.7979 -0.2979  1.7089
+ 9446TIP3    H229787   4.537   5.803   2.380 -0.9724  2.1890  0.5579
+ 9447TIP3   OH229788   1.368   5.660   5.939 -0.1465  0.1347  0.1661
+ 9447TIP3    H129789   1.463   5.657   5.930 -0.0489  1.1014  0.8360
+ 9447TIP3    H229790   1.336   5.599   5.872  0.9648 -0.8006  0.4602
+ 9448TIP3   OH229791   3.980   6.194   2.849  0.1700  0.2962  0.1018
+ 9448TIP3    H129792   4.016   6.258   2.788  2.3873 -1.7232 -0.8205
+ 9448TIP3    H229793   4.053   6.172   2.907 -0.7772 -0.7551  0.9243
+ 9449TIP3   OH229794   2.313   4.852   5.211  0.0484  0.1104 -0.0515
+ 9449TIP3    H129795   2.325   4.846   5.306 -0.8375  0.5365  0.0885
+ 9449TIP3    H229796   2.309   4.761   5.181 -1.7432 -0.0374  0.5908
+ 9450TIP3   OH229797   1.482   2.522   0.004  0.6162  0.5763  0.0733
+ 9450TIP3    H129798   1.457   2.566   0.085 -0.9893 -0.3147  0.0904
+ 9450TIP3    H229799   1.415   2.548  -0.059  1.1437  0.2570 -0.6153
+ 9451TIP3   OH229800   0.674   0.648   1.810 -0.1221  0.4776 -0.2649
+ 9451TIP3    H129801   0.737   0.580   1.786 -0.2047  0.2420  0.1664
+ 9451TIP3    H229802   0.726   0.714   1.857 -0.3996 -0.3381  1.2397
+ 9452TIP3   OH229803   2.672   6.423   6.306 -0.4621  0.8240 -0.5801
+ 9452TIP3    H129804   2.643   6.443   6.395 -0.7174 -1.5998 -0.0956
+ 9452TIP3    H229805   2.761   6.460   6.301 -0.5195  1.1281  0.6070
+ 9453TIP3   OH229806   2.839   0.087   0.450 -0.0189 -0.0150 -0.0211
+ 9453TIP3    H129807   2.858  -0.003   0.426 -1.0666 -0.1059 -0.5256
+ 9453TIP3    H229808   2.743   0.091   0.455  0.0443  0.8987  0.6431
+ 9454TIP3   OH229809   3.283   5.638   0.776 -0.2645 -0.2025 -0.1423
+ 9454TIP3    H129810   3.312   5.574   0.841  2.7462  1.8824  0.6863
+ 9454TIP3    H229811   3.217   5.690   0.822 -0.4613 -0.7314  0.1821
+ 9455TIP3   OH229812   3.821   0.798   1.695 -0.3035 -0.0648  0.3478
+ 9455TIP3    H129813   3.804   0.758   1.610  1.0271  2.1067 -0.9660
+ 9455TIP3    H229814   3.914   0.817   1.695 -0.1294 -0.6937  2.6127
+ 9456TIP3   OH229815   1.890   6.817   1.594 -0.1135  0.5509 -0.4971
+ 9456TIP3    H129816   1.932   6.732   1.585 -1.7984 -0.2980 -0.5574
+ 9456TIP3    H229817   1.916   6.849   1.680 -0.6505 -0.6909  0.1348
+ 9457TIP3   OH229818   3.519   5.487  -0.001  0.3641 -0.1669  0.6775
+ 9457TIP3    H129819   3.504   5.441   0.082 -1.5162  0.3879  0.6875
+ 9457TIP3    H229820   3.614   5.494  -0.008  0.5746 -0.8323  2.4458
+ 9458TIP3   OH229821   2.786   4.154   1.627  0.5997 -0.0168 -0.1880
+ 9458TIP3    H129822   2.841   4.098   1.681  0.2684 -0.2541 -0.1023
+ 9458TIP3    H229823   2.717   4.184   1.685  0.7750  0.4781 -0.2343
+ 9459TIP3   OH229824   2.781   0.207   4.755  0.4309  0.7712  0.2418
+ 9459TIP3    H129825   2.827   0.278   4.799  0.5961  0.2760  0.8738
+ 9459TIP3    H229826   2.836   0.130   4.767  0.1972  0.5023 -0.3401
+ 9460TIP3   OH229827   3.223   6.898   1.605  0.0599  0.6843 -0.4032
+ 9460TIP3    H129828   3.155   6.895   1.537  0.7192 -1.1722 -1.0031
+ 9460TIP3    H229829   3.212   6.816   1.653 -1.3018  2.6082  2.6517
+ 9461TIP3   OH229830   1.956   5.944   4.796  0.0567  0.6308  0.0495
+ 9461TIP3    H129831   1.868   5.908   4.804 -0.0588  1.3168  2.5440
+ 9461TIP3    H229832   1.963   5.974   4.706 -2.1315  0.2121 -0.2731
+ 9462TIP3   OH229833   1.848   1.299   0.689  0.0784  0.0046  0.4854
+ 9462TIP3    H129834   1.764   1.327   0.726 -0.1573 -1.2524  0.9309
+ 9462TIP3    H229835   1.824   1.254   0.608  0.2987 -0.5835  0.7462
+ 9463TIP3   OH229836   1.903   5.380   1.029  0.6566  0.6045  0.2812
+ 9463TIP3    H129837   1.847   5.456   1.043 -1.9161 -0.9963 -1.0162
+ 9463TIP3    H229838   1.908   5.338   1.116  0.7374  1.3389  0.6353
+ 9464TIP3   OH229839   1.396   5.540   5.333 -0.0376 -0.3492  0.0498
+ 9464TIP3    H129840   1.379   5.620   5.283  0.2056 -1.0134 -1.1088
+ 9464TIP3    H229841   1.378   5.565   5.424  2.0855  1.6233 -0.0152
+ 9465TIP3   OH229842   4.831   0.027   0.983  0.0916 -0.1313 -0.1620
+ 9465TIP3    H129843   4.774   0.059   1.052 -0.0680 -1.5172  0.3619
+ 9465TIP3    H229844   4.792   0.060   0.902 -1.9348 -1.7577  0.1185
+ 9466TIP3   OH229845   0.951   5.001   4.452  0.4007 -0.3884 -0.2622
+ 9466TIP3    H129846   0.913   5.062   4.389 -0.7012 -1.1294 -0.3463
+ 9466TIP3    H229847   1.037   5.037   4.473 -0.6155  1.6749  0.4064
+ 9467TIP3   OH229848   1.692   1.552   1.296  0.2156 -0.5809  0.2631
+ 9467TIP3    H129849   1.773   1.514   1.263 -0.1805 -1.9255  0.8073
+ 9467TIP3    H229850   1.680   1.632   1.245  1.1182 -1.1397 -0.8394
+ 9468TIP3   OH229851   2.198   1.277   4.751  0.2056 -0.1414 -0.1920
+ 9468TIP3    H129852   2.168   1.281   4.842 -0.9381 -1.3515 -0.5062
+ 9468TIP3    H229853   2.121   1.299   4.699  0.4298 -1.0512 -0.9216
+ 9469TIP3   OH229854   1.809   6.132   6.164  0.6867  0.3973  0.5408
+ 9469TIP3    H129855   1.746   6.138   6.092 -0.8208 -0.0273  1.8058
+ 9469TIP3    H229856   1.879   6.076   6.130  0.1095  0.4098 -0.6900
+ 9470TIP3   OH229857   2.415   6.014   0.717 -0.2177  0.0840 -0.3726
+ 9470TIP3    H129858   2.381   5.984   0.802  1.5723  0.8788  0.6534
+ 9470TIP3    H229859   2.499   5.969   0.707  0.0772  0.7971 -1.2275
+ 9471TIP3   OH229860   1.969   6.060   3.949  0.6106  0.2368 -0.4206
+ 9471TIP3    H129861   1.995   6.141   3.991  0.2059  1.2034 -1.9924
+ 9471TIP3    H229862   2.025   6.053   3.872 -0.7545  0.1012 -1.4329
+ 9472TIP3   OH229863   6.139   4.783   0.719  0.4564  0.0778 -0.1320
+ 9472TIP3    H129864   6.085   4.817   0.648  0.7724  0.7240 -0.0684
+ 9472TIP3    H229865   6.150   4.858   0.778  0.6097 -0.3206  0.3394
+ 9473TIP3   OH229866   2.872   0.513   6.498  0.3931 -0.1683 -0.7407
+ 9473TIP3    H129867   2.853   0.471   6.581  0.8766  2.0813  0.5504
+ 9473TIP3    H229868   2.963   0.543   6.506  0.6187 -0.3698 -2.2771
+ 9474TIP3   OH229869   1.013   6.734   5.142 -0.1452 -0.0291 -0.0294
+ 9474TIP3    H129870   1.062   6.717   5.222  1.4228  0.9971 -0.7603
+ 9474TIP3    H229871   0.927   6.766   5.173 -0.4433 -2.0099  1.2424
+ 9475TIP3   OH229872   4.286   0.311   5.638  0.2037  0.2533 -0.3463
+ 9475TIP3    H129873   4.264   0.240   5.697 -0.6583 -0.5717 -1.6235
+ 9475TIP3    H229874   4.204   0.357   5.622  0.6540  1.2066  0.0486
+ 9476TIP3   OH229875   3.724   5.471   5.455 -0.2277  0.6854 -0.8796
+ 9476TIP3    H129876   3.704   5.563   5.438 -1.3693  0.5017 -0.5645
+ 9476TIP3    H229877   3.788   5.473   5.526 -1.3655  1.1856  0.1341
+ 9477TIP3   OH229878   5.568   2.461   4.488  0.1345 -0.2976  0.7482
+ 9477TIP3    H129879   5.652   2.507   4.483 -0.4066  0.6010 -0.5423
+ 9477TIP3    H229880   5.529   2.491   4.569  0.1987  0.8284  0.3777
+ 9478TIP3   OH229881   2.519  -0.018   6.202 -0.2814 -0.2239 -0.1056
+ 9478TIP3    H129882   2.506   0.069   6.240 -0.9412 -0.9587  1.4356
+ 9478TIP3    H229883   2.576  -0.004   6.127  0.3501  1.4208  0.6595
+ 9479TIP3   OH229884   3.046   6.506   5.124  0.7070  0.1243 -0.3157
+ 9479TIP3    H129885   3.141   6.510   5.127  0.7963 -1.7247 -0.4963
+ 9479TIP3    H229886   3.023   6.430   5.176 -0.5036 -1.1371 -2.5995
+ 9480TIP3   OH229887   3.093   6.458   0.077  0.3528  0.7933  0.2912
+ 9480TIP3    H129888   3.007   6.499   0.064 -0.7686 -1.7343 -0.7639
+ 9480TIP3    H229889   3.073   6.364   0.084  2.8826  0.3212  1.7243
+ 9481TIP3   OH229890   2.340   0.519   4.070  0.0496  0.0589  0.1841
+ 9481TIP3    H129891   2.333   0.614   4.071  2.8978  0.3080  0.1501
+ 9481TIP3    H229892   2.375   0.497   4.157  1.6136 -0.7262 -0.6214
+ 9482TIP3   OH229893   2.963   6.858   0.885 -0.2342  0.3505  0.3081
+ 9482TIP3    H129894   3.023   6.812   0.944 -1.1167  0.5703  1.3993
+ 9482TIP3    H229895   2.966   6.808   0.804  1.3068  0.2741  0.4041
+ 9483TIP3   OH229896   2.074   6.600   5.848 -0.1582  0.2543  0.3715
+ 9483TIP3    H129897   2.138   6.628   5.783  0.6589 -1.3495  0.4768
+ 9483TIP3    H229898   2.042   6.516   5.816  0.2100 -0.5275  1.9914
+ 9484TIP3   OH229899   2.692   1.317   0.271 -0.0151 -0.0750 -0.1050
+ 9484TIP3    H129900   2.773   1.306   0.320 -0.1325 -0.6131 -0.0245
+ 9484TIP3    H229901   2.691   1.243   0.210  0.4537  0.9572 -1.3891
+ 9485TIP3   OH229902   1.879   6.211   0.301  0.1585  0.3291 -0.1932
+ 9485TIP3    H129903   1.868   6.120   0.274  0.6428  0.1897  0.0769
+ 9485TIP3    H229904   1.955   6.210   0.360  0.2177  0.9179 -0.2522
+ 9486TIP3   OH229905   2.083   6.182   4.976  0.2042 -0.2295 -0.3564
+ 9486TIP3    H129906   2.035   6.154   4.898  0.1163 -0.1520 -0.3309
+ 9486TIP3    H229907   2.152   6.239   4.942 -0.3084  0.4221 -0.3121
+ 9487TIP3   OH229908   3.957   6.480   0.347  0.2659  0.0656 -0.7825
+ 9487TIP3    H129909   3.945   6.429   0.268  0.7841 -0.5319 -0.4832
+ 9487TIP3    H229910   3.951   6.417   0.419 -1.1001  0.7388 -0.2856
+ 9488TIP3   OH229911   3.046   6.591   4.635 -0.3793 -0.0716 -0.1857
+ 9488TIP3    H129912   3.141   6.577   4.628 -0.2503  0.2355  0.7973
+ 9488TIP3    H229913   3.031   6.672   4.587 -0.2075 -0.3493 -0.7124
+ 9489TIP3   OH229914   3.729   5.926   0.558  0.0644  0.3421  0.0132
+ 9489TIP3    H129915   3.800   5.863   0.557  1.2005  1.5823 -2.4141
+ 9489TIP3    H229916   3.749   5.987   0.487 -2.6947  1.5436  0.1594
+ 9490TIP3   OH229917   0.626   4.768   0.328 -0.3000 -0.2054 -0.0978
+ 9490TIP3    H129918   0.693   4.765   0.397  0.4710  1.4882 -0.7327
+ 9490TIP3    H229919   0.595   4.678   0.320 -0.0938 -0.4903  2.1551
+ 9491TIP3   OH229920   1.710   6.480   0.809 -0.1486  0.0689  0.0473
+ 9491TIP3    H129921   1.717   6.549   0.743  1.8325  0.1141  0.2947
+ 9491TIP3    H229922   1.671   6.523   0.885 -1.4567  0.2595 -0.7105
+ 9492TIP3   OH229923   4.199   0.950   3.906 -0.0126 -0.3231 -0.3208
+ 9492TIP3    H129924   4.176   0.889   3.976 -0.9247 -0.8113 -1.0314
+ 9492TIP3    H229925   4.271   0.908   3.860  0.4138 -0.1231  0.1642
+ 9493TIP3   OH229926   3.305   0.336   2.990  0.1795 -0.0586 -0.5009
+ 9493TIP3    H129927   3.367   0.378   3.050 -0.1861  1.0248 -0.8618
+ 9493TIP3    H229928   3.257   0.409   2.951 -0.3639 -0.8167 -1.2652
+ 9494TIP3   OH229929   0.406   6.493   4.926  0.2476 -0.2874 -0.6310
+ 9494TIP3    H129930   0.341   6.545   4.880  0.2318 -0.1289 -0.4309
+ 9494TIP3    H229931   0.354   6.429   4.977  0.2740 -0.6324 -1.0357
+ 9495TIP3   OH229932   1.236   4.795   5.271 -0.4155 -0.4464 -0.2452
+ 9495TIP3    H129933   1.153   4.827   5.237  0.0647  0.2733 -0.7748
+ 9495TIP3    H229934   1.287   4.773   5.193 -0.0856 -0.8127  0.0711
+ 9496TIP3   OH229935   3.928   6.735   0.493  0.0961 -0.0457  0.0176
+ 9496TIP3    H129936   3.943   6.707   0.583  2.1454 -0.0535 -0.2946
+ 9496TIP3    H229937   3.934   6.654   0.442  0.3771  0.1587 -0.2723
+ 9497TIP3   OH229938   4.026   6.255   5.742  0.1915  0.0600  0.2156
+ 9497TIP3    H129939   4.075   6.315   5.799 -0.5412  2.3433 -1.4724
+ 9497TIP3    H229940   4.091   6.219   5.683  0.9876 -2.4423  2.4983
+ 9498TIP3   OH229941   2.922   6.444   3.437 -0.3444 -0.2103 -0.0087
+ 9498TIP3    H129942   2.901   6.473   3.349 -1.1753 -0.6820  0.0296
+ 9498TIP3    H229943   2.914   6.523   3.491 -2.3948 -0.4497  0.0624
+ 9499TIP3   OH229944   1.713   0.339   5.416  0.1111  0.5091 -0.4412
+ 9499TIP3    H129945   1.627   0.297   5.428 -0.2385  1.1541 -0.6825
+ 9499TIP3    H229946   1.748   0.300   5.336 -1.1139  2.1748 -1.8214
+ 9500TIP3   OH229947   3.041   0.969   6.251 -0.5072  0.2632  0.5458
+ 9500TIP3    H129948   3.032   1.061   6.277  0.0577 -0.3974  3.2317
+ 9500TIP3    H229949   3.093   0.972   6.171  0.0269  2.2495  0.9347
+ 9501TIP3   OH229950   4.267   0.384   6.415 -0.0483 -0.0014  0.1259
+ 9501TIP3    H129951   4.328   0.436   6.363  0.5120 -1.5564 -0.8059
+ 9501TIP3    H229952   4.182   0.397   6.373 -0.3264  1.8605  1.1968
+ 9502TIP3   OH229953   4.647   0.167   1.175  0.4299 -0.2772 -0.1403
+ 9502TIP3    H129954   4.598   0.241   1.140 -1.0315 -0.1464  2.0652
+ 9502TIP3    H229955   4.602   0.090   1.141  0.9970 -0.1724 -1.1535
+ 9503TIP3   OH229956   3.817   0.145   1.313  0.2247  0.3153 -0.3172
+ 9503TIP3    H129957   3.884   0.141   1.382 -0.0145  0.6872 -0.0613
+ 9503TIP3    H229958   3.860   0.192   1.241  0.8170 -0.9651 -0.8146
+ 9504TIP3   OH229959   3.356   6.251   0.867  0.5935 -0.0559  0.5169
+ 9504TIP3    H129960   3.449   6.255   0.842  0.5092 -0.5172  0.1161
+ 9504TIP3    H229961   3.310   6.290   0.793  0.6069  2.2109  1.6474
+ 9505TIP3   OH229962   1.561   6.268   5.492  0.2387  0.0099  0.0838
+ 9505TIP3    H129963   1.533   6.198   5.434  1.6499  1.2939 -2.1969
+ 9505TIP3    H229964   1.519   6.248   5.576 -0.1888 -2.9662 -0.8036
+ 9506TIP3   OH229965   2.835   6.221   5.924  0.1112  0.6427  0.0732
+ 9506TIP3    H129966   2.792   6.137   5.915 -0.6032  0.8833  1.1773
+ 9506TIP3    H229967   2.776   6.273   5.979  2.3684  0.5190  2.7558
+ 9507TIP3   OH229968   3.785   0.220   4.781  0.1337 -0.3055  0.4965
+ 9507TIP3    H129969   3.831   0.268   4.711  0.1011 -1.9830 -0.6960
+ 9507TIP3    H229970   3.700   0.264   4.788 -0.8728 -1.6569 -2.2994
+ 9508TIP3   OH229971   2.846   6.700   0.349 -0.2016  0.8494 -0.0415
+ 9508TIP3    H129972   2.906   6.643   0.398 -0.2109  1.0864  0.2468
+ 9508TIP3    H229973   2.890   6.714   0.265 -0.2697  0.2970 -0.1740
+ 9509TIP3   OH229974   3.147   5.990   2.244  0.0454 -0.3287 -0.2742
+ 9509TIP3    H129975   3.170   5.931   2.316  2.8837  1.6937  0.5598
+ 9509TIP3    H229976   3.101   6.063   2.286 -0.2622 -0.2028 -0.8186
+ 9510TIP3   OH229977   0.124   1.115   3.817 -0.1921 -0.1040  0.0810
+ 9510TIP3    H129978   0.038   1.108   3.775  0.4772 -0.7437 -1.2065
+ 9510TIP3    H229979   0.150   1.024   3.834  1.6491 -0.0916 -2.4925
+ 9511TIP3   OH229980   3.014   4.231   6.903  0.1288  0.1247 -0.0323
+ 9511TIP3    H129981   3.038   4.217   6.811 -1.0216  0.1578 -0.3516
+ 9511TIP3    H229982   2.920   4.251   6.900 -0.2233 -1.2724  1.2822
+ 9512TIP3   OH229983   2.507   6.703   6.474  0.2159  0.3251  0.0435
+ 9512TIP3    H129984   2.576   6.641   6.451  0.7850  0.7147  0.6654
+ 9512TIP3    H229985   2.515   6.773   6.410  1.2470  0.9946  0.8764
+ 9513TIP3   OH229986   2.158   6.102   1.700  0.6654  0.1241 -0.0383
+ 9513TIP3    H129987   2.242   6.056   1.706  0.8612  0.6552  1.3317
+ 9513TIP3    H229988   2.135   6.095   1.607  0.2090 -3.5663  0.2535
+ 9514TIP3   OH229989   3.739   6.007   4.641 -0.4991  0.1749 -0.1725
+ 9514TIP3    H129990   3.676   5.940   4.668  0.6217 -0.9138 -0.1870
+ 9514TIP3    H229991   3.764   5.981   4.552  0.5662  0.1351  0.1348
+ 9515TIP3   OH229992   4.717   4.592   6.689  0.4854 -0.0754 -0.4642
+ 9515TIP3    H129993   4.764   4.550   6.617  1.0060  1.6441 -1.1527
+ 9515TIP3    H229994   4.663   4.523   6.726  0.6973 -1.1432 -2.1045
+ 9516TIP3   OH229995   2.261   5.872   6.355  0.1924 -0.2467  0.5648
+ 9516TIP3    H129996   2.345   5.895   6.395  0.0848 -1.4605  1.4975
+ 9516TIP3    H229997   2.197   5.887   6.424 -0.2463 -0.2766  0.1644
+ 9517TIP3   OH229998   1.262   5.341   6.027  0.5022 -0.0429  0.2622
+ 9517TIP3    H129999   1.171   5.323   6.048  0.1865  0.6254 -0.5131
+ 9517TIP3    H230000   1.262   5.361   5.933  1.0805  2.2046  0.7089
+ 9518TIP3   OH230001   5.074   4.797   0.640  0.1700  0.2798  0.5080
+ 9518TIP3    H130002   5.112   4.859   0.578 -2.3920  1.5326  0.1229
+ 9518TIP3    H230003   5.070   4.845   0.723 -1.4407  0.5141  0.3083
+ 9519TIP3   OH230004   6.003   5.426   4.318  0.1139  0.3607 -0.0165
+ 9519TIP3    H130005   6.094   5.417   4.291  0.6243  0.8525  1.4762
+ 9519TIP3    H230006   5.994   5.366   4.393 -0.4004  1.3543  0.7331
+ 9520TIP3   OH230007   4.032   6.170   6.531  0.1947 -0.4827 -0.1554
+ 9520TIP3    H130008   4.127   6.171   6.531  0.1933  0.6637  1.0317
+ 9520TIP3    H230009   4.007   6.205   6.445  0.8332 -0.5380 -0.3629
+ 9521TIP3   OH230010   4.279   3.098   0.551  0.0648  0.5073 -0.3432
+ 9521TIP3    H130011   4.241   3.108   0.464  0.6759 -1.3084 -0.8341
+ 9521TIP3    H230012   4.204   3.076   0.607 -0.1174  0.1975 -0.7033
+ 9522TIP3   OH230013   5.439   0.797   4.858  0.0474  0.3071 -0.7218
+ 9522TIP3    H130014   5.412   0.831   4.772 -1.2630  1.3355  0.0789
+ 9522TIP3    H230015   5.357   0.784   4.905  0.8116  0.8074  0.7790
+ 9523TIP3   OH230016   3.709   3.950   0.211  0.1166  0.6036  0.1442
+ 9523TIP3    H130017   3.698   3.911   0.297 -1.3638 -0.3870 -0.4555
+ 9523TIP3    H230018   3.770   3.892   0.165 -1.2297 -0.4223 -0.3781
+ 9524TIP3   OH230019   2.533   6.515   1.662 -0.2800 -0.7159 -0.1264
+ 9524TIP3    H130020   2.467   6.459   1.621  0.9195 -1.3939 -1.1646
+ 9524TIP3    H230021   2.613   6.462   1.661  0.3149  0.1344  1.0227
+ 9525TIP3   OH230022   3.287   6.176   4.575 -0.3652  0.2480 -0.5676
+ 9525TIP3    H130023   3.314   6.231   4.649  0.4241 -2.7189  1.4433
+ 9525TIP3    H230024   3.195   6.156   4.592 -0.3112 -0.0616 -0.6392
+ 9526TIP3   OH230025   4.610   4.957   0.884 -0.1212  0.0618  0.5190
+ 9526TIP3    H130026   4.597   5.025   0.950  1.4770 -0.1152  1.0357
+ 9526TIP3    H230027   4.598   5.002   0.800 -1.4372  0.4434  0.9065
+ 9527TIP3   OH230028   4.423   1.771   6.439 -0.0869 -0.1996  0.1194
+ 9527TIP3    H130029   4.487   1.791   6.507  0.5325  1.4804 -0.9133
+ 9527TIP3    H230030   4.340   1.762   6.485  0.5478 -0.3639  1.2432
+ 9528TIP3   OH230031   4.355   6.299   5.409 -0.3924  0.0445 -0.1328
+ 9528TIP3    H130032   4.348   6.388   5.374 -1.4417  0.4018  0.9255
+ 9528TIP3    H230033   4.354   6.242   5.333 -0.2340  0.9203 -0.7925
+ 9529TIP3   OH230034   2.847   0.644   5.989 -0.3122  0.5403 -0.0610
+ 9529TIP3    H130035   2.756   0.617   5.976  0.8074 -2.4717 -2.0402
+ 9529TIP3    H230036   2.875   0.598   6.068  0.0998 -0.1200 -0.5920
+ 9530TIP3   OH230037   4.099   6.124   0.386  0.3761 -0.1311 -0.8482
+ 9530TIP3    H130038   4.108   6.036   0.350 -0.1827 -0.7311  0.4370
+ 9530TIP3    H230039   4.154   6.179   0.330  0.6177 -1.2694 -1.7450
+ 9531TIP3   OH230040   6.597   0.147   3.990 -0.4086  0.3855  0.4005
+ 9531TIP3    H130041   6.660   0.130   3.920  0.6125 -0.1286  1.4338
+ 9531TIP3    H230042   6.540   0.216   3.955 -0.5380 -0.5691 -1.3117
+ 9532TIP3   OH230043   4.848   1.079   4.845 -0.0505 -0.6884 -0.1217
+ 9532TIP3    H130044   4.788   1.103   4.916  1.1869  1.0957  0.3334
+ 9532TIP3    H230045   4.897   1.004   4.880  1.2137  0.7646  1.3010
+ 9533TIP3   OH230046   3.295   6.207   0.301  0.6375 -0.0056 -0.2572
+ 9533TIP3    H130047   3.292   6.183   0.208  0.7611 -1.8882  0.2126
+ 9533TIP3    H230048   3.334   6.131   0.344  0.8198  0.9658  1.3044
+ 9534TIP3   OH230049   5.088   0.841   6.204 -0.0951 -0.1106 -0.0424
+ 9534TIP3    H130050   5.084   0.933   6.230  0.1783 -0.2353  0.4534
+ 9534TIP3    H230051   5.171   0.810   6.240  2.2162  0.6811 -4.3430
+ 9535TIP3   OH230052   4.861   6.293   5.890 -0.0891  0.0146 -0.5221
+ 9535TIP3    H130053   4.806   6.363   5.926 -1.3059  1.0627 -4.1585
+ 9535TIP3    H230054   4.800   6.239   5.839  1.3300 -2.0788 -0.0421
+ 9536TIP3   OH230055   2.574   5.824   5.830 -0.3592  0.6002  0.3481
+ 9536TIP3    H130056   2.577   5.858   5.740 -0.5081  0.6671  0.3680
+ 9536TIP3    H230057   2.578   5.903   5.885 -1.4035  0.6288  0.3890
+ 9537TIP3   OH230058   1.524   3.025   5.826 -0.0627  0.5511  0.3934
+ 9537TIP3    H130059   1.543   2.932   5.813 -1.9283  0.0283  1.2380
+ 9537TIP3    H230060   1.533   3.038   5.920  1.1354  1.4524  0.1595
+ 9538TIP3   OH230061   4.031   0.530   5.760 -0.6389  0.3569 -0.8038
+ 9538TIP3    H130062   4.044   0.624   5.774  0.3646  0.1936 -0.6108
+ 9538TIP3    H230063   3.936   0.520   5.750 -1.0251  1.0417  1.8640
+ 9539TIP3   OH230064   5.167   4.328   1.431 -0.2698 -0.4047  0.3393
+ 9539TIP3    H130065   5.191   4.239   1.406  1.3322 -0.0056  0.3510
+ 9539TIP3    H230066   5.156   4.374   1.348 -1.2571 -0.6384  0.3312
+ 9540TIP3   OH230067   4.142   5.499   1.253 -0.2660  0.0193 -0.3778
+ 9540TIP3    H130068   4.145   5.404   1.246  2.4500 -0.0291  0.7809
+ 9540TIP3    H230069   4.209   5.530   1.191 -1.6493  1.2299 -1.3119
+ 9541TIP3   OH230070   3.592   5.639   5.735 -0.0237  0.2482 -0.0803
+ 9541TIP3    H130071   3.656   5.568   5.740 -2.0372 -1.6398 -0.1604
+ 9541TIP3    H230072   3.521   5.611   5.793 -0.8884  2.1790 -0.1742
+ 9542TIP3   OH230073   4.778   0.480   4.061 -0.7663  0.2225 -0.2090
+ 9542TIP3    H130074   4.714   0.482   3.990 -2.0659 -1.2266  0.8825
+ 9542TIP3    H230075   4.783   0.571   4.092  0.1357  0.9479 -2.3914
+ 9543TIP3   OH230076   6.346   5.628   6.004  0.5716  0.0699 -0.1630
+ 9543TIP3    H130077   6.393   5.555   5.963 -1.4593 -1.1663 -0.3261
+ 9543TIP3    H230078   6.269   5.641   5.949 -0.9375 -0.0083  1.8824
+ 9544TIP3   OH230079   5.019   5.547   0.931  0.1214 -0.1846  0.0532
+ 9544TIP3    H130080   4.947   5.610   0.944 -0.0104  0.4296 -3.3240
+ 9544TIP3    H230081   5.001   5.507   0.846  3.1620 -0.8536 -0.3238
+ 9545TIP3   OH230082   4.441   5.487   6.145  0.2693 -0.2049 -0.2913
+ 9545TIP3    H130083   4.414   5.579   6.140  0.8479 -0.0691 -0.9622
+ 9545TIP3    H230084   4.365   5.438   6.114  0.6142  0.1506 -1.7096
+ 9546TIP3   OH230085   4.364   6.383   6.085  0.4834  0.5307  0.2281
+ 9546TIP3    H130086   4.346   6.413   6.174  1.4735  1.1984  0.2091
+ 9546TIP3    H230087   4.288   6.328   6.063  0.0181  0.7157  1.3096
+ 9547TIP3   OH230088   4.861   4.435   6.503  0.4636 -0.0660 -0.3295
+ 9547TIP3    H130089   4.948   4.464   6.531 -0.6963  0.9659  2.3413
+ 9547TIP3    H230090   4.871   4.341   6.486  1.9997 -0.0356  0.3272
+ 9548TIP3   OH230091   5.309   6.310   0.913 -0.4480 -0.3286 -0.2986
+ 9548TIP3    H130092   5.361   6.360   0.975 -0.4345 -0.4491 -0.2137
+ 9548TIP3    H230093   5.316   6.219   0.943 -0.3374 -0.4031 -0.5474
+ 9549TIP3   OH230094   6.528   4.482   6.620 -0.1247  0.2614 -0.1979
+ 9549TIP3    H130095   6.592   4.522   6.679  0.9117  0.3600 -1.3624
+ 9549TIP3    H230096   6.534   4.388   6.638  1.6222  0.0939 -1.5114
+ 9550TIP3   OH230097   4.587   4.229   6.005 -0.1860  0.2988  0.2443
+ 9550TIP3    H130098   4.573   4.305   5.948 -1.3703 -1.1453 -1.4468
+ 9550TIP3    H230099   4.605   4.267   6.091 -1.1471  2.4944 -0.4763
+ 9551TIP3   OH230100   3.863   6.314   0.154  0.2055 -0.3088  0.6302
+ 9551TIP3    H130101   3.921   6.258   0.102  0.3770  0.6778 -0.2667
+ 9551TIP3    H230102   3.784   6.262   0.165  0.6661 -1.0492  0.5044
+ 9552TIP3   OH230103   5.981   6.572   5.517 -0.2072  0.9478 -0.1117
+ 9552TIP3    H130104   6.070   6.606   5.526 -0.1933  0.6606  0.8493
+ 9552TIP3    H230105   5.929   6.648   5.490  0.5598  0.8248 -2.0074
+ 9553TIP3   OH230106   3.385   0.457   6.499 -0.0233 -0.1800  0.1905
+ 9553TIP3    H130107   3.350   0.387   6.443 -1.8712  0.2104  0.7956
+ 9553TIP3    H230108   3.310   0.484   6.552  1.0187  1.3317  0.9306
+ 9554TIP3   OH230109   6.222   0.159   6.393  0.2804  0.0500 -0.0479
+ 9554TIP3    H130110   6.291   0.159   6.460 -0.9185 -0.4494  1.1967
+ 9554TIP3    H230111   6.145   0.194   6.438 -0.7424 -1.0244 -0.9393
+ 9555TIP3   OH230112   6.830   3.465   6.203  0.0078 -0.2427  0.3059
+ 9555TIP3    H130113   6.847   3.482   6.110 -2.5164 -1.8652 -0.4909
+ 9555TIP3    H230114   6.897   3.402   6.228  1.0120  0.5752 -0.2806
+ 9556TIP3   OH230115   3.616   6.151   0.088  0.0763  0.5775  0.4799
+ 9556TIP3    H130116   3.565   6.229   0.066 -0.1779  0.1819 -0.3554
+ 9556TIP3    H230117   3.593   6.088   0.020  1.5099  0.3188  0.2221
+ 9557TIP3   OH230118   5.165   6.145   4.688  0.3470 -0.5650 -0.3796
+ 9557TIP3    H130119   5.146   6.099   4.770  0.6744 -2.3001 -1.2582
+ 9557TIP3    H230120   5.092   6.206   4.678 -1.9881 -3.3473 -0.9626
+ 9558TIP3   OH230121   0.183   4.659   1.633  0.0451 -0.1324 -0.2515
+ 9558TIP3    H130122   0.203   4.631   1.723 -2.2349 -0.0766  0.3016
+ 9558TIP3    H230123   0.114   4.724   1.644  0.2432  0.3947 -2.0259
+ 9559TIP3   OH230124   4.117   4.618   6.578 -0.2197  0.0459 -0.2793
+ 9559TIP3    H130125   4.034   4.662   6.600 -0.8928 -1.3569  0.0310
+ 9559TIP3    H230126   4.138   4.650   6.491 -1.7763 -0.5659 -0.8965
+ 9560TIP3   OH230127   3.322   5.857   6.698  0.5350  0.6154  0.1235
+ 9560TIP3    H130128   3.251   5.916   6.673  1.4752  0.9194 -1.8836
+ 9560TIP3    H230129   3.329   5.795   6.625  1.0176 -0.6486  1.2190
+ 9561TIP3   OH230130   3.489   6.757   4.713  0.1763  0.4187 -0.2748
+ 9561TIP3    H130131   3.481   6.850   4.693  0.2535  0.8840  1.6779
+ 9561TIP3    H230132   3.582   6.745   4.730  0.0926  0.0991 -0.0500
+ 9562TIP3   OH230133   5.377   1.206   5.167  0.4153 -0.3354  0.1323
+ 9562TIP3    H130134   5.422   1.193   5.250  1.2055 -1.4067 -0.4606
+ 9562TIP3    H230135   5.442   1.185   5.100 -0.9383 -1.9131 -0.7389
+ 9563TIP3   OH230136   1.844   0.760   3.661  0.1944  0.4305  0.2218
+ 9563TIP3    H130137   1.924   0.804   3.689  0.4523  0.7374 -0.9799
+ 9563TIP3    H230138   1.782   0.777   3.732  0.8937  1.0420  0.6967
+ 9564TIP3   OH230139   4.833   3.321   6.804 -0.3500 -1.1480  0.3393
+ 9564TIP3    H130140   4.880   3.298   6.884 -0.6086 -0.8383  0.5772
+ 9564TIP3    H230141   4.865   3.409   6.782 -0.3180 -1.2114  0.1316
+ 9565TIP3   OH230142   3.551   5.604   0.517 -0.3842 -0.9466 -0.2003
+ 9565TIP3    H130143   3.477   5.618   0.459 -0.7303  0.1984  0.5075
+ 9565TIP3    H230144   3.586   5.519   0.492 -1.4644 -1.1377 -1.0540
+ 9566TIP3   OH230145   6.723   1.211   6.135  0.1103  0.6187  0.2101
+ 9566TIP3    H130146   6.789   1.143   6.120 -0.9642  0.0833 -2.3869
+ 9566TIP3    H230147   6.651   1.188   6.076 -2.1741  1.5285  2.5331
+ 9567TIP3   OH230148   2.576   0.567   6.700  0.2552 -0.1388  0.2390
+ 9567TIP3    H130149   2.586   0.599   6.610 -0.7460  0.7194  0.4259
+ 9567TIP3    H230150   2.574   0.646   6.754  0.5470 -0.6377  0.9918
+ 9568TIP3   OH230151   4.720   0.815   5.824  0.0636  0.0589  0.0408
+ 9568TIP3    H130152   4.751   0.827   5.734 -0.7279 -2.5848 -0.6310
+ 9568TIP3    H230153   4.750   0.893   5.870  4.8439 -0.7635 -1.3428
+ 9569TIP3   OH230154   2.558   5.349   0.618  0.0395  0.0007 -0.5006
+ 9569TIP3    H130155   2.472   5.335   0.580 -0.7679  0.2059  1.2026
+ 9569TIP3    H230156   2.608   5.270   0.594 -1.1117 -0.8410 -0.1723
+ 9570TIP3   OH230157   3.209   0.990   6.675  0.6168 -0.0149 -0.4613
+ 9570TIP3    H130158   3.188   0.905   6.635 -0.8211 -0.1162  0.5003
+ 9570TIP3    H230159   3.148   1.052   6.634 -0.4884 -0.0187  1.1418
+ 9571TIP3   OH230160   5.092   5.982   6.213 -0.3051  0.0811 -0.5519
+ 9571TIP3    H130161   5.086   6.002   6.306  0.0069 -1.9571 -0.0603
+ 9571TIP3    H230162   5.054   5.894   6.205  2.5830 -1.1086 -1.8389
+ 9572TIP3   OH230163   5.123   0.520   5.360  0.2031  0.6689  0.2550
+ 9572TIP3    H130164   5.185   0.507   5.288  0.6786  0.3937  0.7151
+ 9572TIP3    H230165   5.140   0.447   5.420  0.4659  1.4284  1.1171
+ 9573TIP3   OH230166   5.455   0.139   5.623 -0.1735  0.1925  0.0571
+ 9573TIP3    H130167   5.383   0.190   5.660 -0.3923 -0.5444  0.6348
+ 9573TIP3    H230168   5.426   0.118   5.534 -0.2323  0.7687 -0.0624
+ 9574TIP3   OH230169   3.491   5.221   6.221 -0.4191 -0.0930 -0.2819
+ 9574TIP3    H130170   3.551   5.188   6.154  1.4016  1.4596  0.5224
+ 9574TIP3    H230171   3.511   5.168   6.299  0.2055  0.6816  0.0933
+ 9575TIP3   OH230172   4.642   3.551   0.670 -0.4507  0.4302  0.4263
+ 9575TIP3    H130173   4.560   3.503   0.680  0.6483 -1.6951 -0.3706
+ 9575TIP3    H230174   4.710   3.488   0.696  0.9976  1.6965 -0.2269
+ 9576TIP3   OH230175   4.060   0.855   5.782 -0.5673 -0.5067 -0.4714
+ 9576TIP3    H130176   4.144   0.875   5.742 -0.1464 -2.1581 -0.4430
+ 9576TIP3    H230177   3.995   0.881   5.716  0.1223 -3.4058 -2.4022
+ 9577TIP3   OH230178   4.877   6.596   2.298 -0.6656  0.2626  0.0867
+ 9577TIP3    H130179   4.858   6.517   2.248  1.1863  0.7167 -1.3898
+ 9577TIP3    H230180   4.930   6.565   2.372 -1.5211 -0.1121  0.5490
+ 9578TIP3   OH230181   4.170   5.105   5.034  0.0531 -0.4719  1.0049
+ 9578TIP3    H130182   4.149   5.101   5.127 -1.4594  1.0646  0.7524
+ 9578TIP3    H230183   4.230   5.031   5.020 -0.2635 -1.1539  3.0327
+ 9579TIP3   OH230184   4.114   0.319   5.944 -0.2339 -0.1077  0.3462
+ 9579TIP3    H130185   4.146   0.246   5.890  1.2539  0.1081  0.9174
+ 9579TIP3    H230186   4.047   0.360   5.889  0.3940 -0.6277 -0.8536
+ 9580TIP3   OH230187   3.901   5.160   0.895  0.5296  0.1322 -0.1491
+ 9580TIP3    H130188   3.931   5.247   0.866 -1.5550  0.5875 -1.0602
+ 9580TIP3    H230189   3.913   5.161   0.990  2.9880  0.4242 -0.4265
+ 9581TIP3   OH230190   4.140   4.936   0.167  0.3346  0.3190  0.2637
+ 9581TIP3    H130191   4.053   4.897   0.161 -0.1435  1.4492 -0.3232
+ 9581TIP3    H230192   4.156   4.944   0.262  0.2047 -0.7498  0.3823
+ 9582TIP3   OH230193   4.108   0.823   5.273 -0.0630 -0.2575  0.2505
+ 9582TIP3    H130194   4.041   0.764   5.309 -0.0171 -0.2990  0.2695
+ 9582TIP3    H230195   4.190   0.775   5.283 -0.3690 -1.3306 -2.2780
+ 9583TIP3   OH230196   5.899   4.747   6.534 -0.5891 -0.6359  0.6453
+ 9583TIP3    H130197   5.859   4.727   6.449 -3.7739  0.8530  1.7145
+ 9583TIP3    H230198   5.978   4.796   6.512 -1.5070 -0.0298 -1.4828
+ 9584TIP3   OH230199   3.910   4.798   6.590  0.0631 -0.1161 -0.2529
+ 9584TIP3    H130200   3.937   4.816   6.500  1.3067  0.0977  0.1588
+ 9584TIP3    H230201   3.909   4.884   6.632  0.4670 -0.3363  0.2039
+ 9585TIP3   OH230202   5.525   1.095   1.048 -0.3665  0.8451  0.0408
+ 9585TIP3    H130203   5.443   1.059   1.013 -0.3731  1.7587 -0.9215
+ 9585TIP3    H230204   5.500   1.131   1.133 -0.4724 -0.9017  0.7656
+ 9586TIP3   OH230205   5.940   5.195   0.643 -0.1890 -0.1700  0.2380
+ 9586TIP3    H130206   5.951   5.289   0.660 -1.1927  0.0863 -0.5226
+ 9586TIP3    H230207   5.846   5.183   0.633 -0.3557 -1.7525  3.0456
+ 9587TIP3   OH230208   4.313   6.398   1.585 -0.1461 -0.5117  0.8282
+ 9587TIP3    H130209   4.402   6.394   1.620 -1.0974  0.0552  3.3984
+ 9587TIP3    H230210   4.300   6.491   1.564  0.0424 -0.6737 -0.0032
+ 9588TIP3   OH230211   2.419   0.263   2.618 -0.2818 -0.1346  0.0941
+ 9588TIP3    H130212   2.324   0.256   2.630 -0.3420 -0.4752 -0.5741
+ 9588TIP3    H230213   2.429   0.316   2.539  0.0981  0.6039  0.6254
+ 9589TIP3   OH230214   5.122   5.769   5.558 -0.5133  0.4364 -0.4993
+ 9589TIP3    H130215   5.190   5.727   5.505 -1.9512 -1.6341 -0.7640
+ 9589TIP3    H230216   5.143   5.744   5.648 -0.7465  0.0700 -0.5480
+ 9590TIP3   OH230217   6.004   6.724   6.631 -0.2082  0.1734 -0.0970
+ 9590TIP3    H130218   6.009   6.770   6.715 -2.0873  1.1235 -0.4840
+ 9590TIP3    H230219   6.095   6.718   6.602  0.4104  0.3320  1.7381
+ 9591TIP3   OH230220   5.238   1.551   0.025 -0.4018  0.2905 -0.1277
+ 9591TIP3    H130221   5.225   1.645   0.013 -1.8549  0.2747  1.2471
+ 9591TIP3    H230222   5.331   1.536   0.003 -0.5183  1.7957 -1.7157
+ 9592TIP3   OH230223   5.382   4.675   6.329  0.5804  0.0904  0.2066
+ 9592TIP3    H130224   5.381   4.592   6.375 -0.5018 -0.8779 -1.5222
+ 9592TIP3    H230225   5.456   4.668   6.268  3.3852  2.2011  3.1873
+ 9593TIP3   OH230226   6.219   4.227   6.561  0.2367 -0.0883 -0.2359
+ 9593TIP3    H130227   6.250   4.138   6.573 -1.9980 -0.9336 -0.4053
+ 9593TIP3    H230228   6.213   4.238   6.466  0.6574  0.2998 -0.2184
+ 9594TIP3   OH230229   4.945   0.616   0.012 -0.3583 -0.0076  0.7442
+ 9594TIP3    H130230   4.920   0.618   0.104  0.6922  1.0438  1.0143
+ 9594TIP3    H230231   4.873   0.659  -0.033 -1.5545 -1.7933  0.8864
+ 9595TIP3   OH230232   5.125   6.035   4.398 -0.0740 -0.1754  0.1499
+ 9595TIP3    H130233   5.081   6.113   4.364  1.1639  0.2100 -0.6098
+ 9595TIP3    H230234   5.142   6.054   4.490 -0.8111 -0.0283  0.2569
+ 9596TIP3   OH230235   3.950   4.831   5.423 -0.4676  0.5529 -0.4483
+ 9596TIP3    H130236   3.985   4.907   5.377  0.9250  0.8620  1.0816
+ 9596TIP3    H230237   4.001   4.757   5.390  1.1264  0.8898  1.1694
+ 9597TIP3   OH230238   5.433   4.621   0.878 -0.0177 -0.1115 -0.1273
+ 9597TIP3    H130239   5.383   4.578   0.947 -1.7213  0.1214 -1.1797
+ 9597TIP3    H230240   5.393   4.591   0.796  0.3548  1.5103 -0.9394
+ 9598TIP3   OH230241   4.732   3.595   1.000  0.0531 -0.3851 -0.2237
+ 9598TIP3    H130242   4.754   3.665   1.062  2.8381 -0.2784 -1.2823
+ 9598TIP3    H230243   4.639   3.608   0.982 -0.2840  0.9586  2.1883
+ 9599TIP3   OH230244   6.401   0.896   5.530  0.0728 -0.6897 -0.4562
+ 9599TIP3    H130245   6.322   0.916   5.479 -0.7236 -4.3116 -0.7802
+ 9599TIP3    H230246   6.369   0.840   5.601  2.1802 -1.1609  0.1422
+ 9600TIP3   OH230247   2.588   6.748   5.330 -0.6484 -0.7767 -0.0777
+ 9600TIP3    H130248   2.662   6.737   5.389 -0.9510 -3.1581 -0.1297
+ 9600TIP3    H230249   2.623   6.802   5.259  0.2425  0.4800  1.2762
+ 9601TIP3   OH230250   4.634   4.946   5.826  0.9757 -0.1635 -0.3296
+ 9601TIP3    H130251   4.628   4.959   5.732  1.0861  1.6465 -0.1067
+ 9601TIP3    H230252   4.720   4.908   5.840  1.3249  0.4252 -0.8780
+ 9602TIP3   OH230253   5.297   0.556   5.103  0.0174 -0.5092 -0.3385
+ 9602TIP3    H130254   5.265   0.563   5.013  0.4045  0.4371 -0.4078
+ 9602TIP3    H230255   5.295   0.645   5.137  1.3437 -0.6217  0.0792
+ 9603TIP3   OH230256   3.303   0.261   6.012  0.2815  0.3710  0.1983
+ 9603TIP3    H130257   3.391   0.286   6.041  0.7080 -0.4699 -0.3634
+ 9603TIP3    H230258   3.267   0.341   5.973  0.4258  0.9816  1.2732
+ 9604TIP3   OH230259   5.954   3.379   5.908  0.1123  0.1200 -0.1375
+ 9604TIP3    H130260   5.899   3.440   5.859 -0.0109  1.0746  1.1630
+ 9604TIP3    H230261   5.909   3.295   5.900 -1.4859  0.8724  0.8169
+ 9605TIP3   OH230262   3.310   3.650   5.528  0.1021  0.0100  0.3933
+ 9605TIP3    H130263   3.328   3.657   5.622 -0.0632  2.1536  0.2925
+ 9605TIP3    H230264   3.224   3.691   5.517  0.4725  0.4793 -0.7944
+ 9606TIP3   OH230265   4.926   4.919   5.249  0.7229 -0.0530  0.4650
+ 9606TIP3    H130266   4.970   4.854   5.193  0.2450  0.5477 -0.6372
+ 9606TIP3    H230267   4.932   4.883   5.337  2.2816 -0.6021  0.1522
+ 9607TIP3   OH230268   1.739   5.081   1.185  0.4140 -0.3694  0.0251
+ 9607TIP3    H130269   1.695   5.148   1.132  3.8825  1.2581 -0.9322
+ 9607TIP3    H230270   1.773   5.019   1.121  0.4552 -1.0410  0.6927
+ 9608TIP3   OH230271   5.240   5.016   5.622  0.4018  0.1428  0.2101
+ 9608TIP3    H130272   5.311   5.067   5.661  1.8225 -0.6762 -1.2424
+ 9608TIP3    H230273   5.268   4.925   5.629 -1.5129 -0.3684  1.5669
+ 9609TIP3   OH230274   5.198   4.893   6.319 -0.3897 -0.7751 -0.1535
+ 9609TIP3    H130275   5.259   4.821   6.335 -0.7404 -0.1737  4.4551
+ 9609TIP3    H230276   5.117   4.849   6.292 -0.1150 -2.0186  0.9939
+ 9610TIP3   OH230277   6.679   1.081   0.987  0.0442  0.2273  0.5737
+ 9610TIP3    H130278   6.622   1.144   1.031  1.5382  1.8311  0.2632
+ 9610TIP3    H230279   6.755   1.073   1.045 -0.0233 -1.1429  0.5014
+ 9611TIP3   OH230280   6.576   6.414   0.035 -0.6342 -0.1156  0.1538
+ 9611TIP3    H130281   6.546   6.364   0.110  0.0682 -0.1535  0.4171
+ 9611TIP3    H230282   6.656   6.457   0.065 -1.1072  0.9795 -0.1451
+ 9612TIP3   OH230283   6.133   5.622   5.851  0.1980  0.1406 -0.3415
+ 9612TIP3    H130284   6.158   5.692   5.791  1.1983  1.1416  1.2154
+ 9612TIP3    H230285   6.049   5.649   5.886 -0.1882 -0.2415 -0.9626
+ 9613TIP3   OH230286   5.464   5.647   0.094  0.3026  0.3622 -0.4438
+ 9613TIP3    H130287   5.427   5.559   0.093 -1.0141  0.8931  0.5149
+ 9613TIP3    H230288   5.513   5.651   0.177  0.1409  0.6263 -0.3614
+ 9614TIP3   OH230289   6.263   6.482   6.458  0.4047  0.2251 -0.3780
+ 9614TIP3    H130290   6.216   6.415   6.408 -0.5838 -0.6827  1.6994
+ 9614TIP3    H230291   6.228   6.474   6.547  0.5790  3.2189  0.0019
+ 9615TIP3   OH230292   6.567   5.032   0.602  0.1671  0.1541 -0.6350
+ 9615TIP3    H130293   6.644   5.075   0.565  0.5634 -0.6344 -0.7350
+ 9615TIP3    H230294   6.590   4.939   0.603 -0.6971 -0.0576 -0.4546
+ 9616TIP3   OH230295   0.107   4.070   1.779  0.6940  0.2270  0.0900
+ 9616TIP3    H130296   0.074   4.060   1.689  2.4093  2.6602 -0.8487
+ 9616TIP3    H230297   0.046   4.132   1.820  0.2681 -0.4081  0.4200
+ 9617TIP3   OH230298   5.613   5.781   1.160  0.5302  0.4300  0.0740
+ 9617TIP3    H130299   5.566   5.701   1.184 -3.7757  2.1465 -2.0569
+ 9617TIP3    H230300   5.611   5.834   1.240  0.0096 -0.0848  0.4062
+ 9618TIP3   OH230301   5.736   0.024   5.612 -0.0049 -0.7128 -0.0862
+ 9618TIP3    H130302   5.770  -0.016   5.692  1.0987 -1.2951 -0.8418
+ 9618TIP3    H230303   5.652   0.063   5.638  0.1767 -1.2221  1.2609
+ 9619TIP3   OH230304   5.979   5.547   5.613  0.4254 -0.3081  0.1156
+ 9619TIP3    H130305   6.063   5.518   5.649  0.8492 -2.8970 -2.7565
+ 9619TIP3    H230306   5.915   5.485   5.649  0.4887 -1.3749 -1.5916
+ 9620TIP3   OH230307   5.927   0.474   2.027 -0.3658  0.4871  0.1345
+ 9620TIP3    H130308   5.891   0.528   2.097 -0.3714  0.7738 -0.0869
+ 9620TIP3    H230309   6.021   0.491   2.030 -0.2048 -0.4834  0.9013
+ 9621TIP3   OH230310   3.977   5.867   3.737  0.2075 -0.1547 -0.3201
+ 9621TIP3    H130311   4.021   5.878   3.822  0.3787 -2.0279 -0.1569
+ 9621TIP3    H230312   3.889   5.903   3.752  0.3537 -0.1251  0.5363
+ 9622TIP3   OH230313   0.171   5.963   1.927  0.0014  0.2332 -0.2289
+ 9622TIP3    H130314   0.082   5.929   1.940  0.3490 -0.2865  0.8206
+ 9622TIP3    H230315   0.173   5.989   1.835 -0.8586 -0.9211 -0.5922
+ 9623TIP3   OH230316   6.490   1.470   5.980  0.2182  0.4196 -0.1521
+ 9623TIP3    H130317   6.434   1.434   6.050  1.9658 -1.1980  0.4542
+ 9623TIP3    H230318   6.447   1.443   5.899 -1.0362  1.0482  0.2877
+ 9624TIP3   OH230319   1.870   3.898   5.997  0.0932  0.2269 -0.2237
+ 9624TIP3    H130320   1.910   3.968   5.946  2.1527  0.7362  1.9794
+ 9624TIP3    H230321   1.917   3.819   5.971  1.0244  0.4586  0.7284
+ 9625TIP3   OH230322   4.772   1.574   4.802  0.5329 -0.0581 -0.1312
+ 9625TIP3    H130323   4.826   1.579   4.723  1.8243  0.4837  0.7689
+ 9625TIP3    H230324   4.690   1.533   4.772  1.8501 -1.9536 -1.3046
+ 9626TIP3   OH230325   3.678   4.836   5.355 -0.4029 -0.1580 -0.2795
+ 9626TIP3    H130326   3.684   4.752   5.310 -1.5879 -0.6690  0.4853
+ 9626TIP3    H230327   3.767   4.855   5.383 -0.2816 -1.6519  0.4105
+ 9627TIP3   OH230328   0.114   4.430   5.668  0.0711 -0.0008 -0.0622
+ 9627TIP3    H130329   0.169   4.371   5.720 -0.7753 -0.9114 -0.1770
+ 9627TIP3    H230330   0.026   4.417   5.703 -0.3751 -0.0013 -1.1472
+ 9628TIP3   OH230331   5.045   0.327   4.323  0.2145 -0.3012 -0.6679
+ 9628TIP3    H130332   5.004   0.272   4.256 -0.3358 -0.7894  0.0426
+ 9628TIP3    H230333   5.120   0.368   4.280 -1.1256  0.7426 -2.0614
+ 9629TIP3   OH230334   5.885   4.178   6.122 -0.2888 -0.3616  0.5840
+ 9629TIP3    H130335   5.855   4.178   6.032  2.1709  0.5953 -0.2806
+ 9629TIP3    H230336   5.964   4.125   6.122 -0.1052 -0.1300  2.1174
+ 9630TIP3   OH230337   5.566   5.089   6.045  0.6425 -0.2555  0.0509
+ 9630TIP3    H130338   5.539   5.167   5.995 -0.4419  0.0040  1.0396
+ 9630TIP3    H230339   5.519   5.096   6.128  0.2500 -2.1713  0.0057
+ 9631TIP3   OH230340   4.787   4.369   0.059 -0.0980 -0.0707  0.0078
+ 9631TIP3    H130341   4.760   4.387   0.149  1.9061 -0.0192  0.6342
+ 9631TIP3    H230342   4.706   4.370   0.009 -1.0802  1.5922  1.5402
+ 9632TIP3   OH230343   6.472   4.077   0.519 -0.3628 -0.3667 -0.2070
+ 9632TIP3    H130344   6.449   4.114   0.434  0.2718 -0.9609 -0.6495
+ 9632TIP3    H230345   6.389   4.068   0.565 -0.5829  1.0163 -0.3367
+ 9633TIP3   OH230346   3.531   1.268   4.272 -0.6735 -0.2849  0.4129
+ 9633TIP3    H130347   3.582   1.345   4.297 -1.0002  0.1685 -0.2956
+ 9633TIP3    H230348   3.554   1.253   4.180  0.1381 -1.6267  0.8190
+ 9634TIP3   OH230349   3.340   6.496   5.265 -0.0503 -0.3084 -0.2804
+ 9634TIP3    H130350   3.291   6.564   5.310 -0.1180 -0.5164 -0.0391
+ 9634TIP3    H230351   3.432   6.522   5.275 -0.1356  0.3127 -1.1128
+ 9635TIP3   OH230352   5.966   2.620   1.130  0.1478 -0.1483 -0.1802
+ 9635TIP3    H130353   6.033   2.583   1.072 -0.0203 -1.1470  0.2528
+ 9635TIP3    H230354   5.952   2.709   1.097  0.0254 -0.7228 -1.7099
+ 9636TIP3   OH230355   0.257   0.868   0.627 -0.1134 -0.2804 -0.0398
+ 9636TIP3    H130356   0.224   0.898   0.542 -2.6767  2.5878  1.8701
+ 9636TIP3    H230357   0.329   0.927   0.646 -0.4727  0.0066  0.4294
+ 9637TIP3   OH230358   6.056   5.599   6.185 -0.1801  0.1912 -0.3129
+ 9637TIP3    H130359   6.102   5.681   6.167 -0.1881  0.1337 -0.6008
+ 9637TIP3    H230360   6.090   5.570   6.270  0.6243 -0.0633 -0.7188
+ 9638TIP3   OH230361   0.785   5.831   6.834 -0.3531  0.3246  0.0638
+ 9638TIP3    H130362   0.867   5.879   6.826  0.9146 -1.7213  0.5696
+ 9638TIP3    H230363   0.717   5.896   6.814  1.5284  1.0935 -4.3396
+ 9639TIP3   OH230364   5.272   5.350   0.677 -0.1938 -0.8386  0.1616
+ 9639TIP3    H130365   5.195   5.365   0.621  0.0474 -1.8840 -0.4803
+ 9639TIP3    H230366   5.340   5.407   0.640 -0.4828 -0.3769  0.3424
+ 9640TIP3   OH230367   6.326   0.096   0.141  0.2558  0.5224  0.3647
+ 9640TIP3    H130368   6.266   0.089   0.216  1.2881  0.7862  1.2248
+ 9640TIP3    H230369   6.343   0.190   0.133  0.4616  0.4582  0.0558
+ 9641TIP3   OH230370   0.650   4.849   1.092 -0.1798 -0.3231 -0.4435
+ 9641TIP3    H130371   0.667   4.822   1.182 -0.3496  0.3481 -0.2060
+ 9641TIP3    H230372   0.605   4.933   1.100  0.5789  0.1655 -1.1709
+ 9642TIP3   OH230373   5.401   5.397   1.849 -0.2665 -0.4944 -0.1271
+ 9642TIP3    H130374   5.491   5.430   1.841 -0.1268 -1.1209 -1.1763
+ 9642TIP3    H230375   5.403   5.338   1.924  0.7282 -2.2648 -1.5336
+ 9643TIP3   OH230376   0.245   4.534   1.404  0.1110  0.1984 -0.2960
+ 9643TIP3    H130377   0.228   4.553   1.496  0.3105  0.4072 -0.3014
+ 9643TIP3    H230378   0.221   4.615   1.359  2.8332  1.1527 -0.1180
+ 9644TIP3   OH230379   2.045   2.892   5.766  0.0574 -0.3076  0.3329
+ 9644TIP3    H130380   1.987   2.857   5.698  1.3761 -0.9785 -0.4513
+ 9644TIP3    H230381   2.031   2.987   5.762 -0.3528 -0.3944 -0.4315
+ 9645TIP3   OH230382   5.516   5.306   5.875 -0.3649 -0.5036 -0.0141
+ 9645TIP3    H130383   5.505   5.246   5.800  1.5975  0.5321 -1.1643
+ 9645TIP3    H230384   5.447   5.372   5.862  0.9545  0.5867 -1.8765
+ 9646TIP3   OH230385   0.545   0.039   6.537  0.5024 -0.0954 -0.4743
+ 9646TIP3    H130386   0.480   0.095   6.496  1.7696  0.0187 -2.3881
+ 9646TIP3    H230387   0.623   0.048   6.482  1.8209 -1.0091  1.1891
+ 9647TIP3   OH230388   5.304   5.607   3.116 -0.1965  0.0314 -0.1170
+ 9647TIP3    H130389   5.396   5.612   3.089  0.3919  3.0581  2.2403
+ 9647TIP3    H230390   5.305   5.547   3.191 -0.1437  0.0437 -0.1071
+ 9648TIP3   OH230391   6.616   0.335   5.940  0.0326 -0.0352  0.1253
+ 9648TIP3    H130392   6.698   0.300   5.906  1.1236  0.4427  2.1630
+ 9648TIP3    H230393   6.587   0.270   6.004 -0.8208  0.1220 -0.1013
+ 9649TIP3   OH230394   5.975   1.208   5.301  0.0379 -0.1040 -0.1769
+ 9649TIP3    H130395   5.988   1.114   5.314  0.6665 -0.0565 -0.4170
+ 9649TIP3    H230396   6.061   1.247   5.318 -0.3540  0.4897  0.4650
+ 9650TIP3   OH230397   6.034   6.205   0.192  0.2998  0.4646 -0.0531
+ 9650TIP3    H130398   6.007   6.188   0.101 -0.9346 -0.1582  0.4217
+ 9650TIP3    H230399   6.121   6.245   0.184  0.3963 -0.0010 -1.4912
+ 9651TIP3   OH230400   6.051   6.136   6.359 -1.0387 -0.6574 -0.4935
+ 9651TIP3    H130401   6.123   6.152   6.421  0.5295 -1.7270 -1.9767
+ 9651TIP3    H230402   5.986   6.203   6.379  0.2412  0.1250  1.1120
+ 9652TIP3   OH230403   4.956   6.583   6.607  0.3679 -0.2417  1.2966
+ 9652TIP3    H130404   5.030   6.533   6.571  1.0994 -0.7812  3.5196
+ 9652TIP3    H230405   4.997   6.652   6.659 -0.6857  0.5110  1.1371
+ 9653TIP3   OH230406   4.641   3.789   6.762 -0.2458  0.0830  0.0344
+ 9653TIP3    H130407   4.657   3.869   6.711  0.0903 -0.7321 -1.1737
+ 9653TIP3    H230408   4.551   3.764   6.739 -0.8608  0.8553  1.4880
+ 9654TIP3   OH230409   5.790   3.344   0.496  0.2329 -0.2641  0.1882
+ 9654TIP3    H130410   5.779   3.355   0.590  0.7494  1.3260  0.0679
+ 9654TIP3    H230411   5.829   3.426   0.466 -1.3457 -0.1422 -1.6442
+ 9655TIP3   OH230412   4.172   1.031   5.076 -0.1980 -0.0635 -0.4521
+ 9655TIP3    H130413   4.214   0.947   5.059 -1.4719 -1.4043  2.6497
+ 9655TIP3    H230414   4.218   1.066   5.152 -2.1856  0.1958  0.6716
+ 9656TIP3   OH230415   3.437   6.891   6.708 -0.2345  0.4398 -0.4556
+ 9656TIP3    H130416   3.390   6.831   6.650 -2.1274  1.6411 -0.2201
+ 9656TIP3    H230417   3.397   6.878   6.794 -0.3757  1.7119 -0.3173
+ 9657TIP3   OH230418   5.707   5.036   0.041 -0.1769  0.0171  0.0882
+ 9657TIP3    H130419   5.632   5.077  -0.002  1.6392  1.5332 -1.6826
+ 9657TIP3    H230420   5.726   4.959  -0.012  2.3623  2.1479 -2.1664
+ 9658TIP3   OH230421   4.441   3.059   0.771  0.3521 -0.1502  0.1304
+ 9658TIP3    H130422   4.514   3.006   0.739  0.8686 -0.0998  1.2151
+ 9658TIP3    H230423   4.393   3.084   0.692  1.5856 -0.0694 -0.6006
+   6.90000   6.90000   6.90000
diff --git a/gromacs-demos/vacf/test-topol.top b/gromacs-demos/vacf/test-topol.top
new file mode 100644
index 0000000..72cb83a
--- /dev/null
+++ b/gromacs-demos/vacf/test-topol.top
@@ -0,0 +1,26 @@
+;;
+;; Generated by CHARMM-GUI FF-Converter
+;;
+;; Correspondance:
+;; jul316@lehigh.edu or wonpil@lehigh.edu
+;;
+;; The main GROMACS topology file
+;;
+
+; Include forcefield parameters
+#include "toppar/forcefield.itp"
+#include "toppar/PROA.itp"
+#include "toppar/SOD.itp"
+#include "toppar/CLA.itp"
+#include "toppar/TIP3.itp"
+
+[ system ]
+; Name
+Title
+
+[ molecules ]
+; Compound	#mols
+PROA  	           1
+SOD   	          27
+CLA   	          35
+TIP3  	        9467
diff --git a/gromacs-demos/vacf/topol.top b/gromacs-demos/vacf/topol.top
new file mode 100644
index 0000000..eee1295
--- /dev/null
+++ b/gromacs-demos/vacf/topol.top
@@ -0,0 +1,18679 @@
+;
+;	File 'topol.top' was generated
+;	By user: matthiasheyden (502)
+;	On host: sms18he27imac37.dhcp.asu.edu
+;	At date: Thu Oct 17 11:15:47 2024
+;
+;	This is a standalone topology file
+;
+;	Created by:
+;	                   :-) GROMACS - gmx pdb2gmx, 2025-dev (-:
+;	
+;	Executable:   /usr/local/gromacs-imd-v3/bin/gmx
+;	Data prefix:  /usr/local/gromacs-imd-v3
+;	Working dir:  /Users/matthiasheyden/ASU Dropbox/Matthias Heyden/ASU-research/MDAnalysis/streaming-demos/00-prep
+;	Command line:
+;	  gmx pdb2gmx -f ../1hel.pdb -p -o
+;	Force field was read from the standard GROMACS share directory.
+;
+
+; Include forcefield parameters
+#include "amber99sb-ildn.ff/forcefield.itp"
+
+[ moleculetype ]
+; Name            nrexcl
+Protein_chain_A     3
+
+[ atoms ]
+;   nr       type  resnr residue  atom   cgnr     charge       mass  typeB    chargeB      massB
+; residue   1 LYS rtp NLYS q +2.0
+     1         N3      1    LYS      N      1     0.0966      14.01
+     2          H      1    LYS     H1      2     0.2165      1.008
+     3          H      1    LYS     H2      3     0.2165      1.008
+     4          H      1    LYS     H3      4     0.2165      1.008
+     5         CT      1    LYS     CA      5    -0.0015      12.01
+     6         HP      1    LYS     HA      6      0.118      1.008
+     7         CT      1    LYS     CB      7     0.0212      12.01
+     8         HC      1    LYS    HB1      8     0.0283      1.008
+     9         HC      1    LYS    HB2      9     0.0283      1.008
+    10         CT      1    LYS     CG     10    -0.0048      12.01
+    11         HC      1    LYS    HG1     11     0.0121      1.008
+    12         HC      1    LYS    HG2     12     0.0121      1.008
+    13         CT      1    LYS     CD     13    -0.0608      12.01
+    14         HC      1    LYS    HD1     14     0.0633      1.008
+    15         HC      1    LYS    HD2     15     0.0633      1.008
+    16         CT      1    LYS     CE     16    -0.0181      12.01
+    17         HP      1    LYS    HE1     17     0.1171      1.008
+    18         HP      1    LYS    HE2     18     0.1171      1.008
+    19         N3      1    LYS     NZ     19    -0.3764      14.01
+    20          H      1    LYS    HZ1     20     0.3382      1.008
+    21          H      1    LYS    HZ2     21     0.3382      1.008
+    22          H      1    LYS    HZ3     22     0.3382      1.008
+    23          C      1    LYS      C     23     0.7214      12.01
+    24          O      1    LYS      O     24    -0.6013         16   ; qtot 2
+; residue   2 VAL rtp VAL  q  0.0
+    25          N      2    VAL      N     25    -0.4157      14.01
+    26          H      2    VAL      H     26     0.2719      1.008
+    27         CT      2    VAL     CA     27    -0.0875      12.01
+    28         H1      2    VAL     HA     28     0.0969      1.008
+    29         CT      2    VAL     CB     29     0.2985      12.01
+    30         HC      2    VAL     HB     30    -0.0297      1.008
+    31         CT      2    VAL    CG1     31    -0.3192      12.01
+    32         HC      2    VAL   HG11     32     0.0791      1.008
+    33         HC      2    VAL   HG12     33     0.0791      1.008
+    34         HC      2    VAL   HG13     34     0.0791      1.008
+    35         CT      2    VAL    CG2     35    -0.3192      12.01
+    36         HC      2    VAL   HG21     36     0.0791      1.008
+    37         HC      2    VAL   HG22     37     0.0791      1.008
+    38         HC      2    VAL   HG23     38     0.0791      1.008
+    39          C      2    VAL      C     39     0.5973      12.01
+    40          O      2    VAL      O     40    -0.5679         16   ; qtot 2
+; residue   3 PHE rtp PHE  q  0.0
+    41          N      3    PHE      N     41    -0.4157      14.01
+    42          H      3    PHE      H     42     0.2719      1.008
+    43         CT      3    PHE     CA     43    -0.0024      12.01
+    44         H1      3    PHE     HA     44     0.0978      1.008
+    45         CT      3    PHE     CB     45    -0.0343      12.01
+    46         HC      3    PHE    HB1     46     0.0295      1.008
+    47         HC      3    PHE    HB2     47     0.0295      1.008
+    48         CA      3    PHE     CG     48     0.0118      12.01
+    49         CA      3    PHE    CD1     49    -0.1256      12.01
+    50         HA      3    PHE    HD1     50      0.133      1.008
+    51         CA      3    PHE    CE1     51    -0.1704      12.01
+    52         HA      3    PHE    HE1     52      0.143      1.008
+    53         CA      3    PHE     CZ     53    -0.1072      12.01
+    54         HA      3    PHE     HZ     54     0.1297      1.008
+    55         CA      3    PHE    CE2     55    -0.1704      12.01
+    56         HA      3    PHE    HE2     56      0.143      1.008
+    57         CA      3    PHE    CD2     57    -0.1256      12.01
+    58         HA      3    PHE    HD2     58      0.133      1.008
+    59          C      3    PHE      C     59     0.5973      12.01
+    60          O      3    PHE      O     60    -0.5679         16   ; qtot 2
+; residue   4 GLY rtp GLY  q  0.0
+    61          N      4    GLY      N     61    -0.4157      14.01
+    62          H      4    GLY      H     62     0.2719      1.008
+    63         CT      4    GLY     CA     63    -0.0252      12.01
+    64         H1      4    GLY    HA1     64     0.0698      1.008
+    65         H1      4    GLY    HA2     65     0.0698      1.008
+    66          C      4    GLY      C     66     0.5973      12.01
+    67          O      4    GLY      O     67    -0.5679         16   ; qtot 2
+; residue   5 ARG rtp ARG  q +1.0
+    68          N      5    ARG      N     68    -0.3479      14.01
+    69          H      5    ARG      H     69     0.2747      1.008
+    70         CT      5    ARG     CA     70    -0.2637      12.01
+    71         H1      5    ARG     HA     71      0.156      1.008
+    72         CT      5    ARG     CB     72    -0.0007      12.01
+    73         HC      5    ARG    HB1     73     0.0327      1.008
+    74         HC      5    ARG    HB2     74     0.0327      1.008
+    75         CT      5    ARG     CG     75      0.039      12.01
+    76         HC      5    ARG    HG1     76     0.0285      1.008
+    77         HC      5    ARG    HG2     77     0.0285      1.008
+    78         CT      5    ARG     CD     78     0.0486      12.01
+    79         H1      5    ARG    HD1     79     0.0687      1.008
+    80         H1      5    ARG    HD2     80     0.0687      1.008
+    81         N2      5    ARG     NE     81    -0.5295      14.01
+    82          H      5    ARG     HE     82     0.3456      1.008
+    83         CA      5    ARG     CZ     83     0.8076      12.01
+    84         N2      5    ARG    NH1     84    -0.8627      14.01
+    85          H      5    ARG   HH11     85     0.4478      1.008
+    86          H      5    ARG   HH12     86     0.4478      1.008
+    87         N2      5    ARG    NH2     87    -0.8627      14.01
+    88          H      5    ARG   HH21     88     0.4478      1.008
+    89          H      5    ARG   HH22     89     0.4478      1.008
+    90          C      5    ARG      C     90     0.7341      12.01
+    91          O      5    ARG      O     91    -0.5894         16   ; qtot 3
+; residue   6 CYS rtp CYX  q  0.0
+    92          N      6    CYS      N     92    -0.4157      14.01
+    93          H      6    CYS      H     93     0.2719      1.008
+    94         CT      6    CYS     CA     94     0.0429      12.01
+    95         H1      6    CYS     HA     95     0.0766      1.008
+    96         CT      6    CYS     CB     96     -0.079      12.01
+    97         H1      6    CYS    HB1     97      0.091      1.008
+    98         H1      6    CYS    HB2     98      0.091      1.008
+    99          S      6    CYS     SG     99    -0.1081      32.06
+   100          C      6    CYS      C    100     0.5973      12.01
+   101          O      6    CYS      O    101    -0.5679         16   ; qtot 3
+; residue   7 GLU rtp GLU  q -1.0
+   102          N      7    GLU      N    102    -0.5163      14.01
+   103          H      7    GLU      H    103     0.2936      1.008
+   104         CT      7    GLU     CA    104     0.0397      12.01
+   105         H1      7    GLU     HA    105     0.1105      1.008
+   106         CT      7    GLU     CB    106      0.056      12.01
+   107         HC      7    GLU    HB1    107    -0.0173      1.008
+   108         HC      7    GLU    HB2    108    -0.0173      1.008
+   109         CT      7    GLU     CG    109     0.0136      12.01
+   110         HC      7    GLU    HG1    110    -0.0425      1.008
+   111         HC      7    GLU    HG2    111    -0.0425      1.008
+   112          C      7    GLU     CD    112     0.8054      12.01
+   113         O2      7    GLU    OE1    113    -0.8188         16
+   114         O2      7    GLU    OE2    114    -0.8188         16
+   115          C      7    GLU      C    115     0.5366      12.01
+   116          O      7    GLU      O    116    -0.5819         16   ; qtot 2
+; residue   8 LEU rtp LEU  q  0.0
+   117          N      8    LEU      N    117    -0.4157      14.01
+   118          H      8    LEU      H    118     0.2719      1.008
+   119         CT      8    LEU     CA    119    -0.0518      12.01
+   120         H1      8    LEU     HA    120     0.0922      1.008
+   121         CT      8    LEU     CB    121    -0.1102      12.01
+   122         HC      8    LEU    HB1    122     0.0457      1.008
+   123         HC      8    LEU    HB2    123     0.0457      1.008
+   124         CT      8    LEU     CG    124     0.3531      12.01
+   125         HC      8    LEU     HG    125    -0.0361      1.008
+   126         CT      8    LEU    CD1    126    -0.4121      12.01
+   127         HC      8    LEU   HD11    127        0.1      1.008
+   128         HC      8    LEU   HD12    128        0.1      1.008
+   129         HC      8    LEU   HD13    129        0.1      1.008
+   130         CT      8    LEU    CD2    130    -0.4121      12.01
+   131         HC      8    LEU   HD21    131        0.1      1.008
+   132         HC      8    LEU   HD22    132        0.1      1.008
+   133         HC      8    LEU   HD23    133        0.1      1.008
+   134          C      8    LEU      C    134     0.5973      12.01
+   135          O      8    LEU      O    135    -0.5679         16   ; qtot 2
+; residue   9 ALA rtp ALA  q  0.0
+   136          N      9    ALA      N    136    -0.4157      14.01
+   137          H      9    ALA      H    137     0.2719      1.008
+   138         CT      9    ALA     CA    138     0.0337      12.01
+   139         H1      9    ALA     HA    139     0.0823      1.008
+   140         CT      9    ALA     CB    140    -0.1825      12.01
+   141         HC      9    ALA    HB1    141     0.0603      1.008
+   142         HC      9    ALA    HB2    142     0.0603      1.008
+   143         HC      9    ALA    HB3    143     0.0603      1.008
+   144          C      9    ALA      C    144     0.5973      12.01
+   145          O      9    ALA      O    145    -0.5679         16   ; qtot 2
+; residue  10 ALA rtp ALA  q  0.0
+   146          N     10    ALA      N    146    -0.4157      14.01
+   147          H     10    ALA      H    147     0.2719      1.008
+   148         CT     10    ALA     CA    148     0.0337      12.01
+   149         H1     10    ALA     HA    149     0.0823      1.008
+   150         CT     10    ALA     CB    150    -0.1825      12.01
+   151         HC     10    ALA    HB1    151     0.0603      1.008
+   152         HC     10    ALA    HB2    152     0.0603      1.008
+   153         HC     10    ALA    HB3    153     0.0603      1.008
+   154          C     10    ALA      C    154     0.5973      12.01
+   155          O     10    ALA      O    155    -0.5679         16   ; qtot 2
+; residue  11 ALA rtp ALA  q  0.0
+   156          N     11    ALA      N    156    -0.4157      14.01
+   157          H     11    ALA      H    157     0.2719      1.008
+   158         CT     11    ALA     CA    158     0.0337      12.01
+   159         H1     11    ALA     HA    159     0.0823      1.008
+   160         CT     11    ALA     CB    160    -0.1825      12.01
+   161         HC     11    ALA    HB1    161     0.0603      1.008
+   162         HC     11    ALA    HB2    162     0.0603      1.008
+   163         HC     11    ALA    HB3    163     0.0603      1.008
+   164          C     11    ALA      C    164     0.5973      12.01
+   165          O     11    ALA      O    165    -0.5679         16   ; qtot 2
+; residue  12 MET rtp MET  q  0.0
+   166          N     12    MET      N    166    -0.4157      14.01
+   167          H     12    MET      H    167     0.2719      1.008
+   168         CT     12    MET     CA    168    -0.0237      12.01
+   169         H1     12    MET     HA    169      0.088      1.008
+   170         CT     12    MET     CB    170     0.0342      12.01
+   171         HC     12    MET    HB1    171     0.0241      1.008
+   172         HC     12    MET    HB2    172     0.0241      1.008
+   173         CT     12    MET     CG    173     0.0018      12.01
+   174         H1     12    MET    HG1    174      0.044      1.008
+   175         H1     12    MET    HG2    175      0.044      1.008
+   176          S     12    MET     SD    176    -0.2737      32.06
+   177         CT     12    MET     CE    177    -0.0536      12.01
+   178         H1     12    MET    HE1    178     0.0684      1.008
+   179         H1     12    MET    HE2    179     0.0684      1.008
+   180         H1     12    MET    HE3    180     0.0684      1.008
+   181          C     12    MET      C    181     0.5973      12.01
+   182          O     12    MET      O    182    -0.5679         16   ; qtot 2
+; residue  13 LYS rtp LYS  q +1.0
+   183          N     13    LYS      N    183    -0.3479      14.01
+   184          H     13    LYS      H    184     0.2747      1.008
+   185         CT     13    LYS     CA    185      -0.24      12.01
+   186         H1     13    LYS     HA    186     0.1426      1.008
+   187         CT     13    LYS     CB    187    -0.0094      12.01
+   188         HC     13    LYS    HB1    188     0.0362      1.008
+   189         HC     13    LYS    HB2    189     0.0362      1.008
+   190         CT     13    LYS     CG    190     0.0187      12.01
+   191         HC     13    LYS    HG1    191     0.0103      1.008
+   192         HC     13    LYS    HG2    192     0.0103      1.008
+   193         CT     13    LYS     CD    193    -0.0479      12.01
+   194         HC     13    LYS    HD1    194     0.0621      1.008
+   195         HC     13    LYS    HD2    195     0.0621      1.008
+   196         CT     13    LYS     CE    196    -0.0143      12.01
+   197         HP     13    LYS    HE1    197     0.1135      1.008
+   198         HP     13    LYS    HE2    198     0.1135      1.008
+   199         N3     13    LYS     NZ    199    -0.3854      14.01
+   200          H     13    LYS    HZ1    200       0.34      1.008
+   201          H     13    LYS    HZ2    201       0.34      1.008
+   202          H     13    LYS    HZ3    202       0.34      1.008
+   203          C     13    LYS      C    203     0.7341      12.01
+   204          O     13    LYS      O    204    -0.5894         16   ; qtot 3
+; residue  14 ARG rtp ARG  q +1.0
+   205          N     14    ARG      N    205    -0.3479      14.01
+   206          H     14    ARG      H    206     0.2747      1.008
+   207         CT     14    ARG     CA    207    -0.2637      12.01
+   208         H1     14    ARG     HA    208      0.156      1.008
+   209         CT     14    ARG     CB    209    -0.0007      12.01
+   210         HC     14    ARG    HB1    210     0.0327      1.008
+   211         HC     14    ARG    HB2    211     0.0327      1.008
+   212         CT     14    ARG     CG    212      0.039      12.01
+   213         HC     14    ARG    HG1    213     0.0285      1.008
+   214         HC     14    ARG    HG2    214     0.0285      1.008
+   215         CT     14    ARG     CD    215     0.0486      12.01
+   216         H1     14    ARG    HD1    216     0.0687      1.008
+   217         H1     14    ARG    HD2    217     0.0687      1.008
+   218         N2     14    ARG     NE    218    -0.5295      14.01
+   219          H     14    ARG     HE    219     0.3456      1.008
+   220         CA     14    ARG     CZ    220     0.8076      12.01
+   221         N2     14    ARG    NH1    221    -0.8627      14.01
+   222          H     14    ARG   HH11    222     0.4478      1.008
+   223          H     14    ARG   HH12    223     0.4478      1.008
+   224         N2     14    ARG    NH2    224    -0.8627      14.01
+   225          H     14    ARG   HH21    225     0.4478      1.008
+   226          H     14    ARG   HH22    226     0.4478      1.008
+   227          C     14    ARG      C    227     0.7341      12.01
+   228          O     14    ARG      O    228    -0.5894         16   ; qtot 4
+; residue  15 HIS rtp HID  q  0.0
+   229          N     15    HIS      N    229    -0.4157      14.01
+   230          H     15    HIS      H    230     0.2719      1.008
+   231         CT     15    HIS     CA    231     0.0188      12.01
+   232         H1     15    HIS     HA    232     0.0881      1.008
+   233         CT     15    HIS     CB    233    -0.0462      12.01
+   234         HC     15    HIS    HB1    234     0.0402      1.008
+   235         HC     15    HIS    HB2    235     0.0402      1.008
+   236         CC     15    HIS     CG    236    -0.0266      12.01
+   237         NA     15    HIS    ND1    237    -0.3811      14.01
+   238          H     15    HIS    HD1    238     0.3649      1.008
+   239         CR     15    HIS    CE1    239     0.2057      12.01
+   240         H5     15    HIS    HE1    240     0.1392      1.008
+   241         NB     15    HIS    NE2    241    -0.5727      14.01
+   242         CV     15    HIS    CD2    242     0.1292      12.01
+   243         H4     15    HIS    HD2    243     0.1147      1.008
+   244          C     15    HIS      C    244     0.5973      12.01
+   245          O     15    HIS      O    245    -0.5679         16   ; qtot 4
+; residue  16 GLY rtp GLY  q  0.0
+   246          N     16    GLY      N    246    -0.4157      14.01
+   247          H     16    GLY      H    247     0.2719      1.008
+   248         CT     16    GLY     CA    248    -0.0252      12.01
+   249         H1     16    GLY    HA1    249     0.0698      1.008
+   250         H1     16    GLY    HA2    250     0.0698      1.008
+   251          C     16    GLY      C    251     0.5973      12.01
+   252          O     16    GLY      O    252    -0.5679         16   ; qtot 4
+; residue  17 LEU rtp LEU  q  0.0
+   253          N     17    LEU      N    253    -0.4157      14.01
+   254          H     17    LEU      H    254     0.2719      1.008
+   255         CT     17    LEU     CA    255    -0.0518      12.01
+   256         H1     17    LEU     HA    256     0.0922      1.008
+   257         CT     17    LEU     CB    257    -0.1102      12.01
+   258         HC     17    LEU    HB1    258     0.0457      1.008
+   259         HC     17    LEU    HB2    259     0.0457      1.008
+   260         CT     17    LEU     CG    260     0.3531      12.01
+   261         HC     17    LEU     HG    261    -0.0361      1.008
+   262         CT     17    LEU    CD1    262    -0.4121      12.01
+   263         HC     17    LEU   HD11    263        0.1      1.008
+   264         HC     17    LEU   HD12    264        0.1      1.008
+   265         HC     17    LEU   HD13    265        0.1      1.008
+   266         CT     17    LEU    CD2    266    -0.4121      12.01
+   267         HC     17    LEU   HD21    267        0.1      1.008
+   268         HC     17    LEU   HD22    268        0.1      1.008
+   269         HC     17    LEU   HD23    269        0.1      1.008
+   270          C     17    LEU      C    270     0.5973      12.01
+   271          O     17    LEU      O    271    -0.5679         16   ; qtot 4
+; residue  18 ASP rtp ASP  q -1.0
+   272          N     18    ASP      N    272    -0.5163      14.01
+   273          H     18    ASP      H    273     0.2936      1.008
+   274         CT     18    ASP     CA    274     0.0381      12.01
+   275         H1     18    ASP     HA    275      0.088      1.008
+   276         CT     18    ASP     CB    276    -0.0303      12.01
+   277         HC     18    ASP    HB1    277    -0.0122      1.008
+   278         HC     18    ASP    HB2    278    -0.0122      1.008
+   279          C     18    ASP     CG    279     0.7994      12.01
+   280         O2     18    ASP    OD1    280    -0.8014         16
+   281         O2     18    ASP    OD2    281    -0.8014         16
+   282          C     18    ASP      C    282     0.5366      12.01
+   283          O     18    ASP      O    283    -0.5819         16   ; qtot 3
+; residue  19 ASN rtp ASN  q  0.0
+   284          N     19    ASN      N    284    -0.4157      14.01
+   285          H     19    ASN      H    285     0.2719      1.008
+   286         CT     19    ASN     CA    286     0.0143      12.01
+   287         H1     19    ASN     HA    287     0.1048      1.008
+   288         CT     19    ASN     CB    288    -0.2041      12.01
+   289         HC     19    ASN    HB1    289     0.0797      1.008
+   290         HC     19    ASN    HB2    290     0.0797      1.008
+   291          C     19    ASN     CG    291      0.713      12.01
+   292          O     19    ASN    OD1    292    -0.5931         16
+   293          N     19    ASN    ND2    293    -0.9191      14.01
+   294          H     19    ASN   HD21    294     0.4196      1.008
+   295          H     19    ASN   HD22    295     0.4196      1.008
+   296          C     19    ASN      C    296     0.5973      12.01
+   297          O     19    ASN      O    297    -0.5679         16   ; qtot 3
+; residue  20 TYR rtp TYR  q  0.0
+   298          N     20    TYR      N    298    -0.4157      14.01
+   299          H     20    TYR      H    299     0.2719      1.008
+   300         CT     20    TYR     CA    300    -0.0014      12.01
+   301         H1     20    TYR     HA    301     0.0876      1.008
+   302         CT     20    TYR     CB    302    -0.0152      12.01
+   303         HC     20    TYR    HB1    303     0.0295      1.008
+   304         HC     20    TYR    HB2    304     0.0295      1.008
+   305         CA     20    TYR     CG    305    -0.0011      12.01
+   306         CA     20    TYR    CD1    306    -0.1906      12.01
+   307         HA     20    TYR    HD1    307     0.1699      1.008
+   308         CA     20    TYR    CE1    308    -0.2341      12.01
+   309         HA     20    TYR    HE1    309     0.1656      1.008
+   310          C     20    TYR     CZ    310     0.3226      12.01
+   311         OH     20    TYR     OH    311    -0.5579         16
+   312         HO     20    TYR     HH    312     0.3992      1.008
+   313         CA     20    TYR    CE2    313    -0.2341      12.01
+   314         HA     20    TYR    HE2    314     0.1656      1.008
+   315         CA     20    TYR    CD2    315    -0.1906      12.01
+   316         HA     20    TYR    HD2    316     0.1699      1.008
+   317          C     20    TYR      C    317     0.5973      12.01
+   318          O     20    TYR      O    318    -0.5679         16   ; qtot 3
+; residue  21 ARG rtp ARG  q +1.0
+   319          N     21    ARG      N    319    -0.3479      14.01
+   320          H     21    ARG      H    320     0.2747      1.008
+   321         CT     21    ARG     CA    321    -0.2637      12.01
+   322         H1     21    ARG     HA    322      0.156      1.008
+   323         CT     21    ARG     CB    323    -0.0007      12.01
+   324         HC     21    ARG    HB1    324     0.0327      1.008
+   325         HC     21    ARG    HB2    325     0.0327      1.008
+   326         CT     21    ARG     CG    326      0.039      12.01
+   327         HC     21    ARG    HG1    327     0.0285      1.008
+   328         HC     21    ARG    HG2    328     0.0285      1.008
+   329         CT     21    ARG     CD    329     0.0486      12.01
+   330         H1     21    ARG    HD1    330     0.0687      1.008
+   331         H1     21    ARG    HD2    331     0.0687      1.008
+   332         N2     21    ARG     NE    332    -0.5295      14.01
+   333          H     21    ARG     HE    333     0.3456      1.008
+   334         CA     21    ARG     CZ    334     0.8076      12.01
+   335         N2     21    ARG    NH1    335    -0.8627      14.01
+   336          H     21    ARG   HH11    336     0.4478      1.008
+   337          H     21    ARG   HH12    337     0.4478      1.008
+   338         N2     21    ARG    NH2    338    -0.8627      14.01
+   339          H     21    ARG   HH21    339     0.4478      1.008
+   340          H     21    ARG   HH22    340     0.4478      1.008
+   341          C     21    ARG      C    341     0.7341      12.01
+   342          O     21    ARG      O    342    -0.5894         16   ; qtot 4
+; residue  22 GLY rtp GLY  q  0.0
+   343          N     22    GLY      N    343    -0.4157      14.01
+   344          H     22    GLY      H    344     0.2719      1.008
+   345         CT     22    GLY     CA    345    -0.0252      12.01
+   346         H1     22    GLY    HA1    346     0.0698      1.008
+   347         H1     22    GLY    HA2    347     0.0698      1.008
+   348          C     22    GLY      C    348     0.5973      12.01
+   349          O     22    GLY      O    349    -0.5679         16   ; qtot 4
+; residue  23 TYR rtp TYR  q  0.0
+   350          N     23    TYR      N    350    -0.4157      14.01
+   351          H     23    TYR      H    351     0.2719      1.008
+   352         CT     23    TYR     CA    352    -0.0014      12.01
+   353         H1     23    TYR     HA    353     0.0876      1.008
+   354         CT     23    TYR     CB    354    -0.0152      12.01
+   355         HC     23    TYR    HB1    355     0.0295      1.008
+   356         HC     23    TYR    HB2    356     0.0295      1.008
+   357         CA     23    TYR     CG    357    -0.0011      12.01
+   358         CA     23    TYR    CD1    358    -0.1906      12.01
+   359         HA     23    TYR    HD1    359     0.1699      1.008
+   360         CA     23    TYR    CE1    360    -0.2341      12.01
+   361         HA     23    TYR    HE1    361     0.1656      1.008
+   362          C     23    TYR     CZ    362     0.3226      12.01
+   363         OH     23    TYR     OH    363    -0.5579         16
+   364         HO     23    TYR     HH    364     0.3992      1.008
+   365         CA     23    TYR    CE2    365    -0.2341      12.01
+   366         HA     23    TYR    HE2    366     0.1656      1.008
+   367         CA     23    TYR    CD2    367    -0.1906      12.01
+   368         HA     23    TYR    HD2    368     0.1699      1.008
+   369          C     23    TYR      C    369     0.5973      12.01
+   370          O     23    TYR      O    370    -0.5679         16   ; qtot 4
+; residue  24 SER rtp SER  q  0.0
+   371          N     24    SER      N    371    -0.4157      14.01
+   372          H     24    SER      H    372     0.2719      1.008
+   373         CT     24    SER     CA    373    -0.0249      12.01
+   374         H1     24    SER     HA    374     0.0843      1.008
+   375         CT     24    SER     CB    375     0.2117      12.01
+   376         H1     24    SER    HB1    376     0.0352      1.008
+   377         H1     24    SER    HB2    377     0.0352      1.008
+   378         OH     24    SER     OG    378    -0.6546         16
+   379         HO     24    SER     HG    379     0.4275      1.008
+   380          C     24    SER      C    380     0.5973      12.01
+   381          O     24    SER      O    381    -0.5679         16   ; qtot 4
+; residue  25 LEU rtp LEU  q  0.0
+   382          N     25    LEU      N    382    -0.4157      14.01
+   383          H     25    LEU      H    383     0.2719      1.008
+   384         CT     25    LEU     CA    384    -0.0518      12.01
+   385         H1     25    LEU     HA    385     0.0922      1.008
+   386         CT     25    LEU     CB    386    -0.1102      12.01
+   387         HC     25    LEU    HB1    387     0.0457      1.008
+   388         HC     25    LEU    HB2    388     0.0457      1.008
+   389         CT     25    LEU     CG    389     0.3531      12.01
+   390         HC     25    LEU     HG    390    -0.0361      1.008
+   391         CT     25    LEU    CD1    391    -0.4121      12.01
+   392         HC     25    LEU   HD11    392        0.1      1.008
+   393         HC     25    LEU   HD12    393        0.1      1.008
+   394         HC     25    LEU   HD13    394        0.1      1.008
+   395         CT     25    LEU    CD2    395    -0.4121      12.01
+   396         HC     25    LEU   HD21    396        0.1      1.008
+   397         HC     25    LEU   HD22    397        0.1      1.008
+   398         HC     25    LEU   HD23    398        0.1      1.008
+   399          C     25    LEU      C    399     0.5973      12.01
+   400          O     25    LEU      O    400    -0.5679         16   ; qtot 4
+; residue  26 GLY rtp GLY  q  0.0
+   401          N     26    GLY      N    401    -0.4157      14.01
+   402          H     26    GLY      H    402     0.2719      1.008
+   403         CT     26    GLY     CA    403    -0.0252      12.01
+   404         H1     26    GLY    HA1    404     0.0698      1.008
+   405         H1     26    GLY    HA2    405     0.0698      1.008
+   406          C     26    GLY      C    406     0.5973      12.01
+   407          O     26    GLY      O    407    -0.5679         16   ; qtot 4
+; residue  27 ASN rtp ASN  q  0.0
+   408          N     27    ASN      N    408    -0.4157      14.01
+   409          H     27    ASN      H    409     0.2719      1.008
+   410         CT     27    ASN     CA    410     0.0143      12.01
+   411         H1     27    ASN     HA    411     0.1048      1.008
+   412         CT     27    ASN     CB    412    -0.2041      12.01
+   413         HC     27    ASN    HB1    413     0.0797      1.008
+   414         HC     27    ASN    HB2    414     0.0797      1.008
+   415          C     27    ASN     CG    415      0.713      12.01
+   416          O     27    ASN    OD1    416    -0.5931         16
+   417          N     27    ASN    ND2    417    -0.9191      14.01
+   418          H     27    ASN   HD21    418     0.4196      1.008
+   419          H     27    ASN   HD22    419     0.4196      1.008
+   420          C     27    ASN      C    420     0.5973      12.01
+   421          O     27    ASN      O    421    -0.5679         16   ; qtot 4
+; residue  28 TRP rtp TRP  q  0.0
+   422          N     28    TRP      N    422    -0.4157      14.01
+   423          H     28    TRP      H    423     0.2719      1.008
+   424         CT     28    TRP     CA    424    -0.0275      12.01
+   425         H1     28    TRP     HA    425     0.1123      1.008
+   426         CT     28    TRP     CB    426     -0.005      12.01
+   427         HC     28    TRP    HB1    427     0.0339      1.008
+   428         HC     28    TRP    HB2    428     0.0339      1.008
+   429         C*     28    TRP     CG    429    -0.1415      12.01
+   430         CW     28    TRP    CD1    430    -0.1638      12.01
+   431         H4     28    TRP    HD1    431     0.2062      1.008
+   432         NA     28    TRP    NE1    432    -0.3418      14.01
+   433          H     28    TRP    HE1    433     0.3412      1.008
+   434         CN     28    TRP    CE2    434      0.138      12.01
+   435         CA     28    TRP    CZ2    435    -0.2601      12.01
+   436         HA     28    TRP    HZ2    436     0.1572      1.008
+   437         CA     28    TRP    CH2    437    -0.1134      12.01
+   438         HA     28    TRP    HH2    438     0.1417      1.008
+   439         CA     28    TRP    CZ3    439    -0.1972      12.01
+   440         HA     28    TRP    HZ3    440     0.1447      1.008
+   441         CA     28    TRP    CE3    441    -0.2387      12.01
+   442         HA     28    TRP    HE3    442       0.17      1.008
+   443         CB     28    TRP    CD2    443     0.1243      12.01
+   444          C     28    TRP      C    444     0.5973      12.01
+   445          O     28    TRP      O    445    -0.5679         16   ; qtot 4
+; residue  29 VAL rtp VAL  q  0.0
+   446          N     29    VAL      N    446    -0.4157      14.01
+   447          H     29    VAL      H    447     0.2719      1.008
+   448         CT     29    VAL     CA    448    -0.0875      12.01
+   449         H1     29    VAL     HA    449     0.0969      1.008
+   450         CT     29    VAL     CB    450     0.2985      12.01
+   451         HC     29    VAL     HB    451    -0.0297      1.008
+   452         CT     29    VAL    CG1    452    -0.3192      12.01
+   453         HC     29    VAL   HG11    453     0.0791      1.008
+   454         HC     29    VAL   HG12    454     0.0791      1.008
+   455         HC     29    VAL   HG13    455     0.0791      1.008
+   456         CT     29    VAL    CG2    456    -0.3192      12.01
+   457         HC     29    VAL   HG21    457     0.0791      1.008
+   458         HC     29    VAL   HG22    458     0.0791      1.008
+   459         HC     29    VAL   HG23    459     0.0791      1.008
+   460          C     29    VAL      C    460     0.5973      12.01
+   461          O     29    VAL      O    461    -0.5679         16   ; qtot 4
+; residue  30 CYS rtp CYX  q  0.0
+   462          N     30    CYS      N    462    -0.4157      14.01
+   463          H     30    CYS      H    463     0.2719      1.008
+   464         CT     30    CYS     CA    464     0.0429      12.01
+   465         H1     30    CYS     HA    465     0.0766      1.008
+   466         CT     30    CYS     CB    466     -0.079      12.01
+   467         H1     30    CYS    HB1    467      0.091      1.008
+   468         H1     30    CYS    HB2    468      0.091      1.008
+   469          S     30    CYS     SG    469    -0.1081      32.06
+   470          C     30    CYS      C    470     0.5973      12.01
+   471          O     30    CYS      O    471    -0.5679         16   ; qtot 4
+; residue  31 ALA rtp ALA  q  0.0
+   472          N     31    ALA      N    472    -0.4157      14.01
+   473          H     31    ALA      H    473     0.2719      1.008
+   474         CT     31    ALA     CA    474     0.0337      12.01
+   475         H1     31    ALA     HA    475     0.0823      1.008
+   476         CT     31    ALA     CB    476    -0.1825      12.01
+   477         HC     31    ALA    HB1    477     0.0603      1.008
+   478         HC     31    ALA    HB2    478     0.0603      1.008
+   479         HC     31    ALA    HB3    479     0.0603      1.008
+   480          C     31    ALA      C    480     0.5973      12.01
+   481          O     31    ALA      O    481    -0.5679         16   ; qtot 4
+; residue  32 ALA rtp ALA  q  0.0
+   482          N     32    ALA      N    482    -0.4157      14.01
+   483          H     32    ALA      H    483     0.2719      1.008
+   484         CT     32    ALA     CA    484     0.0337      12.01
+   485         H1     32    ALA     HA    485     0.0823      1.008
+   486         CT     32    ALA     CB    486    -0.1825      12.01
+   487         HC     32    ALA    HB1    487     0.0603      1.008
+   488         HC     32    ALA    HB2    488     0.0603      1.008
+   489         HC     32    ALA    HB3    489     0.0603      1.008
+   490          C     32    ALA      C    490     0.5973      12.01
+   491          O     32    ALA      O    491    -0.5679         16   ; qtot 4
+; residue  33 LYS rtp LYS  q +1.0
+   492          N     33    LYS      N    492    -0.3479      14.01
+   493          H     33    LYS      H    493     0.2747      1.008
+   494         CT     33    LYS     CA    494      -0.24      12.01
+   495         H1     33    LYS     HA    495     0.1426      1.008
+   496         CT     33    LYS     CB    496    -0.0094      12.01
+   497         HC     33    LYS    HB1    497     0.0362      1.008
+   498         HC     33    LYS    HB2    498     0.0362      1.008
+   499         CT     33    LYS     CG    499     0.0187      12.01
+   500         HC     33    LYS    HG1    500     0.0103      1.008
+   501         HC     33    LYS    HG2    501     0.0103      1.008
+   502         CT     33    LYS     CD    502    -0.0479      12.01
+   503         HC     33    LYS    HD1    503     0.0621      1.008
+   504         HC     33    LYS    HD2    504     0.0621      1.008
+   505         CT     33    LYS     CE    505    -0.0143      12.01
+   506         HP     33    LYS    HE1    506     0.1135      1.008
+   507         HP     33    LYS    HE2    507     0.1135      1.008
+   508         N3     33    LYS     NZ    508    -0.3854      14.01
+   509          H     33    LYS    HZ1    509       0.34      1.008
+   510          H     33    LYS    HZ2    510       0.34      1.008
+   511          H     33    LYS    HZ3    511       0.34      1.008
+   512          C     33    LYS      C    512     0.7341      12.01
+   513          O     33    LYS      O    513    -0.5894         16   ; qtot 5
+; residue  34 PHE rtp PHE  q  0.0
+   514          N     34    PHE      N    514    -0.4157      14.01
+   515          H     34    PHE      H    515     0.2719      1.008
+   516         CT     34    PHE     CA    516    -0.0024      12.01
+   517         H1     34    PHE     HA    517     0.0978      1.008
+   518         CT     34    PHE     CB    518    -0.0343      12.01
+   519         HC     34    PHE    HB1    519     0.0295      1.008
+   520         HC     34    PHE    HB2    520     0.0295      1.008
+   521         CA     34    PHE     CG    521     0.0118      12.01
+   522         CA     34    PHE    CD1    522    -0.1256      12.01
+   523         HA     34    PHE    HD1    523      0.133      1.008
+   524         CA     34    PHE    CE1    524    -0.1704      12.01
+   525         HA     34    PHE    HE1    525      0.143      1.008
+   526         CA     34    PHE     CZ    526    -0.1072      12.01
+   527         HA     34    PHE     HZ    527     0.1297      1.008
+   528         CA     34    PHE    CE2    528    -0.1704      12.01
+   529         HA     34    PHE    HE2    529      0.143      1.008
+   530         CA     34    PHE    CD2    530    -0.1256      12.01
+   531         HA     34    PHE    HD2    531      0.133      1.008
+   532          C     34    PHE      C    532     0.5973      12.01
+   533          O     34    PHE      O    533    -0.5679         16   ; qtot 5
+; residue  35 GLU rtp GLU  q -1.0
+   534          N     35    GLU      N    534    -0.5163      14.01
+   535          H     35    GLU      H    535     0.2936      1.008
+   536         CT     35    GLU     CA    536     0.0397      12.01
+   537         H1     35    GLU     HA    537     0.1105      1.008
+   538         CT     35    GLU     CB    538      0.056      12.01
+   539         HC     35    GLU    HB1    539    -0.0173      1.008
+   540         HC     35    GLU    HB2    540    -0.0173      1.008
+   541         CT     35    GLU     CG    541     0.0136      12.01
+   542         HC     35    GLU    HG1    542    -0.0425      1.008
+   543         HC     35    GLU    HG2    543    -0.0425      1.008
+   544          C     35    GLU     CD    544     0.8054      12.01
+   545         O2     35    GLU    OE1    545    -0.8188         16
+   546         O2     35    GLU    OE2    546    -0.8188         16
+   547          C     35    GLU      C    547     0.5366      12.01
+   548          O     35    GLU      O    548    -0.5819         16   ; qtot 4
+; residue  36 SER rtp SER  q  0.0
+   549          N     36    SER      N    549    -0.4157      14.01
+   550          H     36    SER      H    550     0.2719      1.008
+   551         CT     36    SER     CA    551    -0.0249      12.01
+   552         H1     36    SER     HA    552     0.0843      1.008
+   553         CT     36    SER     CB    553     0.2117      12.01
+   554         H1     36    SER    HB1    554     0.0352      1.008
+   555         H1     36    SER    HB2    555     0.0352      1.008
+   556         OH     36    SER     OG    556    -0.6546         16
+   557         HO     36    SER     HG    557     0.4275      1.008
+   558          C     36    SER      C    558     0.5973      12.01
+   559          O     36    SER      O    559    -0.5679         16   ; qtot 4
+; residue  37 ASN rtp ASN  q  0.0
+   560          N     37    ASN      N    560    -0.4157      14.01
+   561          H     37    ASN      H    561     0.2719      1.008
+   562         CT     37    ASN     CA    562     0.0143      12.01
+   563         H1     37    ASN     HA    563     0.1048      1.008
+   564         CT     37    ASN     CB    564    -0.2041      12.01
+   565         HC     37    ASN    HB1    565     0.0797      1.008
+   566         HC     37    ASN    HB2    566     0.0797      1.008
+   567          C     37    ASN     CG    567      0.713      12.01
+   568          O     37    ASN    OD1    568    -0.5931         16
+   569          N     37    ASN    ND2    569    -0.9191      14.01
+   570          H     37    ASN   HD21    570     0.4196      1.008
+   571          H     37    ASN   HD22    571     0.4196      1.008
+   572          C     37    ASN      C    572     0.5973      12.01
+   573          O     37    ASN      O    573    -0.5679         16   ; qtot 4
+; residue  38 PHE rtp PHE  q  0.0
+   574          N     38    PHE      N    574    -0.4157      14.01
+   575          H     38    PHE      H    575     0.2719      1.008
+   576         CT     38    PHE     CA    576    -0.0024      12.01
+   577         H1     38    PHE     HA    577     0.0978      1.008
+   578         CT     38    PHE     CB    578    -0.0343      12.01
+   579         HC     38    PHE    HB1    579     0.0295      1.008
+   580         HC     38    PHE    HB2    580     0.0295      1.008
+   581         CA     38    PHE     CG    581     0.0118      12.01
+   582         CA     38    PHE    CD1    582    -0.1256      12.01
+   583         HA     38    PHE    HD1    583      0.133      1.008
+   584         CA     38    PHE    CE1    584    -0.1704      12.01
+   585         HA     38    PHE    HE1    585      0.143      1.008
+   586         CA     38    PHE     CZ    586    -0.1072      12.01
+   587         HA     38    PHE     HZ    587     0.1297      1.008
+   588         CA     38    PHE    CE2    588    -0.1704      12.01
+   589         HA     38    PHE    HE2    589      0.143      1.008
+   590         CA     38    PHE    CD2    590    -0.1256      12.01
+   591         HA     38    PHE    HD2    591      0.133      1.008
+   592          C     38    PHE      C    592     0.5973      12.01
+   593          O     38    PHE      O    593    -0.5679         16   ; qtot 4
+; residue  39 ASN rtp ASN  q  0.0
+   594          N     39    ASN      N    594    -0.4157      14.01
+   595          H     39    ASN      H    595     0.2719      1.008
+   596         CT     39    ASN     CA    596     0.0143      12.01
+   597         H1     39    ASN     HA    597     0.1048      1.008
+   598         CT     39    ASN     CB    598    -0.2041      12.01
+   599         HC     39    ASN    HB1    599     0.0797      1.008
+   600         HC     39    ASN    HB2    600     0.0797      1.008
+   601          C     39    ASN     CG    601      0.713      12.01
+   602          O     39    ASN    OD1    602    -0.5931         16
+   603          N     39    ASN    ND2    603    -0.9191      14.01
+   604          H     39    ASN   HD21    604     0.4196      1.008
+   605          H     39    ASN   HD22    605     0.4196      1.008
+   606          C     39    ASN      C    606     0.5973      12.01
+   607          O     39    ASN      O    607    -0.5679         16   ; qtot 4
+; residue  40 THR rtp THR  q  0.0
+   608          N     40    THR      N    608    -0.4157      14.01
+   609          H     40    THR      H    609     0.2719      1.008
+   610         CT     40    THR     CA    610    -0.0389      12.01
+   611         H1     40    THR     HA    611     0.1007      1.008
+   612         CT     40    THR     CB    612     0.3654      12.01
+   613         H1     40    THR     HB    613     0.0043      1.008
+   614         CT     40    THR    CG2    614    -0.2438      12.01
+   615         HC     40    THR   HG21    615     0.0642      1.008
+   616         HC     40    THR   HG22    616     0.0642      1.008
+   617         HC     40    THR   HG23    617     0.0642      1.008
+   618         OH     40    THR    OG1    618    -0.6761         16
+   619         HO     40    THR    HG1    619     0.4102      1.008
+   620          C     40    THR      C    620     0.5973      12.01
+   621          O     40    THR      O    621    -0.5679         16   ; qtot 4
+; residue  41 GLN rtp GLN  q  0.0
+   622          N     41    GLN      N    622    -0.4157      14.01
+   623          H     41    GLN      H    623     0.2719      1.008
+   624         CT     41    GLN     CA    624    -0.0031      12.01
+   625         H1     41    GLN     HA    625      0.085      1.008
+   626         CT     41    GLN     CB    626    -0.0036      12.01
+   627         HC     41    GLN    HB1    627     0.0171      1.008
+   628         HC     41    GLN    HB2    628     0.0171      1.008
+   629         CT     41    GLN     CG    629    -0.0645      12.01
+   630         HC     41    GLN    HG1    630     0.0352      1.008
+   631         HC     41    GLN    HG2    631     0.0352      1.008
+   632          C     41    GLN     CD    632     0.6951      12.01
+   633          O     41    GLN    OE1    633    -0.6086         16
+   634          N     41    GLN    NE2    634    -0.9407      14.01
+   635          H     41    GLN   HE21    635     0.4251      1.008
+   636          H     41    GLN   HE22    636     0.4251      1.008
+   637          C     41    GLN      C    637     0.5973      12.01
+   638          O     41    GLN      O    638    -0.5679         16   ; qtot 4
+; residue  42 ALA rtp ALA  q  0.0
+   639          N     42    ALA      N    639    -0.4157      14.01
+   640          H     42    ALA      H    640     0.2719      1.008
+   641         CT     42    ALA     CA    641     0.0337      12.01
+   642         H1     42    ALA     HA    642     0.0823      1.008
+   643         CT     42    ALA     CB    643    -0.1825      12.01
+   644         HC     42    ALA    HB1    644     0.0603      1.008
+   645         HC     42    ALA    HB2    645     0.0603      1.008
+   646         HC     42    ALA    HB3    646     0.0603      1.008
+   647          C     42    ALA      C    647     0.5973      12.01
+   648          O     42    ALA      O    648    -0.5679         16   ; qtot 4
+; residue  43 THR rtp THR  q  0.0
+   649          N     43    THR      N    649    -0.4157      14.01
+   650          H     43    THR      H    650     0.2719      1.008
+   651         CT     43    THR     CA    651    -0.0389      12.01
+   652         H1     43    THR     HA    652     0.1007      1.008
+   653         CT     43    THR     CB    653     0.3654      12.01
+   654         H1     43    THR     HB    654     0.0043      1.008
+   655         CT     43    THR    CG2    655    -0.2438      12.01
+   656         HC     43    THR   HG21    656     0.0642      1.008
+   657         HC     43    THR   HG22    657     0.0642      1.008
+   658         HC     43    THR   HG23    658     0.0642      1.008
+   659         OH     43    THR    OG1    659    -0.6761         16
+   660         HO     43    THR    HG1    660     0.4102      1.008
+   661          C     43    THR      C    661     0.5973      12.01
+   662          O     43    THR      O    662    -0.5679         16   ; qtot 4
+; residue  44 ASN rtp ASN  q  0.0
+   663          N     44    ASN      N    663    -0.4157      14.01
+   664          H     44    ASN      H    664     0.2719      1.008
+   665         CT     44    ASN     CA    665     0.0143      12.01
+   666         H1     44    ASN     HA    666     0.1048      1.008
+   667         CT     44    ASN     CB    667    -0.2041      12.01
+   668         HC     44    ASN    HB1    668     0.0797      1.008
+   669         HC     44    ASN    HB2    669     0.0797      1.008
+   670          C     44    ASN     CG    670      0.713      12.01
+   671          O     44    ASN    OD1    671    -0.5931         16
+   672          N     44    ASN    ND2    672    -0.9191      14.01
+   673          H     44    ASN   HD21    673     0.4196      1.008
+   674          H     44    ASN   HD22    674     0.4196      1.008
+   675          C     44    ASN      C    675     0.5973      12.01
+   676          O     44    ASN      O    676    -0.5679         16   ; qtot 4
+; residue  45 ARG rtp ARG  q +1.0
+   677          N     45    ARG      N    677    -0.3479      14.01
+   678          H     45    ARG      H    678     0.2747      1.008
+   679         CT     45    ARG     CA    679    -0.2637      12.01
+   680         H1     45    ARG     HA    680      0.156      1.008
+   681         CT     45    ARG     CB    681    -0.0007      12.01
+   682         HC     45    ARG    HB1    682     0.0327      1.008
+   683         HC     45    ARG    HB2    683     0.0327      1.008
+   684         CT     45    ARG     CG    684      0.039      12.01
+   685         HC     45    ARG    HG1    685     0.0285      1.008
+   686         HC     45    ARG    HG2    686     0.0285      1.008
+   687         CT     45    ARG     CD    687     0.0486      12.01
+   688         H1     45    ARG    HD1    688     0.0687      1.008
+   689         H1     45    ARG    HD2    689     0.0687      1.008
+   690         N2     45    ARG     NE    690    -0.5295      14.01
+   691          H     45    ARG     HE    691     0.3456      1.008
+   692         CA     45    ARG     CZ    692     0.8076      12.01
+   693         N2     45    ARG    NH1    693    -0.8627      14.01
+   694          H     45    ARG   HH11    694     0.4478      1.008
+   695          H     45    ARG   HH12    695     0.4478      1.008
+   696         N2     45    ARG    NH2    696    -0.8627      14.01
+   697          H     45    ARG   HH21    697     0.4478      1.008
+   698          H     45    ARG   HH22    698     0.4478      1.008
+   699          C     45    ARG      C    699     0.7341      12.01
+   700          O     45    ARG      O    700    -0.5894         16   ; qtot 5
+; residue  46 ASN rtp ASN  q  0.0
+   701          N     46    ASN      N    701    -0.4157      14.01
+   702          H     46    ASN      H    702     0.2719      1.008
+   703         CT     46    ASN     CA    703     0.0143      12.01
+   704         H1     46    ASN     HA    704     0.1048      1.008
+   705         CT     46    ASN     CB    705    -0.2041      12.01
+   706         HC     46    ASN    HB1    706     0.0797      1.008
+   707         HC     46    ASN    HB2    707     0.0797      1.008
+   708          C     46    ASN     CG    708      0.713      12.01
+   709          O     46    ASN    OD1    709    -0.5931         16
+   710          N     46    ASN    ND2    710    -0.9191      14.01
+   711          H     46    ASN   HD21    711     0.4196      1.008
+   712          H     46    ASN   HD22    712     0.4196      1.008
+   713          C     46    ASN      C    713     0.5973      12.01
+   714          O     46    ASN      O    714    -0.5679         16   ; qtot 5
+; residue  47 THR rtp THR  q  0.0
+   715          N     47    THR      N    715    -0.4157      14.01
+   716          H     47    THR      H    716     0.2719      1.008
+   717         CT     47    THR     CA    717    -0.0389      12.01
+   718         H1     47    THR     HA    718     0.1007      1.008
+   719         CT     47    THR     CB    719     0.3654      12.01
+   720         H1     47    THR     HB    720     0.0043      1.008
+   721         CT     47    THR    CG2    721    -0.2438      12.01
+   722         HC     47    THR   HG21    722     0.0642      1.008
+   723         HC     47    THR   HG22    723     0.0642      1.008
+   724         HC     47    THR   HG23    724     0.0642      1.008
+   725         OH     47    THR    OG1    725    -0.6761         16
+   726         HO     47    THR    HG1    726     0.4102      1.008
+   727          C     47    THR      C    727     0.5973      12.01
+   728          O     47    THR      O    728    -0.5679         16   ; qtot 5
+; residue  48 ASP rtp ASP  q -1.0
+   729          N     48    ASP      N    729    -0.5163      14.01
+   730          H     48    ASP      H    730     0.2936      1.008
+   731         CT     48    ASP     CA    731     0.0381      12.01
+   732         H1     48    ASP     HA    732      0.088      1.008
+   733         CT     48    ASP     CB    733    -0.0303      12.01
+   734         HC     48    ASP    HB1    734    -0.0122      1.008
+   735         HC     48    ASP    HB2    735    -0.0122      1.008
+   736          C     48    ASP     CG    736     0.7994      12.01
+   737         O2     48    ASP    OD1    737    -0.8014         16
+   738         O2     48    ASP    OD2    738    -0.8014         16
+   739          C     48    ASP      C    739     0.5366      12.01
+   740          O     48    ASP      O    740    -0.5819         16   ; qtot 4
+; residue  49 GLY rtp GLY  q  0.0
+   741          N     49    GLY      N    741    -0.4157      14.01
+   742          H     49    GLY      H    742     0.2719      1.008
+   743         CT     49    GLY     CA    743    -0.0252      12.01
+   744         H1     49    GLY    HA1    744     0.0698      1.008
+   745         H1     49    GLY    HA2    745     0.0698      1.008
+   746          C     49    GLY      C    746     0.5973      12.01
+   747          O     49    GLY      O    747    -0.5679         16   ; qtot 4
+; residue  50 SER rtp SER  q  0.0
+   748          N     50    SER      N    748    -0.4157      14.01
+   749          H     50    SER      H    749     0.2719      1.008
+   750         CT     50    SER     CA    750    -0.0249      12.01
+   751         H1     50    SER     HA    751     0.0843      1.008
+   752         CT     50    SER     CB    752     0.2117      12.01
+   753         H1     50    SER    HB1    753     0.0352      1.008
+   754         H1     50    SER    HB2    754     0.0352      1.008
+   755         OH     50    SER     OG    755    -0.6546         16
+   756         HO     50    SER     HG    756     0.4275      1.008
+   757          C     50    SER      C    757     0.5973      12.01
+   758          O     50    SER      O    758    -0.5679         16   ; qtot 4
+; residue  51 THR rtp THR  q  0.0
+   759          N     51    THR      N    759    -0.4157      14.01
+   760          H     51    THR      H    760     0.2719      1.008
+   761         CT     51    THR     CA    761    -0.0389      12.01
+   762         H1     51    THR     HA    762     0.1007      1.008
+   763         CT     51    THR     CB    763     0.3654      12.01
+   764         H1     51    THR     HB    764     0.0043      1.008
+   765         CT     51    THR    CG2    765    -0.2438      12.01
+   766         HC     51    THR   HG21    766     0.0642      1.008
+   767         HC     51    THR   HG22    767     0.0642      1.008
+   768         HC     51    THR   HG23    768     0.0642      1.008
+   769         OH     51    THR    OG1    769    -0.6761         16
+   770         HO     51    THR    HG1    770     0.4102      1.008
+   771          C     51    THR      C    771     0.5973      12.01
+   772          O     51    THR      O    772    -0.5679         16   ; qtot 4
+; residue  52 ASP rtp ASP  q -1.0
+   773          N     52    ASP      N    773    -0.5163      14.01
+   774          H     52    ASP      H    774     0.2936      1.008
+   775         CT     52    ASP     CA    775     0.0381      12.01
+   776         H1     52    ASP     HA    776      0.088      1.008
+   777         CT     52    ASP     CB    777    -0.0303      12.01
+   778         HC     52    ASP    HB1    778    -0.0122      1.008
+   779         HC     52    ASP    HB2    779    -0.0122      1.008
+   780          C     52    ASP     CG    780     0.7994      12.01
+   781         O2     52    ASP    OD1    781    -0.8014         16
+   782         O2     52    ASP    OD2    782    -0.8014         16
+   783          C     52    ASP      C    783     0.5366      12.01
+   784          O     52    ASP      O    784    -0.5819         16   ; qtot 3
+; residue  53 TYR rtp TYR  q  0.0
+   785          N     53    TYR      N    785    -0.4157      14.01
+   786          H     53    TYR      H    786     0.2719      1.008
+   787         CT     53    TYR     CA    787    -0.0014      12.01
+   788         H1     53    TYR     HA    788     0.0876      1.008
+   789         CT     53    TYR     CB    789    -0.0152      12.01
+   790         HC     53    TYR    HB1    790     0.0295      1.008
+   791         HC     53    TYR    HB2    791     0.0295      1.008
+   792         CA     53    TYR     CG    792    -0.0011      12.01
+   793         CA     53    TYR    CD1    793    -0.1906      12.01
+   794         HA     53    TYR    HD1    794     0.1699      1.008
+   795         CA     53    TYR    CE1    795    -0.2341      12.01
+   796         HA     53    TYR    HE1    796     0.1656      1.008
+   797          C     53    TYR     CZ    797     0.3226      12.01
+   798         OH     53    TYR     OH    798    -0.5579         16
+   799         HO     53    TYR     HH    799     0.3992      1.008
+   800         CA     53    TYR    CE2    800    -0.2341      12.01
+   801         HA     53    TYR    HE2    801     0.1656      1.008
+   802         CA     53    TYR    CD2    802    -0.1906      12.01
+   803         HA     53    TYR    HD2    803     0.1699      1.008
+   804          C     53    TYR      C    804     0.5973      12.01
+   805          O     53    TYR      O    805    -0.5679         16   ; qtot 3
+; residue  54 GLY rtp GLY  q  0.0
+   806          N     54    GLY      N    806    -0.4157      14.01
+   807          H     54    GLY      H    807     0.2719      1.008
+   808         CT     54    GLY     CA    808    -0.0252      12.01
+   809         H1     54    GLY    HA1    809     0.0698      1.008
+   810         H1     54    GLY    HA2    810     0.0698      1.008
+   811          C     54    GLY      C    811     0.5973      12.01
+   812          O     54    GLY      O    812    -0.5679         16   ; qtot 3
+; residue  55 ILE rtp ILE  q  0.0
+   813          N     55    ILE      N    813    -0.4157      14.01
+   814          H     55    ILE      H    814     0.2719      1.008
+   815         CT     55    ILE     CA    815    -0.0597      12.01
+   816         H1     55    ILE     HA    816     0.0869      1.008
+   817         CT     55    ILE     CB    817     0.1303      12.01
+   818         HC     55    ILE     HB    818     0.0187      1.008
+   819         CT     55    ILE    CG2    819    -0.3204      12.01
+   820         HC     55    ILE   HG21    820     0.0882      1.008
+   821         HC     55    ILE   HG22    821     0.0882      1.008
+   822         HC     55    ILE   HG23    822     0.0882      1.008
+   823         CT     55    ILE    CG1    823     -0.043      12.01
+   824         HC     55    ILE   HG11    824     0.0236      1.008
+   825         HC     55    ILE   HG12    825     0.0236      1.008
+   826         CT     55    ILE     CD    826     -0.066      12.01
+   827         HC     55    ILE    HD1    827     0.0186      1.008
+   828         HC     55    ILE    HD2    828     0.0186      1.008
+   829         HC     55    ILE    HD3    829     0.0186      1.008
+   830          C     55    ILE      C    830     0.5973      12.01
+   831          O     55    ILE      O    831    -0.5679         16   ; qtot 3
+; residue  56 LEU rtp LEU  q  0.0
+   832          N     56    LEU      N    832    -0.4157      14.01
+   833          H     56    LEU      H    833     0.2719      1.008
+   834         CT     56    LEU     CA    834    -0.0518      12.01
+   835         H1     56    LEU     HA    835     0.0922      1.008
+   836         CT     56    LEU     CB    836    -0.1102      12.01
+   837         HC     56    LEU    HB1    837     0.0457      1.008
+   838         HC     56    LEU    HB2    838     0.0457      1.008
+   839         CT     56    LEU     CG    839     0.3531      12.01
+   840         HC     56    LEU     HG    840    -0.0361      1.008
+   841         CT     56    LEU    CD1    841    -0.4121      12.01
+   842         HC     56    LEU   HD11    842        0.1      1.008
+   843         HC     56    LEU   HD12    843        0.1      1.008
+   844         HC     56    LEU   HD13    844        0.1      1.008
+   845         CT     56    LEU    CD2    845    -0.4121      12.01
+   846         HC     56    LEU   HD21    846        0.1      1.008
+   847         HC     56    LEU   HD22    847        0.1      1.008
+   848         HC     56    LEU   HD23    848        0.1      1.008
+   849          C     56    LEU      C    849     0.5973      12.01
+   850          O     56    LEU      O    850    -0.5679         16   ; qtot 3
+; residue  57 GLN rtp GLN  q  0.0
+   851          N     57    GLN      N    851    -0.4157      14.01
+   852          H     57    GLN      H    852     0.2719      1.008
+   853         CT     57    GLN     CA    853    -0.0031      12.01
+   854         H1     57    GLN     HA    854      0.085      1.008
+   855         CT     57    GLN     CB    855    -0.0036      12.01
+   856         HC     57    GLN    HB1    856     0.0171      1.008
+   857         HC     57    GLN    HB2    857     0.0171      1.008
+   858         CT     57    GLN     CG    858    -0.0645      12.01
+   859         HC     57    GLN    HG1    859     0.0352      1.008
+   860         HC     57    GLN    HG2    860     0.0352      1.008
+   861          C     57    GLN     CD    861     0.6951      12.01
+   862          O     57    GLN    OE1    862    -0.6086         16
+   863          N     57    GLN    NE2    863    -0.9407      14.01
+   864          H     57    GLN   HE21    864     0.4251      1.008
+   865          H     57    GLN   HE22    865     0.4251      1.008
+   866          C     57    GLN      C    866     0.5973      12.01
+   867          O     57    GLN      O    867    -0.5679         16   ; qtot 3
+; residue  58 ILE rtp ILE  q  0.0
+   868          N     58    ILE      N    868    -0.4157      14.01
+   869          H     58    ILE      H    869     0.2719      1.008
+   870         CT     58    ILE     CA    870    -0.0597      12.01
+   871         H1     58    ILE     HA    871     0.0869      1.008
+   872         CT     58    ILE     CB    872     0.1303      12.01
+   873         HC     58    ILE     HB    873     0.0187      1.008
+   874         CT     58    ILE    CG2    874    -0.3204      12.01
+   875         HC     58    ILE   HG21    875     0.0882      1.008
+   876         HC     58    ILE   HG22    876     0.0882      1.008
+   877         HC     58    ILE   HG23    877     0.0882      1.008
+   878         CT     58    ILE    CG1    878     -0.043      12.01
+   879         HC     58    ILE   HG11    879     0.0236      1.008
+   880         HC     58    ILE   HG12    880     0.0236      1.008
+   881         CT     58    ILE     CD    881     -0.066      12.01
+   882         HC     58    ILE    HD1    882     0.0186      1.008
+   883         HC     58    ILE    HD2    883     0.0186      1.008
+   884         HC     58    ILE    HD3    884     0.0186      1.008
+   885          C     58    ILE      C    885     0.5973      12.01
+   886          O     58    ILE      O    886    -0.5679         16   ; qtot 3
+; residue  59 ASN rtp ASN  q  0.0
+   887          N     59    ASN      N    887    -0.4157      14.01
+   888          H     59    ASN      H    888     0.2719      1.008
+   889         CT     59    ASN     CA    889     0.0143      12.01
+   890         H1     59    ASN     HA    890     0.1048      1.008
+   891         CT     59    ASN     CB    891    -0.2041      12.01
+   892         HC     59    ASN    HB1    892     0.0797      1.008
+   893         HC     59    ASN    HB2    893     0.0797      1.008
+   894          C     59    ASN     CG    894      0.713      12.01
+   895          O     59    ASN    OD1    895    -0.5931         16
+   896          N     59    ASN    ND2    896    -0.9191      14.01
+   897          H     59    ASN   HD21    897     0.4196      1.008
+   898          H     59    ASN   HD22    898     0.4196      1.008
+   899          C     59    ASN      C    899     0.5973      12.01
+   900          O     59    ASN      O    900    -0.5679         16   ; qtot 3
+; residue  60 SER rtp SER  q  0.0
+   901          N     60    SER      N    901    -0.4157      14.01
+   902          H     60    SER      H    902     0.2719      1.008
+   903         CT     60    SER     CA    903    -0.0249      12.01
+   904         H1     60    SER     HA    904     0.0843      1.008
+   905         CT     60    SER     CB    905     0.2117      12.01
+   906         H1     60    SER    HB1    906     0.0352      1.008
+   907         H1     60    SER    HB2    907     0.0352      1.008
+   908         OH     60    SER     OG    908    -0.6546         16
+   909         HO     60    SER     HG    909     0.4275      1.008
+   910          C     60    SER      C    910     0.5973      12.01
+   911          O     60    SER      O    911    -0.5679         16   ; qtot 3
+; residue  61 ARG rtp ARG  q +1.0
+   912          N     61    ARG      N    912    -0.3479      14.01
+   913          H     61    ARG      H    913     0.2747      1.008
+   914         CT     61    ARG     CA    914    -0.2637      12.01
+   915         H1     61    ARG     HA    915      0.156      1.008
+   916         CT     61    ARG     CB    916    -0.0007      12.01
+   917         HC     61    ARG    HB1    917     0.0327      1.008
+   918         HC     61    ARG    HB2    918     0.0327      1.008
+   919         CT     61    ARG     CG    919      0.039      12.01
+   920         HC     61    ARG    HG1    920     0.0285      1.008
+   921         HC     61    ARG    HG2    921     0.0285      1.008
+   922         CT     61    ARG     CD    922     0.0486      12.01
+   923         H1     61    ARG    HD1    923     0.0687      1.008
+   924         H1     61    ARG    HD2    924     0.0687      1.008
+   925         N2     61    ARG     NE    925    -0.5295      14.01
+   926          H     61    ARG     HE    926     0.3456      1.008
+   927         CA     61    ARG     CZ    927     0.8076      12.01
+   928         N2     61    ARG    NH1    928    -0.8627      14.01
+   929          H     61    ARG   HH11    929     0.4478      1.008
+   930          H     61    ARG   HH12    930     0.4478      1.008
+   931         N2     61    ARG    NH2    931    -0.8627      14.01
+   932          H     61    ARG   HH21    932     0.4478      1.008
+   933          H     61    ARG   HH22    933     0.4478      1.008
+   934          C     61    ARG      C    934     0.7341      12.01
+   935          O     61    ARG      O    935    -0.5894         16   ; qtot 4
+; residue  62 TRP rtp TRP  q  0.0
+   936          N     62    TRP      N    936    -0.4157      14.01
+   937          H     62    TRP      H    937     0.2719      1.008
+   938         CT     62    TRP     CA    938    -0.0275      12.01
+   939         H1     62    TRP     HA    939     0.1123      1.008
+   940         CT     62    TRP     CB    940     -0.005      12.01
+   941         HC     62    TRP    HB1    941     0.0339      1.008
+   942         HC     62    TRP    HB2    942     0.0339      1.008
+   943         C*     62    TRP     CG    943    -0.1415      12.01
+   944         CW     62    TRP    CD1    944    -0.1638      12.01
+   945         H4     62    TRP    HD1    945     0.2062      1.008
+   946         NA     62    TRP    NE1    946    -0.3418      14.01
+   947          H     62    TRP    HE1    947     0.3412      1.008
+   948         CN     62    TRP    CE2    948      0.138      12.01
+   949         CA     62    TRP    CZ2    949    -0.2601      12.01
+   950         HA     62    TRP    HZ2    950     0.1572      1.008
+   951         CA     62    TRP    CH2    951    -0.1134      12.01
+   952         HA     62    TRP    HH2    952     0.1417      1.008
+   953         CA     62    TRP    CZ3    953    -0.1972      12.01
+   954         HA     62    TRP    HZ3    954     0.1447      1.008
+   955         CA     62    TRP    CE3    955    -0.2387      12.01
+   956         HA     62    TRP    HE3    956       0.17      1.008
+   957         CB     62    TRP    CD2    957     0.1243      12.01
+   958          C     62    TRP      C    958     0.5973      12.01
+   959          O     62    TRP      O    959    -0.5679         16   ; qtot 4
+; residue  63 TRP rtp TRP  q  0.0
+   960          N     63    TRP      N    960    -0.4157      14.01
+   961          H     63    TRP      H    961     0.2719      1.008
+   962         CT     63    TRP     CA    962    -0.0275      12.01
+   963         H1     63    TRP     HA    963     0.1123      1.008
+   964         CT     63    TRP     CB    964     -0.005      12.01
+   965         HC     63    TRP    HB1    965     0.0339      1.008
+   966         HC     63    TRP    HB2    966     0.0339      1.008
+   967         C*     63    TRP     CG    967    -0.1415      12.01
+   968         CW     63    TRP    CD1    968    -0.1638      12.01
+   969         H4     63    TRP    HD1    969     0.2062      1.008
+   970         NA     63    TRP    NE1    970    -0.3418      14.01
+   971          H     63    TRP    HE1    971     0.3412      1.008
+   972         CN     63    TRP    CE2    972      0.138      12.01
+   973         CA     63    TRP    CZ2    973    -0.2601      12.01
+   974         HA     63    TRP    HZ2    974     0.1572      1.008
+   975         CA     63    TRP    CH2    975    -0.1134      12.01
+   976         HA     63    TRP    HH2    976     0.1417      1.008
+   977         CA     63    TRP    CZ3    977    -0.1972      12.01
+   978         HA     63    TRP    HZ3    978     0.1447      1.008
+   979         CA     63    TRP    CE3    979    -0.2387      12.01
+   980         HA     63    TRP    HE3    980       0.17      1.008
+   981         CB     63    TRP    CD2    981     0.1243      12.01
+   982          C     63    TRP      C    982     0.5973      12.01
+   983          O     63    TRP      O    983    -0.5679         16   ; qtot 4
+; residue  64 CYS rtp CYX  q  0.0
+   984          N     64    CYS      N    984    -0.4157      14.01
+   985          H     64    CYS      H    985     0.2719      1.008
+   986         CT     64    CYS     CA    986     0.0429      12.01
+   987         H1     64    CYS     HA    987     0.0766      1.008
+   988         CT     64    CYS     CB    988     -0.079      12.01
+   989         H1     64    CYS    HB1    989      0.091      1.008
+   990         H1     64    CYS    HB2    990      0.091      1.008
+   991          S     64    CYS     SG    991    -0.1081      32.06
+   992          C     64    CYS      C    992     0.5973      12.01
+   993          O     64    CYS      O    993    -0.5679         16   ; qtot 4
+; residue  65 ASN rtp ASN  q  0.0
+   994          N     65    ASN      N    994    -0.4157      14.01
+   995          H     65    ASN      H    995     0.2719      1.008
+   996         CT     65    ASN     CA    996     0.0143      12.01
+   997         H1     65    ASN     HA    997     0.1048      1.008
+   998         CT     65    ASN     CB    998    -0.2041      12.01
+   999         HC     65    ASN    HB1    999     0.0797      1.008
+  1000         HC     65    ASN    HB2   1000     0.0797      1.008
+  1001          C     65    ASN     CG   1001      0.713      12.01
+  1002          O     65    ASN    OD1   1002    -0.5931         16
+  1003          N     65    ASN    ND2   1003    -0.9191      14.01
+  1004          H     65    ASN   HD21   1004     0.4196      1.008
+  1005          H     65    ASN   HD22   1005     0.4196      1.008
+  1006          C     65    ASN      C   1006     0.5973      12.01
+  1007          O     65    ASN      O   1007    -0.5679         16   ; qtot 4
+; residue  66 ASP rtp ASP  q -1.0
+  1008          N     66    ASP      N   1008    -0.5163      14.01
+  1009          H     66    ASP      H   1009     0.2936      1.008
+  1010         CT     66    ASP     CA   1010     0.0381      12.01
+  1011         H1     66    ASP     HA   1011      0.088      1.008
+  1012         CT     66    ASP     CB   1012    -0.0303      12.01
+  1013         HC     66    ASP    HB1   1013    -0.0122      1.008
+  1014         HC     66    ASP    HB2   1014    -0.0122      1.008
+  1015          C     66    ASP     CG   1015     0.7994      12.01
+  1016         O2     66    ASP    OD1   1016    -0.8014         16
+  1017         O2     66    ASP    OD2   1017    -0.8014         16
+  1018          C     66    ASP      C   1018     0.5366      12.01
+  1019          O     66    ASP      O   1019    -0.5819         16   ; qtot 3
+; residue  67 GLY rtp GLY  q  0.0
+  1020          N     67    GLY      N   1020    -0.4157      14.01
+  1021          H     67    GLY      H   1021     0.2719      1.008
+  1022         CT     67    GLY     CA   1022    -0.0252      12.01
+  1023         H1     67    GLY    HA1   1023     0.0698      1.008
+  1024         H1     67    GLY    HA2   1024     0.0698      1.008
+  1025          C     67    GLY      C   1025     0.5973      12.01
+  1026          O     67    GLY      O   1026    -0.5679         16   ; qtot 3
+; residue  68 ARG rtp ARG  q +1.0
+  1027          N     68    ARG      N   1027    -0.3479      14.01
+  1028          H     68    ARG      H   1028     0.2747      1.008
+  1029         CT     68    ARG     CA   1029    -0.2637      12.01
+  1030         H1     68    ARG     HA   1030      0.156      1.008
+  1031         CT     68    ARG     CB   1031    -0.0007      12.01
+  1032         HC     68    ARG    HB1   1032     0.0327      1.008
+  1033         HC     68    ARG    HB2   1033     0.0327      1.008
+  1034         CT     68    ARG     CG   1034      0.039      12.01
+  1035         HC     68    ARG    HG1   1035     0.0285      1.008
+  1036         HC     68    ARG    HG2   1036     0.0285      1.008
+  1037         CT     68    ARG     CD   1037     0.0486      12.01
+  1038         H1     68    ARG    HD1   1038     0.0687      1.008
+  1039         H1     68    ARG    HD2   1039     0.0687      1.008
+  1040         N2     68    ARG     NE   1040    -0.5295      14.01
+  1041          H     68    ARG     HE   1041     0.3456      1.008
+  1042         CA     68    ARG     CZ   1042     0.8076      12.01
+  1043         N2     68    ARG    NH1   1043    -0.8627      14.01
+  1044          H     68    ARG   HH11   1044     0.4478      1.008
+  1045          H     68    ARG   HH12   1045     0.4478      1.008
+  1046         N2     68    ARG    NH2   1046    -0.8627      14.01
+  1047          H     68    ARG   HH21   1047     0.4478      1.008
+  1048          H     68    ARG   HH22   1048     0.4478      1.008
+  1049          C     68    ARG      C   1049     0.7341      12.01
+  1050          O     68    ARG      O   1050    -0.5894         16   ; qtot 4
+; residue  69 THR rtp THR  q  0.0
+  1051          N     69    THR      N   1051    -0.4157      14.01
+  1052          H     69    THR      H   1052     0.2719      1.008
+  1053         CT     69    THR     CA   1053    -0.0389      12.01
+  1054         H1     69    THR     HA   1054     0.1007      1.008
+  1055         CT     69    THR     CB   1055     0.3654      12.01
+  1056         H1     69    THR     HB   1056     0.0043      1.008
+  1057         CT     69    THR    CG2   1057    -0.2438      12.01
+  1058         HC     69    THR   HG21   1058     0.0642      1.008
+  1059         HC     69    THR   HG22   1059     0.0642      1.008
+  1060         HC     69    THR   HG23   1060     0.0642      1.008
+  1061         OH     69    THR    OG1   1061    -0.6761         16
+  1062         HO     69    THR    HG1   1062     0.4102      1.008
+  1063          C     69    THR      C   1063     0.5973      12.01
+  1064          O     69    THR      O   1064    -0.5679         16   ; qtot 4
+; residue  70 PRO rtp PRO  q  0.0
+  1065          N     70    PRO      N   1065    -0.2548      14.01
+  1066         CT     70    PRO     CD   1066     0.0192      12.01
+  1067         H1     70    PRO    HD1   1067     0.0391      1.008
+  1068         H1     70    PRO    HD2   1068     0.0391      1.008
+  1069         CT     70    PRO     CG   1069     0.0189      12.01
+  1070         HC     70    PRO    HG1   1070     0.0213      1.008
+  1071         HC     70    PRO    HG2   1071     0.0213      1.008
+  1072         CT     70    PRO     CB   1072     -0.007      12.01
+  1073         HC     70    PRO    HB1   1073     0.0253      1.008
+  1074         HC     70    PRO    HB2   1074     0.0253      1.008
+  1075         CT     70    PRO     CA   1075    -0.0266      12.01
+  1076         H1     70    PRO     HA   1076     0.0641      1.008
+  1077          C     70    PRO      C   1077     0.5896      12.01
+  1078          O     70    PRO      O   1078    -0.5748         16   ; qtot 4
+; residue  71 GLY rtp GLY  q  0.0
+  1079          N     71    GLY      N   1079    -0.4157      14.01
+  1080          H     71    GLY      H   1080     0.2719      1.008
+  1081         CT     71    GLY     CA   1081    -0.0252      12.01
+  1082         H1     71    GLY    HA1   1082     0.0698      1.008
+  1083         H1     71    GLY    HA2   1083     0.0698      1.008
+  1084          C     71    GLY      C   1084     0.5973      12.01
+  1085          O     71    GLY      O   1085    -0.5679         16   ; qtot 4
+; residue  72 SER rtp SER  q  0.0
+  1086          N     72    SER      N   1086    -0.4157      14.01
+  1087          H     72    SER      H   1087     0.2719      1.008
+  1088         CT     72    SER     CA   1088    -0.0249      12.01
+  1089         H1     72    SER     HA   1089     0.0843      1.008
+  1090         CT     72    SER     CB   1090     0.2117      12.01
+  1091         H1     72    SER    HB1   1091     0.0352      1.008
+  1092         H1     72    SER    HB2   1092     0.0352      1.008
+  1093         OH     72    SER     OG   1093    -0.6546         16
+  1094         HO     72    SER     HG   1094     0.4275      1.008
+  1095          C     72    SER      C   1095     0.5973      12.01
+  1096          O     72    SER      O   1096    -0.5679         16   ; qtot 4
+; residue  73 ARG rtp ARG  q +1.0
+  1097          N     73    ARG      N   1097    -0.3479      14.01
+  1098          H     73    ARG      H   1098     0.2747      1.008
+  1099         CT     73    ARG     CA   1099    -0.2637      12.01
+  1100         H1     73    ARG     HA   1100      0.156      1.008
+  1101         CT     73    ARG     CB   1101    -0.0007      12.01
+  1102         HC     73    ARG    HB1   1102     0.0327      1.008
+  1103         HC     73    ARG    HB2   1103     0.0327      1.008
+  1104         CT     73    ARG     CG   1104      0.039      12.01
+  1105         HC     73    ARG    HG1   1105     0.0285      1.008
+  1106         HC     73    ARG    HG2   1106     0.0285      1.008
+  1107         CT     73    ARG     CD   1107     0.0486      12.01
+  1108         H1     73    ARG    HD1   1108     0.0687      1.008
+  1109         H1     73    ARG    HD2   1109     0.0687      1.008
+  1110         N2     73    ARG     NE   1110    -0.5295      14.01
+  1111          H     73    ARG     HE   1111     0.3456      1.008
+  1112         CA     73    ARG     CZ   1112     0.8076      12.01
+  1113         N2     73    ARG    NH1   1113    -0.8627      14.01
+  1114          H     73    ARG   HH11   1114     0.4478      1.008
+  1115          H     73    ARG   HH12   1115     0.4478      1.008
+  1116         N2     73    ARG    NH2   1116    -0.8627      14.01
+  1117          H     73    ARG   HH21   1117     0.4478      1.008
+  1118          H     73    ARG   HH22   1118     0.4478      1.008
+  1119          C     73    ARG      C   1119     0.7341      12.01
+  1120          O     73    ARG      O   1120    -0.5894         16   ; qtot 5
+; residue  74 ASN rtp ASN  q  0.0
+  1121          N     74    ASN      N   1121    -0.4157      14.01
+  1122          H     74    ASN      H   1122     0.2719      1.008
+  1123         CT     74    ASN     CA   1123     0.0143      12.01
+  1124         H1     74    ASN     HA   1124     0.1048      1.008
+  1125         CT     74    ASN     CB   1125    -0.2041      12.01
+  1126         HC     74    ASN    HB1   1126     0.0797      1.008
+  1127         HC     74    ASN    HB2   1127     0.0797      1.008
+  1128          C     74    ASN     CG   1128      0.713      12.01
+  1129          O     74    ASN    OD1   1129    -0.5931         16
+  1130          N     74    ASN    ND2   1130    -0.9191      14.01
+  1131          H     74    ASN   HD21   1131     0.4196      1.008
+  1132          H     74    ASN   HD22   1132     0.4196      1.008
+  1133          C     74    ASN      C   1133     0.5973      12.01
+  1134          O     74    ASN      O   1134    -0.5679         16   ; qtot 5
+; residue  75 LEU rtp LEU  q  0.0
+  1135          N     75    LEU      N   1135    -0.4157      14.01
+  1136          H     75    LEU      H   1136     0.2719      1.008
+  1137         CT     75    LEU     CA   1137    -0.0518      12.01
+  1138         H1     75    LEU     HA   1138     0.0922      1.008
+  1139         CT     75    LEU     CB   1139    -0.1102      12.01
+  1140         HC     75    LEU    HB1   1140     0.0457      1.008
+  1141         HC     75    LEU    HB2   1141     0.0457      1.008
+  1142         CT     75    LEU     CG   1142     0.3531      12.01
+  1143         HC     75    LEU     HG   1143    -0.0361      1.008
+  1144         CT     75    LEU    CD1   1144    -0.4121      12.01
+  1145         HC     75    LEU   HD11   1145        0.1      1.008
+  1146         HC     75    LEU   HD12   1146        0.1      1.008
+  1147         HC     75    LEU   HD13   1147        0.1      1.008
+  1148         CT     75    LEU    CD2   1148    -0.4121      12.01
+  1149         HC     75    LEU   HD21   1149        0.1      1.008
+  1150         HC     75    LEU   HD22   1150        0.1      1.008
+  1151         HC     75    LEU   HD23   1151        0.1      1.008
+  1152          C     75    LEU      C   1152     0.5973      12.01
+  1153          O     75    LEU      O   1153    -0.5679         16   ; qtot 5
+; residue  76 CYS rtp CYX  q  0.0
+  1154          N     76    CYS      N   1154    -0.4157      14.01
+  1155          H     76    CYS      H   1155     0.2719      1.008
+  1156         CT     76    CYS     CA   1156     0.0429      12.01
+  1157         H1     76    CYS     HA   1157     0.0766      1.008
+  1158         CT     76    CYS     CB   1158     -0.079      12.01
+  1159         H1     76    CYS    HB1   1159      0.091      1.008
+  1160         H1     76    CYS    HB2   1160      0.091      1.008
+  1161          S     76    CYS     SG   1161    -0.1081      32.06
+  1162          C     76    CYS      C   1162     0.5973      12.01
+  1163          O     76    CYS      O   1163    -0.5679         16   ; qtot 5
+; residue  77 ASN rtp ASN  q  0.0
+  1164          N     77    ASN      N   1164    -0.4157      14.01
+  1165          H     77    ASN      H   1165     0.2719      1.008
+  1166         CT     77    ASN     CA   1166     0.0143      12.01
+  1167         H1     77    ASN     HA   1167     0.1048      1.008
+  1168         CT     77    ASN     CB   1168    -0.2041      12.01
+  1169         HC     77    ASN    HB1   1169     0.0797      1.008
+  1170         HC     77    ASN    HB2   1170     0.0797      1.008
+  1171          C     77    ASN     CG   1171      0.713      12.01
+  1172          O     77    ASN    OD1   1172    -0.5931         16
+  1173          N     77    ASN    ND2   1173    -0.9191      14.01
+  1174          H     77    ASN   HD21   1174     0.4196      1.008
+  1175          H     77    ASN   HD22   1175     0.4196      1.008
+  1176          C     77    ASN      C   1176     0.5973      12.01
+  1177          O     77    ASN      O   1177    -0.5679         16   ; qtot 5
+; residue  78 ILE rtp ILE  q  0.0
+  1178          N     78    ILE      N   1178    -0.4157      14.01
+  1179          H     78    ILE      H   1179     0.2719      1.008
+  1180         CT     78    ILE     CA   1180    -0.0597      12.01
+  1181         H1     78    ILE     HA   1181     0.0869      1.008
+  1182         CT     78    ILE     CB   1182     0.1303      12.01
+  1183         HC     78    ILE     HB   1183     0.0187      1.008
+  1184         CT     78    ILE    CG2   1184    -0.3204      12.01
+  1185         HC     78    ILE   HG21   1185     0.0882      1.008
+  1186         HC     78    ILE   HG22   1186     0.0882      1.008
+  1187         HC     78    ILE   HG23   1187     0.0882      1.008
+  1188         CT     78    ILE    CG1   1188     -0.043      12.01
+  1189         HC     78    ILE   HG11   1189     0.0236      1.008
+  1190         HC     78    ILE   HG12   1190     0.0236      1.008
+  1191         CT     78    ILE     CD   1191     -0.066      12.01
+  1192         HC     78    ILE    HD1   1192     0.0186      1.008
+  1193         HC     78    ILE    HD2   1193     0.0186      1.008
+  1194         HC     78    ILE    HD3   1194     0.0186      1.008
+  1195          C     78    ILE      C   1195     0.5973      12.01
+  1196          O     78    ILE      O   1196    -0.5679         16   ; qtot 5
+; residue  79 PRO rtp PRO  q  0.0
+  1197          N     79    PRO      N   1197    -0.2548      14.01
+  1198         CT     79    PRO     CD   1198     0.0192      12.01
+  1199         H1     79    PRO    HD1   1199     0.0391      1.008
+  1200         H1     79    PRO    HD2   1200     0.0391      1.008
+  1201         CT     79    PRO     CG   1201     0.0189      12.01
+  1202         HC     79    PRO    HG1   1202     0.0213      1.008
+  1203         HC     79    PRO    HG2   1203     0.0213      1.008
+  1204         CT     79    PRO     CB   1204     -0.007      12.01
+  1205         HC     79    PRO    HB1   1205     0.0253      1.008
+  1206         HC     79    PRO    HB2   1206     0.0253      1.008
+  1207         CT     79    PRO     CA   1207    -0.0266      12.01
+  1208         H1     79    PRO     HA   1208     0.0641      1.008
+  1209          C     79    PRO      C   1209     0.5896      12.01
+  1210          O     79    PRO      O   1210    -0.5748         16   ; qtot 5
+; residue  80 CYS rtp CYX  q  0.0
+  1211          N     80    CYS      N   1211    -0.4157      14.01
+  1212          H     80    CYS      H   1212     0.2719      1.008
+  1213         CT     80    CYS     CA   1213     0.0429      12.01
+  1214         H1     80    CYS     HA   1214     0.0766      1.008
+  1215         CT     80    CYS     CB   1215     -0.079      12.01
+  1216         H1     80    CYS    HB1   1216      0.091      1.008
+  1217         H1     80    CYS    HB2   1217      0.091      1.008
+  1218          S     80    CYS     SG   1218    -0.1081      32.06
+  1219          C     80    CYS      C   1219     0.5973      12.01
+  1220          O     80    CYS      O   1220    -0.5679         16   ; qtot 5
+; residue  81 SER rtp SER  q  0.0
+  1221          N     81    SER      N   1221    -0.4157      14.01
+  1222          H     81    SER      H   1222     0.2719      1.008
+  1223         CT     81    SER     CA   1223    -0.0249      12.01
+  1224         H1     81    SER     HA   1224     0.0843      1.008
+  1225         CT     81    SER     CB   1225     0.2117      12.01
+  1226         H1     81    SER    HB1   1226     0.0352      1.008
+  1227         H1     81    SER    HB2   1227     0.0352      1.008
+  1228         OH     81    SER     OG   1228    -0.6546         16
+  1229         HO     81    SER     HG   1229     0.4275      1.008
+  1230          C     81    SER      C   1230     0.5973      12.01
+  1231          O     81    SER      O   1231    -0.5679         16   ; qtot 5
+; residue  82 ALA rtp ALA  q  0.0
+  1232          N     82    ALA      N   1232    -0.4157      14.01
+  1233          H     82    ALA      H   1233     0.2719      1.008
+  1234         CT     82    ALA     CA   1234     0.0337      12.01
+  1235         H1     82    ALA     HA   1235     0.0823      1.008
+  1236         CT     82    ALA     CB   1236    -0.1825      12.01
+  1237         HC     82    ALA    HB1   1237     0.0603      1.008
+  1238         HC     82    ALA    HB2   1238     0.0603      1.008
+  1239         HC     82    ALA    HB3   1239     0.0603      1.008
+  1240          C     82    ALA      C   1240     0.5973      12.01
+  1241          O     82    ALA      O   1241    -0.5679         16   ; qtot 5
+; residue  83 LEU rtp LEU  q  0.0
+  1242          N     83    LEU      N   1242    -0.4157      14.01
+  1243          H     83    LEU      H   1243     0.2719      1.008
+  1244         CT     83    LEU     CA   1244    -0.0518      12.01
+  1245         H1     83    LEU     HA   1245     0.0922      1.008
+  1246         CT     83    LEU     CB   1246    -0.1102      12.01
+  1247         HC     83    LEU    HB1   1247     0.0457      1.008
+  1248         HC     83    LEU    HB2   1248     0.0457      1.008
+  1249         CT     83    LEU     CG   1249     0.3531      12.01
+  1250         HC     83    LEU     HG   1250    -0.0361      1.008
+  1251         CT     83    LEU    CD1   1251    -0.4121      12.01
+  1252         HC     83    LEU   HD11   1252        0.1      1.008
+  1253         HC     83    LEU   HD12   1253        0.1      1.008
+  1254         HC     83    LEU   HD13   1254        0.1      1.008
+  1255         CT     83    LEU    CD2   1255    -0.4121      12.01
+  1256         HC     83    LEU   HD21   1256        0.1      1.008
+  1257         HC     83    LEU   HD22   1257        0.1      1.008
+  1258         HC     83    LEU   HD23   1258        0.1      1.008
+  1259          C     83    LEU      C   1259     0.5973      12.01
+  1260          O     83    LEU      O   1260    -0.5679         16   ; qtot 5
+; residue  84 LEU rtp LEU  q  0.0
+  1261          N     84    LEU      N   1261    -0.4157      14.01
+  1262          H     84    LEU      H   1262     0.2719      1.008
+  1263         CT     84    LEU     CA   1263    -0.0518      12.01
+  1264         H1     84    LEU     HA   1264     0.0922      1.008
+  1265         CT     84    LEU     CB   1265    -0.1102      12.01
+  1266         HC     84    LEU    HB1   1266     0.0457      1.008
+  1267         HC     84    LEU    HB2   1267     0.0457      1.008
+  1268         CT     84    LEU     CG   1268     0.3531      12.01
+  1269         HC     84    LEU     HG   1269    -0.0361      1.008
+  1270         CT     84    LEU    CD1   1270    -0.4121      12.01
+  1271         HC     84    LEU   HD11   1271        0.1      1.008
+  1272         HC     84    LEU   HD12   1272        0.1      1.008
+  1273         HC     84    LEU   HD13   1273        0.1      1.008
+  1274         CT     84    LEU    CD2   1274    -0.4121      12.01
+  1275         HC     84    LEU   HD21   1275        0.1      1.008
+  1276         HC     84    LEU   HD22   1276        0.1      1.008
+  1277         HC     84    LEU   HD23   1277        0.1      1.008
+  1278          C     84    LEU      C   1278     0.5973      12.01
+  1279          O     84    LEU      O   1279    -0.5679         16   ; qtot 5
+; residue  85 SER rtp SER  q  0.0
+  1280          N     85    SER      N   1280    -0.4157      14.01
+  1281          H     85    SER      H   1281     0.2719      1.008
+  1282         CT     85    SER     CA   1282    -0.0249      12.01
+  1283         H1     85    SER     HA   1283     0.0843      1.008
+  1284         CT     85    SER     CB   1284     0.2117      12.01
+  1285         H1     85    SER    HB1   1285     0.0352      1.008
+  1286         H1     85    SER    HB2   1286     0.0352      1.008
+  1287         OH     85    SER     OG   1287    -0.6546         16
+  1288         HO     85    SER     HG   1288     0.4275      1.008
+  1289          C     85    SER      C   1289     0.5973      12.01
+  1290          O     85    SER      O   1290    -0.5679         16   ; qtot 5
+; residue  86 SER rtp SER  q  0.0
+  1291          N     86    SER      N   1291    -0.4157      14.01
+  1292          H     86    SER      H   1292     0.2719      1.008
+  1293         CT     86    SER     CA   1293    -0.0249      12.01
+  1294         H1     86    SER     HA   1294     0.0843      1.008
+  1295         CT     86    SER     CB   1295     0.2117      12.01
+  1296         H1     86    SER    HB1   1296     0.0352      1.008
+  1297         H1     86    SER    HB2   1297     0.0352      1.008
+  1298         OH     86    SER     OG   1298    -0.6546         16
+  1299         HO     86    SER     HG   1299     0.4275      1.008
+  1300          C     86    SER      C   1300     0.5973      12.01
+  1301          O     86    SER      O   1301    -0.5679         16   ; qtot 5
+; residue  87 ASP rtp ASP  q -1.0
+  1302          N     87    ASP      N   1302    -0.5163      14.01
+  1303          H     87    ASP      H   1303     0.2936      1.008
+  1304         CT     87    ASP     CA   1304     0.0381      12.01
+  1305         H1     87    ASP     HA   1305      0.088      1.008
+  1306         CT     87    ASP     CB   1306    -0.0303      12.01
+  1307         HC     87    ASP    HB1   1307    -0.0122      1.008
+  1308         HC     87    ASP    HB2   1308    -0.0122      1.008
+  1309          C     87    ASP     CG   1309     0.7994      12.01
+  1310         O2     87    ASP    OD1   1310    -0.8014         16
+  1311         O2     87    ASP    OD2   1311    -0.8014         16
+  1312          C     87    ASP      C   1312     0.5366      12.01
+  1313          O     87    ASP      O   1313    -0.5819         16   ; qtot 4
+; residue  88 ILE rtp ILE  q  0.0
+  1314          N     88    ILE      N   1314    -0.4157      14.01
+  1315          H     88    ILE      H   1315     0.2719      1.008
+  1316         CT     88    ILE     CA   1316    -0.0597      12.01
+  1317         H1     88    ILE     HA   1317     0.0869      1.008
+  1318         CT     88    ILE     CB   1318     0.1303      12.01
+  1319         HC     88    ILE     HB   1319     0.0187      1.008
+  1320         CT     88    ILE    CG2   1320    -0.3204      12.01
+  1321         HC     88    ILE   HG21   1321     0.0882      1.008
+  1322         HC     88    ILE   HG22   1322     0.0882      1.008
+  1323         HC     88    ILE   HG23   1323     0.0882      1.008
+  1324         CT     88    ILE    CG1   1324     -0.043      12.01
+  1325         HC     88    ILE   HG11   1325     0.0236      1.008
+  1326         HC     88    ILE   HG12   1326     0.0236      1.008
+  1327         CT     88    ILE     CD   1327     -0.066      12.01
+  1328         HC     88    ILE    HD1   1328     0.0186      1.008
+  1329         HC     88    ILE    HD2   1329     0.0186      1.008
+  1330         HC     88    ILE    HD3   1330     0.0186      1.008
+  1331          C     88    ILE      C   1331     0.5973      12.01
+  1332          O     88    ILE      O   1332    -0.5679         16   ; qtot 4
+; residue  89 THR rtp THR  q  0.0
+  1333          N     89    THR      N   1333    -0.4157      14.01
+  1334          H     89    THR      H   1334     0.2719      1.008
+  1335         CT     89    THR     CA   1335    -0.0389      12.01
+  1336         H1     89    THR     HA   1336     0.1007      1.008
+  1337         CT     89    THR     CB   1337     0.3654      12.01
+  1338         H1     89    THR     HB   1338     0.0043      1.008
+  1339         CT     89    THR    CG2   1339    -0.2438      12.01
+  1340         HC     89    THR   HG21   1340     0.0642      1.008
+  1341         HC     89    THR   HG22   1341     0.0642      1.008
+  1342         HC     89    THR   HG23   1342     0.0642      1.008
+  1343         OH     89    THR    OG1   1343    -0.6761         16
+  1344         HO     89    THR    HG1   1344     0.4102      1.008
+  1345          C     89    THR      C   1345     0.5973      12.01
+  1346          O     89    THR      O   1346    -0.5679         16   ; qtot 4
+; residue  90 ALA rtp ALA  q  0.0
+  1347          N     90    ALA      N   1347    -0.4157      14.01
+  1348          H     90    ALA      H   1348     0.2719      1.008
+  1349         CT     90    ALA     CA   1349     0.0337      12.01
+  1350         H1     90    ALA     HA   1350     0.0823      1.008
+  1351         CT     90    ALA     CB   1351    -0.1825      12.01
+  1352         HC     90    ALA    HB1   1352     0.0603      1.008
+  1353         HC     90    ALA    HB2   1353     0.0603      1.008
+  1354         HC     90    ALA    HB3   1354     0.0603      1.008
+  1355          C     90    ALA      C   1355     0.5973      12.01
+  1356          O     90    ALA      O   1356    -0.5679         16   ; qtot 4
+; residue  91 SER rtp SER  q  0.0
+  1357          N     91    SER      N   1357    -0.4157      14.01
+  1358          H     91    SER      H   1358     0.2719      1.008
+  1359         CT     91    SER     CA   1359    -0.0249      12.01
+  1360         H1     91    SER     HA   1360     0.0843      1.008
+  1361         CT     91    SER     CB   1361     0.2117      12.01
+  1362         H1     91    SER    HB1   1362     0.0352      1.008
+  1363         H1     91    SER    HB2   1363     0.0352      1.008
+  1364         OH     91    SER     OG   1364    -0.6546         16
+  1365         HO     91    SER     HG   1365     0.4275      1.008
+  1366          C     91    SER      C   1366     0.5973      12.01
+  1367          O     91    SER      O   1367    -0.5679         16   ; qtot 4
+; residue  92 VAL rtp VAL  q  0.0
+  1368          N     92    VAL      N   1368    -0.4157      14.01
+  1369          H     92    VAL      H   1369     0.2719      1.008
+  1370         CT     92    VAL     CA   1370    -0.0875      12.01
+  1371         H1     92    VAL     HA   1371     0.0969      1.008
+  1372         CT     92    VAL     CB   1372     0.2985      12.01
+  1373         HC     92    VAL     HB   1373    -0.0297      1.008
+  1374         CT     92    VAL    CG1   1374    -0.3192      12.01
+  1375         HC     92    VAL   HG11   1375     0.0791      1.008
+  1376         HC     92    VAL   HG12   1376     0.0791      1.008
+  1377         HC     92    VAL   HG13   1377     0.0791      1.008
+  1378         CT     92    VAL    CG2   1378    -0.3192      12.01
+  1379         HC     92    VAL   HG21   1379     0.0791      1.008
+  1380         HC     92    VAL   HG22   1380     0.0791      1.008
+  1381         HC     92    VAL   HG23   1381     0.0791      1.008
+  1382          C     92    VAL      C   1382     0.5973      12.01
+  1383          O     92    VAL      O   1383    -0.5679         16   ; qtot 4
+; residue  93 ASN rtp ASN  q  0.0
+  1384          N     93    ASN      N   1384    -0.4157      14.01
+  1385          H     93    ASN      H   1385     0.2719      1.008
+  1386         CT     93    ASN     CA   1386     0.0143      12.01
+  1387         H1     93    ASN     HA   1387     0.1048      1.008
+  1388         CT     93    ASN     CB   1388    -0.2041      12.01
+  1389         HC     93    ASN    HB1   1389     0.0797      1.008
+  1390         HC     93    ASN    HB2   1390     0.0797      1.008
+  1391          C     93    ASN     CG   1391      0.713      12.01
+  1392          O     93    ASN    OD1   1392    -0.5931         16
+  1393          N     93    ASN    ND2   1393    -0.9191      14.01
+  1394          H     93    ASN   HD21   1394     0.4196      1.008
+  1395          H     93    ASN   HD22   1395     0.4196      1.008
+  1396          C     93    ASN      C   1396     0.5973      12.01
+  1397          O     93    ASN      O   1397    -0.5679         16   ; qtot 4
+; residue  94 CYS rtp CYX  q  0.0
+  1398          N     94    CYS      N   1398    -0.4157      14.01
+  1399          H     94    CYS      H   1399     0.2719      1.008
+  1400         CT     94    CYS     CA   1400     0.0429      12.01
+  1401         H1     94    CYS     HA   1401     0.0766      1.008
+  1402         CT     94    CYS     CB   1402     -0.079      12.01
+  1403         H1     94    CYS    HB1   1403      0.091      1.008
+  1404         H1     94    CYS    HB2   1404      0.091      1.008
+  1405          S     94    CYS     SG   1405    -0.1081      32.06
+  1406          C     94    CYS      C   1406     0.5973      12.01
+  1407          O     94    CYS      O   1407    -0.5679         16   ; qtot 4
+; residue  95 ALA rtp ALA  q  0.0
+  1408          N     95    ALA      N   1408    -0.4157      14.01
+  1409          H     95    ALA      H   1409     0.2719      1.008
+  1410         CT     95    ALA     CA   1410     0.0337      12.01
+  1411         H1     95    ALA     HA   1411     0.0823      1.008
+  1412         CT     95    ALA     CB   1412    -0.1825      12.01
+  1413         HC     95    ALA    HB1   1413     0.0603      1.008
+  1414         HC     95    ALA    HB2   1414     0.0603      1.008
+  1415         HC     95    ALA    HB3   1415     0.0603      1.008
+  1416          C     95    ALA      C   1416     0.5973      12.01
+  1417          O     95    ALA      O   1417    -0.5679         16   ; qtot 4
+; residue  96 LYS rtp LYS  q +1.0
+  1418          N     96    LYS      N   1418    -0.3479      14.01
+  1419          H     96    LYS      H   1419     0.2747      1.008
+  1420         CT     96    LYS     CA   1420      -0.24      12.01
+  1421         H1     96    LYS     HA   1421     0.1426      1.008
+  1422         CT     96    LYS     CB   1422    -0.0094      12.01
+  1423         HC     96    LYS    HB1   1423     0.0362      1.008
+  1424         HC     96    LYS    HB2   1424     0.0362      1.008
+  1425         CT     96    LYS     CG   1425     0.0187      12.01
+  1426         HC     96    LYS    HG1   1426     0.0103      1.008
+  1427         HC     96    LYS    HG2   1427     0.0103      1.008
+  1428         CT     96    LYS     CD   1428    -0.0479      12.01
+  1429         HC     96    LYS    HD1   1429     0.0621      1.008
+  1430         HC     96    LYS    HD2   1430     0.0621      1.008
+  1431         CT     96    LYS     CE   1431    -0.0143      12.01
+  1432         HP     96    LYS    HE1   1432     0.1135      1.008
+  1433         HP     96    LYS    HE2   1433     0.1135      1.008
+  1434         N3     96    LYS     NZ   1434    -0.3854      14.01
+  1435          H     96    LYS    HZ1   1435       0.34      1.008
+  1436          H     96    LYS    HZ2   1436       0.34      1.008
+  1437          H     96    LYS    HZ3   1437       0.34      1.008
+  1438          C     96    LYS      C   1438     0.7341      12.01
+  1439          O     96    LYS      O   1439    -0.5894         16   ; qtot 5
+; residue  97 LYS rtp LYS  q +1.0
+  1440          N     97    LYS      N   1440    -0.3479      14.01
+  1441          H     97    LYS      H   1441     0.2747      1.008
+  1442         CT     97    LYS     CA   1442      -0.24      12.01
+  1443         H1     97    LYS     HA   1443     0.1426      1.008
+  1444         CT     97    LYS     CB   1444    -0.0094      12.01
+  1445         HC     97    LYS    HB1   1445     0.0362      1.008
+  1446         HC     97    LYS    HB2   1446     0.0362      1.008
+  1447         CT     97    LYS     CG   1447     0.0187      12.01
+  1448         HC     97    LYS    HG1   1448     0.0103      1.008
+  1449         HC     97    LYS    HG2   1449     0.0103      1.008
+  1450         CT     97    LYS     CD   1450    -0.0479      12.01
+  1451         HC     97    LYS    HD1   1451     0.0621      1.008
+  1452         HC     97    LYS    HD2   1452     0.0621      1.008
+  1453         CT     97    LYS     CE   1453    -0.0143      12.01
+  1454         HP     97    LYS    HE1   1454     0.1135      1.008
+  1455         HP     97    LYS    HE2   1455     0.1135      1.008
+  1456         N3     97    LYS     NZ   1456    -0.3854      14.01
+  1457          H     97    LYS    HZ1   1457       0.34      1.008
+  1458          H     97    LYS    HZ2   1458       0.34      1.008
+  1459          H     97    LYS    HZ3   1459       0.34      1.008
+  1460          C     97    LYS      C   1460     0.7341      12.01
+  1461          O     97    LYS      O   1461    -0.5894         16   ; qtot 6
+; residue  98 ILE rtp ILE  q  0.0
+  1462          N     98    ILE      N   1462    -0.4157      14.01
+  1463          H     98    ILE      H   1463     0.2719      1.008
+  1464         CT     98    ILE     CA   1464    -0.0597      12.01
+  1465         H1     98    ILE     HA   1465     0.0869      1.008
+  1466         CT     98    ILE     CB   1466     0.1303      12.01
+  1467         HC     98    ILE     HB   1467     0.0187      1.008
+  1468         CT     98    ILE    CG2   1468    -0.3204      12.01
+  1469         HC     98    ILE   HG21   1469     0.0882      1.008
+  1470         HC     98    ILE   HG22   1470     0.0882      1.008
+  1471         HC     98    ILE   HG23   1471     0.0882      1.008
+  1472         CT     98    ILE    CG1   1472     -0.043      12.01
+  1473         HC     98    ILE   HG11   1473     0.0236      1.008
+  1474         HC     98    ILE   HG12   1474     0.0236      1.008
+  1475         CT     98    ILE     CD   1475     -0.066      12.01
+  1476         HC     98    ILE    HD1   1476     0.0186      1.008
+  1477         HC     98    ILE    HD2   1477     0.0186      1.008
+  1478         HC     98    ILE    HD3   1478     0.0186      1.008
+  1479          C     98    ILE      C   1479     0.5973      12.01
+  1480          O     98    ILE      O   1480    -0.5679         16   ; qtot 6
+; residue  99 VAL rtp VAL  q  0.0
+  1481          N     99    VAL      N   1481    -0.4157      14.01
+  1482          H     99    VAL      H   1482     0.2719      1.008
+  1483         CT     99    VAL     CA   1483    -0.0875      12.01
+  1484         H1     99    VAL     HA   1484     0.0969      1.008
+  1485         CT     99    VAL     CB   1485     0.2985      12.01
+  1486         HC     99    VAL     HB   1486    -0.0297      1.008
+  1487         CT     99    VAL    CG1   1487    -0.3192      12.01
+  1488         HC     99    VAL   HG11   1488     0.0791      1.008
+  1489         HC     99    VAL   HG12   1489     0.0791      1.008
+  1490         HC     99    VAL   HG13   1490     0.0791      1.008
+  1491         CT     99    VAL    CG2   1491    -0.3192      12.01
+  1492         HC     99    VAL   HG21   1492     0.0791      1.008
+  1493         HC     99    VAL   HG22   1493     0.0791      1.008
+  1494         HC     99    VAL   HG23   1494     0.0791      1.008
+  1495          C     99    VAL      C   1495     0.5973      12.01
+  1496          O     99    VAL      O   1496    -0.5679         16   ; qtot 6
+; residue 100 SER rtp SER  q  0.0
+  1497          N    100    SER      N   1497    -0.4157      14.01
+  1498          H    100    SER      H   1498     0.2719      1.008
+  1499         CT    100    SER     CA   1499    -0.0249      12.01
+  1500         H1    100    SER     HA   1500     0.0843      1.008
+  1501         CT    100    SER     CB   1501     0.2117      12.01
+  1502         H1    100    SER    HB1   1502     0.0352      1.008
+  1503         H1    100    SER    HB2   1503     0.0352      1.008
+  1504         OH    100    SER     OG   1504    -0.6546         16
+  1505         HO    100    SER     HG   1505     0.4275      1.008
+  1506          C    100    SER      C   1506     0.5973      12.01
+  1507          O    100    SER      O   1507    -0.5679         16   ; qtot 6
+; residue 101 ASP rtp ASP  q -1.0
+  1508          N    101    ASP      N   1508    -0.5163      14.01
+  1509          H    101    ASP      H   1509     0.2936      1.008
+  1510         CT    101    ASP     CA   1510     0.0381      12.01
+  1511         H1    101    ASP     HA   1511      0.088      1.008
+  1512         CT    101    ASP     CB   1512    -0.0303      12.01
+  1513         HC    101    ASP    HB1   1513    -0.0122      1.008
+  1514         HC    101    ASP    HB2   1514    -0.0122      1.008
+  1515          C    101    ASP     CG   1515     0.7994      12.01
+  1516         O2    101    ASP    OD1   1516    -0.8014         16
+  1517         O2    101    ASP    OD2   1517    -0.8014         16
+  1518          C    101    ASP      C   1518     0.5366      12.01
+  1519          O    101    ASP      O   1519    -0.5819         16   ; qtot 5
+; residue 102 GLY rtp GLY  q  0.0
+  1520          N    102    GLY      N   1520    -0.4157      14.01
+  1521          H    102    GLY      H   1521     0.2719      1.008
+  1522         CT    102    GLY     CA   1522    -0.0252      12.01
+  1523         H1    102    GLY    HA1   1523     0.0698      1.008
+  1524         H1    102    GLY    HA2   1524     0.0698      1.008
+  1525          C    102    GLY      C   1525     0.5973      12.01
+  1526          O    102    GLY      O   1526    -0.5679         16   ; qtot 5
+; residue 103 ASN rtp ASN  q  0.0
+  1527          N    103    ASN      N   1527    -0.4157      14.01
+  1528          H    103    ASN      H   1528     0.2719      1.008
+  1529         CT    103    ASN     CA   1529     0.0143      12.01
+  1530         H1    103    ASN     HA   1530     0.1048      1.008
+  1531         CT    103    ASN     CB   1531    -0.2041      12.01
+  1532         HC    103    ASN    HB1   1532     0.0797      1.008
+  1533         HC    103    ASN    HB2   1533     0.0797      1.008
+  1534          C    103    ASN     CG   1534      0.713      12.01
+  1535          O    103    ASN    OD1   1535    -0.5931         16
+  1536          N    103    ASN    ND2   1536    -0.9191      14.01
+  1537          H    103    ASN   HD21   1537     0.4196      1.008
+  1538          H    103    ASN   HD22   1538     0.4196      1.008
+  1539          C    103    ASN      C   1539     0.5973      12.01
+  1540          O    103    ASN      O   1540    -0.5679         16   ; qtot 5
+; residue 104 GLY rtp GLY  q  0.0
+  1541          N    104    GLY      N   1541    -0.4157      14.01
+  1542          H    104    GLY      H   1542     0.2719      1.008
+  1543         CT    104    GLY     CA   1543    -0.0252      12.01
+  1544         H1    104    GLY    HA1   1544     0.0698      1.008
+  1545         H1    104    GLY    HA2   1545     0.0698      1.008
+  1546          C    104    GLY      C   1546     0.5973      12.01
+  1547          O    104    GLY      O   1547    -0.5679         16   ; qtot 5
+; residue 105 MET rtp MET  q  0.0
+  1548          N    105    MET      N   1548    -0.4157      14.01
+  1549          H    105    MET      H   1549     0.2719      1.008
+  1550         CT    105    MET     CA   1550    -0.0237      12.01
+  1551         H1    105    MET     HA   1551      0.088      1.008
+  1552         CT    105    MET     CB   1552     0.0342      12.01
+  1553         HC    105    MET    HB1   1553     0.0241      1.008
+  1554         HC    105    MET    HB2   1554     0.0241      1.008
+  1555         CT    105    MET     CG   1555     0.0018      12.01
+  1556         H1    105    MET    HG1   1556      0.044      1.008
+  1557         H1    105    MET    HG2   1557      0.044      1.008
+  1558          S    105    MET     SD   1558    -0.2737      32.06
+  1559         CT    105    MET     CE   1559    -0.0536      12.01
+  1560         H1    105    MET    HE1   1560     0.0684      1.008
+  1561         H1    105    MET    HE2   1561     0.0684      1.008
+  1562         H1    105    MET    HE3   1562     0.0684      1.008
+  1563          C    105    MET      C   1563     0.5973      12.01
+  1564          O    105    MET      O   1564    -0.5679         16   ; qtot 5
+; residue 106 ASN rtp ASN  q  0.0
+  1565          N    106    ASN      N   1565    -0.4157      14.01
+  1566          H    106    ASN      H   1566     0.2719      1.008
+  1567         CT    106    ASN     CA   1567     0.0143      12.01
+  1568         H1    106    ASN     HA   1568     0.1048      1.008
+  1569         CT    106    ASN     CB   1569    -0.2041      12.01
+  1570         HC    106    ASN    HB1   1570     0.0797      1.008
+  1571         HC    106    ASN    HB2   1571     0.0797      1.008
+  1572          C    106    ASN     CG   1572      0.713      12.01
+  1573          O    106    ASN    OD1   1573    -0.5931         16
+  1574          N    106    ASN    ND2   1574    -0.9191      14.01
+  1575          H    106    ASN   HD21   1575     0.4196      1.008
+  1576          H    106    ASN   HD22   1576     0.4196      1.008
+  1577          C    106    ASN      C   1577     0.5973      12.01
+  1578          O    106    ASN      O   1578    -0.5679         16   ; qtot 5
+; residue 107 ALA rtp ALA  q  0.0
+  1579          N    107    ALA      N   1579    -0.4157      14.01
+  1580          H    107    ALA      H   1580     0.2719      1.008
+  1581         CT    107    ALA     CA   1581     0.0337      12.01
+  1582         H1    107    ALA     HA   1582     0.0823      1.008
+  1583         CT    107    ALA     CB   1583    -0.1825      12.01
+  1584         HC    107    ALA    HB1   1584     0.0603      1.008
+  1585         HC    107    ALA    HB2   1585     0.0603      1.008
+  1586         HC    107    ALA    HB3   1586     0.0603      1.008
+  1587          C    107    ALA      C   1587     0.5973      12.01
+  1588          O    107    ALA      O   1588    -0.5679         16   ; qtot 5
+; residue 108 TRP rtp TRP  q  0.0
+  1589          N    108    TRP      N   1589    -0.4157      14.01
+  1590          H    108    TRP      H   1590     0.2719      1.008
+  1591         CT    108    TRP     CA   1591    -0.0275      12.01
+  1592         H1    108    TRP     HA   1592     0.1123      1.008
+  1593         CT    108    TRP     CB   1593     -0.005      12.01
+  1594         HC    108    TRP    HB1   1594     0.0339      1.008
+  1595         HC    108    TRP    HB2   1595     0.0339      1.008
+  1596         C*    108    TRP     CG   1596    -0.1415      12.01
+  1597         CW    108    TRP    CD1   1597    -0.1638      12.01
+  1598         H4    108    TRP    HD1   1598     0.2062      1.008
+  1599         NA    108    TRP    NE1   1599    -0.3418      14.01
+  1600          H    108    TRP    HE1   1600     0.3412      1.008
+  1601         CN    108    TRP    CE2   1601      0.138      12.01
+  1602         CA    108    TRP    CZ2   1602    -0.2601      12.01
+  1603         HA    108    TRP    HZ2   1603     0.1572      1.008
+  1604         CA    108    TRP    CH2   1604    -0.1134      12.01
+  1605         HA    108    TRP    HH2   1605     0.1417      1.008
+  1606         CA    108    TRP    CZ3   1606    -0.1972      12.01
+  1607         HA    108    TRP    HZ3   1607     0.1447      1.008
+  1608         CA    108    TRP    CE3   1608    -0.2387      12.01
+  1609         HA    108    TRP    HE3   1609       0.17      1.008
+  1610         CB    108    TRP    CD2   1610     0.1243      12.01
+  1611          C    108    TRP      C   1611     0.5973      12.01
+  1612          O    108    TRP      O   1612    -0.5679         16   ; qtot 5
+; residue 109 VAL rtp VAL  q  0.0
+  1613          N    109    VAL      N   1613    -0.4157      14.01
+  1614          H    109    VAL      H   1614     0.2719      1.008
+  1615         CT    109    VAL     CA   1615    -0.0875      12.01
+  1616         H1    109    VAL     HA   1616     0.0969      1.008
+  1617         CT    109    VAL     CB   1617     0.2985      12.01
+  1618         HC    109    VAL     HB   1618    -0.0297      1.008
+  1619         CT    109    VAL    CG1   1619    -0.3192      12.01
+  1620         HC    109    VAL   HG11   1620     0.0791      1.008
+  1621         HC    109    VAL   HG12   1621     0.0791      1.008
+  1622         HC    109    VAL   HG13   1622     0.0791      1.008
+  1623         CT    109    VAL    CG2   1623    -0.3192      12.01
+  1624         HC    109    VAL   HG21   1624     0.0791      1.008
+  1625         HC    109    VAL   HG22   1625     0.0791      1.008
+  1626         HC    109    VAL   HG23   1626     0.0791      1.008
+  1627          C    109    VAL      C   1627     0.5973      12.01
+  1628          O    109    VAL      O   1628    -0.5679         16   ; qtot 5
+; residue 110 ALA rtp ALA  q  0.0
+  1629          N    110    ALA      N   1629    -0.4157      14.01
+  1630          H    110    ALA      H   1630     0.2719      1.008
+  1631         CT    110    ALA     CA   1631     0.0337      12.01
+  1632         H1    110    ALA     HA   1632     0.0823      1.008
+  1633         CT    110    ALA     CB   1633    -0.1825      12.01
+  1634         HC    110    ALA    HB1   1634     0.0603      1.008
+  1635         HC    110    ALA    HB2   1635     0.0603      1.008
+  1636         HC    110    ALA    HB3   1636     0.0603      1.008
+  1637          C    110    ALA      C   1637     0.5973      12.01
+  1638          O    110    ALA      O   1638    -0.5679         16   ; qtot 5
+; residue 111 TRP rtp TRP  q  0.0
+  1639          N    111    TRP      N   1639    -0.4157      14.01
+  1640          H    111    TRP      H   1640     0.2719      1.008
+  1641         CT    111    TRP     CA   1641    -0.0275      12.01
+  1642         H1    111    TRP     HA   1642     0.1123      1.008
+  1643         CT    111    TRP     CB   1643     -0.005      12.01
+  1644         HC    111    TRP    HB1   1644     0.0339      1.008
+  1645         HC    111    TRP    HB2   1645     0.0339      1.008
+  1646         C*    111    TRP     CG   1646    -0.1415      12.01
+  1647         CW    111    TRP    CD1   1647    -0.1638      12.01
+  1648         H4    111    TRP    HD1   1648     0.2062      1.008
+  1649         NA    111    TRP    NE1   1649    -0.3418      14.01
+  1650          H    111    TRP    HE1   1650     0.3412      1.008
+  1651         CN    111    TRP    CE2   1651      0.138      12.01
+  1652         CA    111    TRP    CZ2   1652    -0.2601      12.01
+  1653         HA    111    TRP    HZ2   1653     0.1572      1.008
+  1654         CA    111    TRP    CH2   1654    -0.1134      12.01
+  1655         HA    111    TRP    HH2   1655     0.1417      1.008
+  1656         CA    111    TRP    CZ3   1656    -0.1972      12.01
+  1657         HA    111    TRP    HZ3   1657     0.1447      1.008
+  1658         CA    111    TRP    CE3   1658    -0.2387      12.01
+  1659         HA    111    TRP    HE3   1659       0.17      1.008
+  1660         CB    111    TRP    CD2   1660     0.1243      12.01
+  1661          C    111    TRP      C   1661     0.5973      12.01
+  1662          O    111    TRP      O   1662    -0.5679         16   ; qtot 5
+; residue 112 ARG rtp ARG  q +1.0
+  1663          N    112    ARG      N   1663    -0.3479      14.01
+  1664          H    112    ARG      H   1664     0.2747      1.008
+  1665         CT    112    ARG     CA   1665    -0.2637      12.01
+  1666         H1    112    ARG     HA   1666      0.156      1.008
+  1667         CT    112    ARG     CB   1667    -0.0007      12.01
+  1668         HC    112    ARG    HB1   1668     0.0327      1.008
+  1669         HC    112    ARG    HB2   1669     0.0327      1.008
+  1670         CT    112    ARG     CG   1670      0.039      12.01
+  1671         HC    112    ARG    HG1   1671     0.0285      1.008
+  1672         HC    112    ARG    HG2   1672     0.0285      1.008
+  1673         CT    112    ARG     CD   1673     0.0486      12.01
+  1674         H1    112    ARG    HD1   1674     0.0687      1.008
+  1675         H1    112    ARG    HD2   1675     0.0687      1.008
+  1676         N2    112    ARG     NE   1676    -0.5295      14.01
+  1677          H    112    ARG     HE   1677     0.3456      1.008
+  1678         CA    112    ARG     CZ   1678     0.8076      12.01
+  1679         N2    112    ARG    NH1   1679    -0.8627      14.01
+  1680          H    112    ARG   HH11   1680     0.4478      1.008
+  1681          H    112    ARG   HH12   1681     0.4478      1.008
+  1682         N2    112    ARG    NH2   1682    -0.8627      14.01
+  1683          H    112    ARG   HH21   1683     0.4478      1.008
+  1684          H    112    ARG   HH22   1684     0.4478      1.008
+  1685          C    112    ARG      C   1685     0.7341      12.01
+  1686          O    112    ARG      O   1686    -0.5894         16   ; qtot 6
+; residue 113 ASN rtp ASN  q  0.0
+  1687          N    113    ASN      N   1687    -0.4157      14.01
+  1688          H    113    ASN      H   1688     0.2719      1.008
+  1689         CT    113    ASN     CA   1689     0.0143      12.01
+  1690         H1    113    ASN     HA   1690     0.1048      1.008
+  1691         CT    113    ASN     CB   1691    -0.2041      12.01
+  1692         HC    113    ASN    HB1   1692     0.0797      1.008
+  1693         HC    113    ASN    HB2   1693     0.0797      1.008
+  1694          C    113    ASN     CG   1694      0.713      12.01
+  1695          O    113    ASN    OD1   1695    -0.5931         16
+  1696          N    113    ASN    ND2   1696    -0.9191      14.01
+  1697          H    113    ASN   HD21   1697     0.4196      1.008
+  1698          H    113    ASN   HD22   1698     0.4196      1.008
+  1699          C    113    ASN      C   1699     0.5973      12.01
+  1700          O    113    ASN      O   1700    -0.5679         16   ; qtot 6
+; residue 114 ARG rtp ARG  q +1.0
+  1701          N    114    ARG      N   1701    -0.3479      14.01
+  1702          H    114    ARG      H   1702     0.2747      1.008
+  1703         CT    114    ARG     CA   1703    -0.2637      12.01
+  1704         H1    114    ARG     HA   1704      0.156      1.008
+  1705         CT    114    ARG     CB   1705    -0.0007      12.01
+  1706         HC    114    ARG    HB1   1706     0.0327      1.008
+  1707         HC    114    ARG    HB2   1707     0.0327      1.008
+  1708         CT    114    ARG     CG   1708      0.039      12.01
+  1709         HC    114    ARG    HG1   1709     0.0285      1.008
+  1710         HC    114    ARG    HG2   1710     0.0285      1.008
+  1711         CT    114    ARG     CD   1711     0.0486      12.01
+  1712         H1    114    ARG    HD1   1712     0.0687      1.008
+  1713         H1    114    ARG    HD2   1713     0.0687      1.008
+  1714         N2    114    ARG     NE   1714    -0.5295      14.01
+  1715          H    114    ARG     HE   1715     0.3456      1.008
+  1716         CA    114    ARG     CZ   1716     0.8076      12.01
+  1717         N2    114    ARG    NH1   1717    -0.8627      14.01
+  1718          H    114    ARG   HH11   1718     0.4478      1.008
+  1719          H    114    ARG   HH12   1719     0.4478      1.008
+  1720         N2    114    ARG    NH2   1720    -0.8627      14.01
+  1721          H    114    ARG   HH21   1721     0.4478      1.008
+  1722          H    114    ARG   HH22   1722     0.4478      1.008
+  1723          C    114    ARG      C   1723     0.7341      12.01
+  1724          O    114    ARG      O   1724    -0.5894         16   ; qtot 7
+; residue 115 CYS rtp CYX  q  0.0
+  1725          N    115    CYS      N   1725    -0.4157      14.01
+  1726          H    115    CYS      H   1726     0.2719      1.008
+  1727         CT    115    CYS     CA   1727     0.0429      12.01
+  1728         H1    115    CYS     HA   1728     0.0766      1.008
+  1729         CT    115    CYS     CB   1729     -0.079      12.01
+  1730         H1    115    CYS    HB1   1730      0.091      1.008
+  1731         H1    115    CYS    HB2   1731      0.091      1.008
+  1732          S    115    CYS     SG   1732    -0.1081      32.06
+  1733          C    115    CYS      C   1733     0.5973      12.01
+  1734          O    115    CYS      O   1734    -0.5679         16   ; qtot 7
+; residue 116 LYS rtp LYS  q +1.0
+  1735          N    116    LYS      N   1735    -0.3479      14.01
+  1736          H    116    LYS      H   1736     0.2747      1.008
+  1737         CT    116    LYS     CA   1737      -0.24      12.01
+  1738         H1    116    LYS     HA   1738     0.1426      1.008
+  1739         CT    116    LYS     CB   1739    -0.0094      12.01
+  1740         HC    116    LYS    HB1   1740     0.0362      1.008
+  1741         HC    116    LYS    HB2   1741     0.0362      1.008
+  1742         CT    116    LYS     CG   1742     0.0187      12.01
+  1743         HC    116    LYS    HG1   1743     0.0103      1.008
+  1744         HC    116    LYS    HG2   1744     0.0103      1.008
+  1745         CT    116    LYS     CD   1745    -0.0479      12.01
+  1746         HC    116    LYS    HD1   1746     0.0621      1.008
+  1747         HC    116    LYS    HD2   1747     0.0621      1.008
+  1748         CT    116    LYS     CE   1748    -0.0143      12.01
+  1749         HP    116    LYS    HE1   1749     0.1135      1.008
+  1750         HP    116    LYS    HE2   1750     0.1135      1.008
+  1751         N3    116    LYS     NZ   1751    -0.3854      14.01
+  1752          H    116    LYS    HZ1   1752       0.34      1.008
+  1753          H    116    LYS    HZ2   1753       0.34      1.008
+  1754          H    116    LYS    HZ3   1754       0.34      1.008
+  1755          C    116    LYS      C   1755     0.7341      12.01
+  1756          O    116    LYS      O   1756    -0.5894         16   ; qtot 8
+; residue 117 GLY rtp GLY  q  0.0
+  1757          N    117    GLY      N   1757    -0.4157      14.01
+  1758          H    117    GLY      H   1758     0.2719      1.008
+  1759         CT    117    GLY     CA   1759    -0.0252      12.01
+  1760         H1    117    GLY    HA1   1760     0.0698      1.008
+  1761         H1    117    GLY    HA2   1761     0.0698      1.008
+  1762          C    117    GLY      C   1762     0.5973      12.01
+  1763          O    117    GLY      O   1763    -0.5679         16   ; qtot 8
+; residue 118 THR rtp THR  q  0.0
+  1764          N    118    THR      N   1764    -0.4157      14.01
+  1765          H    118    THR      H   1765     0.2719      1.008
+  1766         CT    118    THR     CA   1766    -0.0389      12.01
+  1767         H1    118    THR     HA   1767     0.1007      1.008
+  1768         CT    118    THR     CB   1768     0.3654      12.01
+  1769         H1    118    THR     HB   1769     0.0043      1.008
+  1770         CT    118    THR    CG2   1770    -0.2438      12.01
+  1771         HC    118    THR   HG21   1771     0.0642      1.008
+  1772         HC    118    THR   HG22   1772     0.0642      1.008
+  1773         HC    118    THR   HG23   1773     0.0642      1.008
+  1774         OH    118    THR    OG1   1774    -0.6761         16
+  1775         HO    118    THR    HG1   1775     0.4102      1.008
+  1776          C    118    THR      C   1776     0.5973      12.01
+  1777          O    118    THR      O   1777    -0.5679         16   ; qtot 8
+; residue 119 ASP rtp ASP  q -1.0
+  1778          N    119    ASP      N   1778    -0.5163      14.01
+  1779          H    119    ASP      H   1779     0.2936      1.008
+  1780         CT    119    ASP     CA   1780     0.0381      12.01
+  1781         H1    119    ASP     HA   1781      0.088      1.008
+  1782         CT    119    ASP     CB   1782    -0.0303      12.01
+  1783         HC    119    ASP    HB1   1783    -0.0122      1.008
+  1784         HC    119    ASP    HB2   1784    -0.0122      1.008
+  1785          C    119    ASP     CG   1785     0.7994      12.01
+  1786         O2    119    ASP    OD1   1786    -0.8014         16
+  1787         O2    119    ASP    OD2   1787    -0.8014         16
+  1788          C    119    ASP      C   1788     0.5366      12.01
+  1789          O    119    ASP      O   1789    -0.5819         16   ; qtot 7
+; residue 120 VAL rtp VAL  q  0.0
+  1790          N    120    VAL      N   1790    -0.4157      14.01
+  1791          H    120    VAL      H   1791     0.2719      1.008
+  1792         CT    120    VAL     CA   1792    -0.0875      12.01
+  1793         H1    120    VAL     HA   1793     0.0969      1.008
+  1794         CT    120    VAL     CB   1794     0.2985      12.01
+  1795         HC    120    VAL     HB   1795    -0.0297      1.008
+  1796         CT    120    VAL    CG1   1796    -0.3192      12.01
+  1797         HC    120    VAL   HG11   1797     0.0791      1.008
+  1798         HC    120    VAL   HG12   1798     0.0791      1.008
+  1799         HC    120    VAL   HG13   1799     0.0791      1.008
+  1800         CT    120    VAL    CG2   1800    -0.3192      12.01
+  1801         HC    120    VAL   HG21   1801     0.0791      1.008
+  1802         HC    120    VAL   HG22   1802     0.0791      1.008
+  1803         HC    120    VAL   HG23   1803     0.0791      1.008
+  1804          C    120    VAL      C   1804     0.5973      12.01
+  1805          O    120    VAL      O   1805    -0.5679         16   ; qtot 7
+; residue 121 GLN rtp GLN  q  0.0
+  1806          N    121    GLN      N   1806    -0.4157      14.01
+  1807          H    121    GLN      H   1807     0.2719      1.008
+  1808         CT    121    GLN     CA   1808    -0.0031      12.01
+  1809         H1    121    GLN     HA   1809      0.085      1.008
+  1810         CT    121    GLN     CB   1810    -0.0036      12.01
+  1811         HC    121    GLN    HB1   1811     0.0171      1.008
+  1812         HC    121    GLN    HB2   1812     0.0171      1.008
+  1813         CT    121    GLN     CG   1813    -0.0645      12.01
+  1814         HC    121    GLN    HG1   1814     0.0352      1.008
+  1815         HC    121    GLN    HG2   1815     0.0352      1.008
+  1816          C    121    GLN     CD   1816     0.6951      12.01
+  1817          O    121    GLN    OE1   1817    -0.6086         16
+  1818          N    121    GLN    NE2   1818    -0.9407      14.01
+  1819          H    121    GLN   HE21   1819     0.4251      1.008
+  1820          H    121    GLN   HE22   1820     0.4251      1.008
+  1821          C    121    GLN      C   1821     0.5973      12.01
+  1822          O    121    GLN      O   1822    -0.5679         16   ; qtot 7
+; residue 122 ALA rtp ALA  q  0.0
+  1823          N    122    ALA      N   1823    -0.4157      14.01
+  1824          H    122    ALA      H   1824     0.2719      1.008
+  1825         CT    122    ALA     CA   1825     0.0337      12.01
+  1826         H1    122    ALA     HA   1826     0.0823      1.008
+  1827         CT    122    ALA     CB   1827    -0.1825      12.01
+  1828         HC    122    ALA    HB1   1828     0.0603      1.008
+  1829         HC    122    ALA    HB2   1829     0.0603      1.008
+  1830         HC    122    ALA    HB3   1830     0.0603      1.008
+  1831          C    122    ALA      C   1831     0.5973      12.01
+  1832          O    122    ALA      O   1832    -0.5679         16   ; qtot 7
+; residue 123 TRP rtp TRP  q  0.0
+  1833          N    123    TRP      N   1833    -0.4157      14.01
+  1834          H    123    TRP      H   1834     0.2719      1.008
+  1835         CT    123    TRP     CA   1835    -0.0275      12.01
+  1836         H1    123    TRP     HA   1836     0.1123      1.008
+  1837         CT    123    TRP     CB   1837     -0.005      12.01
+  1838         HC    123    TRP    HB1   1838     0.0339      1.008
+  1839         HC    123    TRP    HB2   1839     0.0339      1.008
+  1840         C*    123    TRP     CG   1840    -0.1415      12.01
+  1841         CW    123    TRP    CD1   1841    -0.1638      12.01
+  1842         H4    123    TRP    HD1   1842     0.2062      1.008
+  1843         NA    123    TRP    NE1   1843    -0.3418      14.01
+  1844          H    123    TRP    HE1   1844     0.3412      1.008
+  1845         CN    123    TRP    CE2   1845      0.138      12.01
+  1846         CA    123    TRP    CZ2   1846    -0.2601      12.01
+  1847         HA    123    TRP    HZ2   1847     0.1572      1.008
+  1848         CA    123    TRP    CH2   1848    -0.1134      12.01
+  1849         HA    123    TRP    HH2   1849     0.1417      1.008
+  1850         CA    123    TRP    CZ3   1850    -0.1972      12.01
+  1851         HA    123    TRP    HZ3   1851     0.1447      1.008
+  1852         CA    123    TRP    CE3   1852    -0.2387      12.01
+  1853         HA    123    TRP    HE3   1853       0.17      1.008
+  1854         CB    123    TRP    CD2   1854     0.1243      12.01
+  1855          C    123    TRP      C   1855     0.5973      12.01
+  1856          O    123    TRP      O   1856    -0.5679         16   ; qtot 7
+; residue 124 ILE rtp ILE  q  0.0
+  1857          N    124    ILE      N   1857    -0.4157      14.01
+  1858          H    124    ILE      H   1858     0.2719      1.008
+  1859         CT    124    ILE     CA   1859    -0.0597      12.01
+  1860         H1    124    ILE     HA   1860     0.0869      1.008
+  1861         CT    124    ILE     CB   1861     0.1303      12.01
+  1862         HC    124    ILE     HB   1862     0.0187      1.008
+  1863         CT    124    ILE    CG2   1863    -0.3204      12.01
+  1864         HC    124    ILE   HG21   1864     0.0882      1.008
+  1865         HC    124    ILE   HG22   1865     0.0882      1.008
+  1866         HC    124    ILE   HG23   1866     0.0882      1.008
+  1867         CT    124    ILE    CG1   1867     -0.043      12.01
+  1868         HC    124    ILE   HG11   1868     0.0236      1.008
+  1869         HC    124    ILE   HG12   1869     0.0236      1.008
+  1870         CT    124    ILE     CD   1870     -0.066      12.01
+  1871         HC    124    ILE    HD1   1871     0.0186      1.008
+  1872         HC    124    ILE    HD2   1872     0.0186      1.008
+  1873         HC    124    ILE    HD3   1873     0.0186      1.008
+  1874          C    124    ILE      C   1874     0.5973      12.01
+  1875          O    124    ILE      O   1875    -0.5679         16   ; qtot 7
+; residue 125 ARG rtp ARG  q +1.0
+  1876          N    125    ARG      N   1876    -0.3479      14.01
+  1877          H    125    ARG      H   1877     0.2747      1.008
+  1878         CT    125    ARG     CA   1878    -0.2637      12.01
+  1879         H1    125    ARG     HA   1879      0.156      1.008
+  1880         CT    125    ARG     CB   1880    -0.0007      12.01
+  1881         HC    125    ARG    HB1   1881     0.0327      1.008
+  1882         HC    125    ARG    HB2   1882     0.0327      1.008
+  1883         CT    125    ARG     CG   1883      0.039      12.01
+  1884         HC    125    ARG    HG1   1884     0.0285      1.008
+  1885         HC    125    ARG    HG2   1885     0.0285      1.008
+  1886         CT    125    ARG     CD   1886     0.0486      12.01
+  1887         H1    125    ARG    HD1   1887     0.0687      1.008
+  1888         H1    125    ARG    HD2   1888     0.0687      1.008
+  1889         N2    125    ARG     NE   1889    -0.5295      14.01
+  1890          H    125    ARG     HE   1890     0.3456      1.008
+  1891         CA    125    ARG     CZ   1891     0.8076      12.01
+  1892         N2    125    ARG    NH1   1892    -0.8627      14.01
+  1893          H    125    ARG   HH11   1893     0.4478      1.008
+  1894          H    125    ARG   HH12   1894     0.4478      1.008
+  1895         N2    125    ARG    NH2   1895    -0.8627      14.01
+  1896          H    125    ARG   HH21   1896     0.4478      1.008
+  1897          H    125    ARG   HH22   1897     0.4478      1.008
+  1898          C    125    ARG      C   1898     0.7341      12.01
+  1899          O    125    ARG      O   1899    -0.5894         16   ; qtot 8
+; residue 126 GLY rtp GLY  q  0.0
+  1900          N    126    GLY      N   1900    -0.4157      14.01
+  1901          H    126    GLY      H   1901     0.2719      1.008
+  1902         CT    126    GLY     CA   1902    -0.0252      12.01
+  1903         H1    126    GLY    HA1   1903     0.0698      1.008
+  1904         H1    126    GLY    HA2   1904     0.0698      1.008
+  1905          C    126    GLY      C   1905     0.5973      12.01
+  1906          O    126    GLY      O   1906    -0.5679         16   ; qtot 8
+; residue 127 CYS rtp CYX  q  0.0
+  1907          N    127    CYS      N   1907    -0.4157      14.01
+  1908          H    127    CYS      H   1908     0.2719      1.008
+  1909         CT    127    CYS     CA   1909     0.0429      12.01
+  1910         H1    127    CYS     HA   1910     0.0766      1.008
+  1911         CT    127    CYS     CB   1911     -0.079      12.01
+  1912         H1    127    CYS    HB1   1912      0.091      1.008
+  1913         H1    127    CYS    HB2   1913      0.091      1.008
+  1914          S    127    CYS     SG   1914    -0.1081      32.06
+  1915          C    127    CYS      C   1915     0.5973      12.01
+  1916          O    127    CYS      O   1916    -0.5679         16   ; qtot 8
+; residue 128 ARG rtp ARG  q +1.0
+  1917          N    128    ARG      N   1917    -0.3479      14.01
+  1918          H    128    ARG      H   1918     0.2747      1.008
+  1919         CT    128    ARG     CA   1919    -0.2637      12.01
+  1920         H1    128    ARG     HA   1920      0.156      1.008
+  1921         CT    128    ARG     CB   1921    -0.0007      12.01
+  1922         HC    128    ARG    HB1   1922     0.0327      1.008
+  1923         HC    128    ARG    HB2   1923     0.0327      1.008
+  1924         CT    128    ARG     CG   1924      0.039      12.01
+  1925         HC    128    ARG    HG1   1925     0.0285      1.008
+  1926         HC    128    ARG    HG2   1926     0.0285      1.008
+  1927         CT    128    ARG     CD   1927     0.0486      12.01
+  1928         H1    128    ARG    HD1   1928     0.0687      1.008
+  1929         H1    128    ARG    HD2   1929     0.0687      1.008
+  1930         N2    128    ARG     NE   1930    -0.5295      14.01
+  1931          H    128    ARG     HE   1931     0.3456      1.008
+  1932         CA    128    ARG     CZ   1932     0.8076      12.01
+  1933         N2    128    ARG    NH1   1933    -0.8627      14.01
+  1934          H    128    ARG   HH11   1934     0.4478      1.008
+  1935          H    128    ARG   HH12   1935     0.4478      1.008
+  1936         N2    128    ARG    NH2   1936    -0.8627      14.01
+  1937          H    128    ARG   HH21   1937     0.4478      1.008
+  1938          H    128    ARG   HH22   1938     0.4478      1.008
+  1939          C    128    ARG      C   1939     0.7341      12.01
+  1940          O    128    ARG      O   1940    -0.5894         16   ; qtot 9
+; residue 129 LEU rtp CLEU q -1.0
+  1941          N    129    LEU      N   1941    -0.3821      14.01
+  1942          H    129    LEU      H   1942     0.2681      1.008
+  1943         CT    129    LEU     CA   1943    -0.2847      12.01
+  1944         H1    129    LEU     HA   1944     0.1346      1.008
+  1945         CT    129    LEU     CB   1945    -0.2469      12.01
+  1946         HC    129    LEU    HB1   1946     0.0974      1.008
+  1947         HC    129    LEU    HB2   1947     0.0974      1.008
+  1948         CT    129    LEU     CG   1948     0.3706      12.01
+  1949         HC    129    LEU     HG   1949    -0.0374      1.008
+  1950         CT    129    LEU    CD1   1950    -0.4163      12.01
+  1951         HC    129    LEU   HD11   1951     0.1038      1.008
+  1952         HC    129    LEU   HD12   1952     0.1038      1.008
+  1953         HC    129    LEU   HD13   1953     0.1038      1.008
+  1954         CT    129    LEU    CD2   1954    -0.4163      12.01
+  1955         HC    129    LEU   HD21   1955     0.1038      1.008
+  1956         HC    129    LEU   HD22   1956     0.1038      1.008
+  1957         HC    129    LEU   HD23   1957     0.1038      1.008
+  1958          C    129    LEU      C   1958     0.8326      12.01
+  1959         O2    129    LEU    OC1   1959    -0.8199         16
+  1960         O2    129    LEU    OC2   1960    -0.8199         16   ; qtot 8
+
+[ bonds ]
+;  ai    aj funct            c0            c1            c2            c3
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+ 1716  1718  1717  1719     4 
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+ 1792  1806  1804  1805     4 
+ 1804  1808  1806  1807     4 
+ 1808  1823  1821  1822     4 
+ 1813  1818  1816  1817     4 
+ 1816  1819  1818  1820     4 
+ 1821  1825  1823  1824     4 
+ 1825  1833  1831  1832     4 
+ 1831  1835  1833  1834     4 
+ 1835  1857  1855  1856     4 
+ 1840  1843  1841  1842     4 
+ 1841  1845  1843  1844     4 
+ 1841  1840  1837  1854     4 
+ 1845  1848  1846  1847     4 
+ 1846  1850  1848  1849     4 
+ 1848  1852  1850  1851     4 
+ 1850  1854  1852  1853     4 
+ 1855  1859  1857  1858     4 
+ 1859  1876  1874  1875     4 
+ 1874  1878  1876  1877     4 
+ 1878  1900  1898  1899     4 
+ 1886  1891  1889  1890     4 
+ 1889  1892  1891  1895     4 
+ 1891  1893  1892  1894     4 
+ 1891  1896  1895  1897     4 
+ 1898  1902  1900  1901     4 
+ 1902  1907  1905  1906     4 
+ 1905  1909  1907  1908     4 
+ 1909  1917  1915  1916     4 
+ 1915  1919  1917  1918     4 
+ 1919  1941  1939  1940     4 
+ 1927  1932  1930  1931     4 
+ 1930  1933  1932  1936     4 
+ 1932  1934  1933  1935     4 
+ 1932  1937  1936  1938     4 
+ 1939  1943  1941  1942     4 
+ 1943  1959  1958  1960     4 
+
+; Include Position restraint file
+#ifdef POSRES
+#include "posre.itp"
+#endif
+
+; Include water topology
+#include "amber99sb-ildn.ff/tip3p.itp"
+
+#ifdef POSRES_WATER
+; Position restraint for each water oxygen
+[ position_restraints ]
+;  i funct       fcx        fcy        fcz
+   1    1       1000       1000       1000
+#endif
+
+; Include topology for ions
+#include "amber99sb-ildn.ff/ions.itp"
+
+[ system ]
+; Name
+HEN EGG WHITE LYSOZYME in water
+
+[ molecules ]
+; Compound        #mols
+Protein_chain_A     1
+SOL               185
+SOL         16057
+NA               46
+CL               54
diff --git a/gromacs-demos/vacf/toppar/CLA.itp b/gromacs-demos/vacf/toppar/CLA.itp
new file mode 100644
index 0000000..a4ecb89
--- /dev/null
+++ b/gromacs-demos/vacf/toppar/CLA.itp
@@ -0,0 +1,17 @@
+;;
+;; Generated by CHARMM-GUI FF-Converter
+;;
+;; Correspondance:
+;; jul316@lehigh.edu or wonpil@lehigh.edu
+;;
+;; GROMACS topology file for CLA
+;;
+
+
+[ moleculetype ]
+; name	nrexcl
+CLA	     1
+
+[ atoms ]
+; nr	type	resnr	residu	atom	cgnr	charge	mass
+     1        CLA     28      CLA    CLA      1    -1.000000    35.4500   ; qtot -1.000
diff --git a/gromacs-demos/vacf/toppar/PROA.itp b/gromacs-demos/vacf/toppar/PROA.itp
new file mode 100644
index 0000000..0fb7ec8
--- /dev/null
+++ b/gromacs-demos/vacf/toppar/PROA.itp
@@ -0,0 +1,19324 @@
+;;
+;; Generated by CHARMM-GUI FF-Converter
+;;
+;; Correspondance:
+;; jul316@lehigh.edu or wonpil@lehigh.edu
+;;
+;; GROMACS topology file for PROA
+;;
+
+
+[ moleculetype ]
+; name	nrexcl
+PROA	     3
+
+[ atoms ]
+; nr	type	resnr	residu	atom	cgnr	charge	mass
+     1        NH3      1      LYS      N      1    -0.300000    14.0070   ; qtot -0.300
+     2         HC      1      LYS    HT1      2     0.330000     1.0080   ; qtot  0.030
+     3         HC      1      LYS    HT2      3     0.330000     1.0080   ; qtot  0.360
+     4         HC      1      LYS    HT3      4     0.330000     1.0080   ; qtot  0.690
+     5        CT1      1      LYS     CA      5     0.210000    12.0110   ; qtot  0.900
+     6        HB1      1      LYS     HA      6     0.100000     1.0080   ; qtot  1.000
+     7        CT2      1      LYS     CB      7    -0.180000    12.0110   ; qtot  0.820
+     8        HA2      1      LYS    HB1      8     0.090000     1.0080   ; qtot  0.910
+     9        HA2      1      LYS    HB2      9     0.090000     1.0080   ; qtot  1.000
+    10        CT2      1      LYS     CG     10    -0.180000    12.0110   ; qtot  0.820
+    11        HA2      1      LYS    HG1     11     0.090000     1.0080   ; qtot  0.910
+    12        HA2      1      LYS    HG2     12     0.090000     1.0080   ; qtot  1.000
+    13        CT2      1      LYS     CD     13    -0.180000    12.0110   ; qtot  0.820
+    14        HA2      1      LYS    HD1     14     0.090000     1.0080   ; qtot  0.910
+    15        HA2      1      LYS    HD2     15     0.090000     1.0080   ; qtot  1.000
+    16        CT2      1      LYS     CE     16     0.210000    12.0110   ; qtot  1.210
+    17        HA2      1      LYS    HE1     17     0.050000     1.0080   ; qtot  1.260
+    18        HA2      1      LYS    HE2     18     0.050000     1.0080   ; qtot  1.310
+    19        NH3      1      LYS     NZ     19    -0.300000    14.0070   ; qtot  1.010
+    20         HC      1      LYS    HZ1     20     0.330000     1.0080   ; qtot  1.340
+    21         HC      1      LYS    HZ2     21     0.330000     1.0080   ; qtot  1.670
+    22         HC      1      LYS    HZ3     22     0.330000     1.0080   ; qtot  2.000
+    23          C      1      LYS      C     23     0.510000    12.0110   ; qtot  2.510
+    24          O      1      LYS      O     24    -0.510000    15.9994   ; qtot  2.000
+    25        NH1      2      VAL      N     25    -0.470000    14.0070   ; qtot  1.530
+    26          H      2      VAL     HN     26     0.310000     1.0080   ; qtot  1.840
+    27        CT1      2      VAL     CA     27     0.070000    12.0110   ; qtot  1.910
+    28        HB1      2      VAL     HA     28     0.090000     1.0080   ; qtot  2.000
+    29        CT1      2      VAL     CB     29    -0.090000    12.0110   ; qtot  1.910
+    30        HA1      2      VAL     HB     30     0.090000     1.0080   ; qtot  2.000
+    31        CT3      2      VAL    CG1     31    -0.270000    12.0110   ; qtot  1.730
+    32        HA3      2      VAL   HG11     32     0.090000     1.0080   ; qtot  1.820
+    33        HA3      2      VAL   HG12     33     0.090000     1.0080   ; qtot  1.910
+    34        HA3      2      VAL   HG13     34     0.090000     1.0080   ; qtot  2.000
+    35        CT3      2      VAL    CG2     35    -0.270000    12.0110   ; qtot  1.730
+    36        HA3      2      VAL   HG21     36     0.090000     1.0080   ; qtot  1.820
+    37        HA3      2      VAL   HG22     37     0.090000     1.0080   ; qtot  1.910
+    38        HA3      2      VAL   HG23     38     0.090000     1.0080   ; qtot  2.000
+    39          C      2      VAL      C     39     0.510000    12.0110   ; qtot  2.510
+    40          O      2      VAL      O     40    -0.510000    15.9994   ; qtot  2.000
+    41        NH1      3      PHE      N     41    -0.470000    14.0070   ; qtot  1.530
+    42          H      3      PHE     HN     42     0.310000     1.0080   ; qtot  1.840
+    43        CT1      3      PHE     CA     43     0.070000    12.0110   ; qtot  1.910
+    44        HB1      3      PHE     HA     44     0.090000     1.0080   ; qtot  2.000
+    45        CT2      3      PHE     CB     45    -0.180000    12.0110   ; qtot  1.820
+    46        HA2      3      PHE    HB1     46     0.090000     1.0080   ; qtot  1.910
+    47        HA2      3      PHE    HB2     47     0.090000     1.0080   ; qtot  2.000
+    48         CA      3      PHE     CG     48     0.000000    12.0110   ; qtot  2.000
+    49         CA      3      PHE    CD1     49    -0.115000    12.0110   ; qtot  1.885
+    50         HP      3      PHE    HD1     50     0.115000     1.0080   ; qtot  2.000
+    51         CA      3      PHE    CE1     51    -0.115000    12.0110   ; qtot  1.885
+    52         HP      3      PHE    HE1     52     0.115000     1.0080   ; qtot  2.000
+    53         CA      3      PHE     CZ     53    -0.115000    12.0110   ; qtot  1.885
+    54         HP      3      PHE     HZ     54     0.115000     1.0080   ; qtot  2.000
+    55         CA      3      PHE    CD2     55    -0.115000    12.0110   ; qtot  1.885
+    56         HP      3      PHE    HD2     56     0.115000     1.0080   ; qtot  2.000
+    57         CA      3      PHE    CE2     57    -0.115000    12.0110   ; qtot  1.885
+    58         HP      3      PHE    HE2     58     0.115000     1.0080   ; qtot  2.000
+    59          C      3      PHE      C     59     0.510000    12.0110   ; qtot  2.510
+    60          O      3      PHE      O     60    -0.510000    15.9994   ; qtot  2.000
+    61        NH1      4      GLY      N     61    -0.470000    14.0070   ; qtot  1.530
+    62          H      4      GLY     HN     62     0.310000     1.0080   ; qtot  1.840
+    63        CT2      4      GLY     CA     63    -0.020000    12.0110   ; qtot  1.820
+    64        HB2      4      GLY    HA1     64     0.090000     1.0080   ; qtot  1.910
+    65        HB2      4      GLY    HA2     65     0.090000     1.0080   ; qtot  2.000
+    66          C      4      GLY      C     66     0.510000    12.0110   ; qtot  2.510
+    67          O      4      GLY      O     67    -0.510000    15.9994   ; qtot  2.000
+    68        NH1      5      ARG      N     68    -0.470000    14.0070   ; qtot  1.530
+    69          H      5      ARG     HN     69     0.310000     1.0080   ; qtot  1.840
+    70        CT1      5      ARG     CA     70     0.070000    12.0110   ; qtot  1.910
+    71        HB1      5      ARG     HA     71     0.090000     1.0080   ; qtot  2.000
+    72        CT2      5      ARG     CB     72    -0.180000    12.0110   ; qtot  1.820
+    73        HA2      5      ARG    HB1     73     0.090000     1.0080   ; qtot  1.910
+    74        HA2      5      ARG    HB2     74     0.090000     1.0080   ; qtot  2.000
+    75        CT2      5      ARG     CG     75    -0.180000    12.0110   ; qtot  1.820
+    76        HA2      5      ARG    HG1     76     0.090000     1.0080   ; qtot  1.910
+    77        HA2      5      ARG    HG2     77     0.090000     1.0080   ; qtot  2.000
+    78        CT2      5      ARG     CD     78     0.200000    12.0110   ; qtot  2.200
+    79        HA2      5      ARG    HD1     79     0.090000     1.0080   ; qtot  2.290
+    80        HA2      5      ARG    HD2     80     0.090000     1.0080   ; qtot  2.380
+    81        NC2      5      ARG     NE     81    -0.700000    14.0070   ; qtot  1.680
+    82         HC      5      ARG     HE     82     0.440000     1.0080   ; qtot  2.120
+    83          C      5      ARG     CZ     83     0.640000    12.0110   ; qtot  2.760
+    84        NC2      5      ARG    NH1     84    -0.800000    14.0070   ; qtot  1.960
+    85         HC      5      ARG   HH11     85     0.460000     1.0080   ; qtot  2.420
+    86         HC      5      ARG   HH12     86     0.460000     1.0080   ; qtot  2.880
+    87        NC2      5      ARG    NH2     87    -0.800000    14.0070   ; qtot  2.080
+    88         HC      5      ARG   HH21     88     0.460000     1.0080   ; qtot  2.540
+    89         HC      5      ARG   HH22     89     0.460000     1.0080   ; qtot  3.000
+    90          C      5      ARG      C     90     0.510000    12.0110   ; qtot  3.510
+    91          O      5      ARG      O     91    -0.510000    15.9994   ; qtot  3.000
+    92        NH1      6      CYS      N     92    -0.470000    14.0070   ; qtot  2.530
+    93          H      6      CYS     HN     93     0.310000     1.0080   ; qtot  2.840
+    94        CT1      6      CYS     CA     94     0.070000    12.0110   ; qtot  2.910
+    95        HB1      6      CYS     HA     95     0.090000     1.0080   ; qtot  3.000
+    96        CT2      6      CYS     CB     96    -0.100000    12.0110   ; qtot  2.900
+    97        HA2      6      CYS    HB1     97     0.090000     1.0080   ; qtot  2.990
+    98        HA2      6      CYS    HB2     98     0.090000     1.0080   ; qtot  3.080
+    99         SM      6      CYS     SG     99    -0.080000    32.0600   ; qtot  3.000
+   100          C      6      CYS      C    100     0.510000    12.0110   ; qtot  3.510
+   101          O      6      CYS      O    101    -0.510000    15.9994   ; qtot  3.000
+   102        NH1      7      GLU      N    102    -0.470000    14.0070   ; qtot  2.530
+   103          H      7      GLU     HN    103     0.310000     1.0080   ; qtot  2.840
+   104        CT1      7      GLU     CA    104     0.070000    12.0110   ; qtot  2.910
+   105        HB1      7      GLU     HA    105     0.090000     1.0080   ; qtot  3.000
+   106       CT2A      7      GLU     CB    106    -0.180000    12.0110   ; qtot  2.820
+   107        HA2      7      GLU    HB1    107     0.090000     1.0080   ; qtot  2.910
+   108        HA2      7      GLU    HB2    108     0.090000     1.0080   ; qtot  3.000
+   109        CT2      7      GLU     CG    109    -0.280000    12.0110   ; qtot  2.720
+   110        HA2      7      GLU    HG1    110     0.090000     1.0080   ; qtot  2.810
+   111        HA2      7      GLU    HG2    111     0.090000     1.0080   ; qtot  2.900
+   112         CC      7      GLU     CD    112     0.620000    12.0110   ; qtot  3.520
+   113         OC      7      GLU    OE1    113    -0.760000    15.9994   ; qtot  2.760
+   114         OC      7      GLU    OE2    114    -0.760000    15.9994   ; qtot  2.000
+   115          C      7      GLU      C    115     0.510000    12.0110   ; qtot  2.510
+   116          O      7      GLU      O    116    -0.510000    15.9994   ; qtot  2.000
+   117        NH1      8      LEU      N    117    -0.470000    14.0070   ; qtot  1.530
+   118          H      8      LEU     HN    118     0.310000     1.0080   ; qtot  1.840
+   119        CT1      8      LEU     CA    119     0.070000    12.0110   ; qtot  1.910
+   120        HB1      8      LEU     HA    120     0.090000     1.0080   ; qtot  2.000
+   121        CT2      8      LEU     CB    121    -0.180000    12.0110   ; qtot  1.820
+   122        HA2      8      LEU    HB1    122     0.090000     1.0080   ; qtot  1.910
+   123        HA2      8      LEU    HB2    123     0.090000     1.0080   ; qtot  2.000
+   124        CT1      8      LEU     CG    124    -0.090000    12.0110   ; qtot  1.910
+   125        HA1      8      LEU     HG    125     0.090000     1.0080   ; qtot  2.000
+   126        CT3      8      LEU    CD1    126    -0.270000    12.0110   ; qtot  1.730
+   127        HA3      8      LEU   HD11    127     0.090000     1.0080   ; qtot  1.820
+   128        HA3      8      LEU   HD12    128     0.090000     1.0080   ; qtot  1.910
+   129        HA3      8      LEU   HD13    129     0.090000     1.0080   ; qtot  2.000
+   130        CT3      8      LEU    CD2    130    -0.270000    12.0110   ; qtot  1.730
+   131        HA3      8      LEU   HD21    131     0.090000     1.0080   ; qtot  1.820
+   132        HA3      8      LEU   HD22    132     0.090000     1.0080   ; qtot  1.910
+   133        HA3      8      LEU   HD23    133     0.090000     1.0080   ; qtot  2.000
+   134          C      8      LEU      C    134     0.510000    12.0110   ; qtot  2.510
+   135          O      8      LEU      O    135    -0.510000    15.9994   ; qtot  2.000
+   136        NH1      9      ALA      N    136    -0.470000    14.0070   ; qtot  1.530
+   137          H      9      ALA     HN    137     0.310000     1.0080   ; qtot  1.840
+   138        CT1      9      ALA     CA    138     0.070000    12.0110   ; qtot  1.910
+   139        HB1      9      ALA     HA    139     0.090000     1.0080   ; qtot  2.000
+   140        CT3      9      ALA     CB    140    -0.270000    12.0110   ; qtot  1.730
+   141        HA3      9      ALA    HB1    141     0.090000     1.0080   ; qtot  1.820
+   142        HA3      9      ALA    HB2    142     0.090000     1.0080   ; qtot  1.910
+   143        HA3      9      ALA    HB3    143     0.090000     1.0080   ; qtot  2.000
+   144          C      9      ALA      C    144     0.510000    12.0110   ; qtot  2.510
+   145          O      9      ALA      O    145    -0.510000    15.9994   ; qtot  2.000
+   146        NH1     10      ALA      N    146    -0.470000    14.0070   ; qtot  1.530
+   147          H     10      ALA     HN    147     0.310000     1.0080   ; qtot  1.840
+   148        CT1     10      ALA     CA    148     0.070000    12.0110   ; qtot  1.910
+   149        HB1     10      ALA     HA    149     0.090000     1.0080   ; qtot  2.000
+   150        CT3     10      ALA     CB    150    -0.270000    12.0110   ; qtot  1.730
+   151        HA3     10      ALA    HB1    151     0.090000     1.0080   ; qtot  1.820
+   152        HA3     10      ALA    HB2    152     0.090000     1.0080   ; qtot  1.910
+   153        HA3     10      ALA    HB3    153     0.090000     1.0080   ; qtot  2.000
+   154          C     10      ALA      C    154     0.510000    12.0110   ; qtot  2.510
+   155          O     10      ALA      O    155    -0.510000    15.9994   ; qtot  2.000
+   156        NH1     11      ALA      N    156    -0.470000    14.0070   ; qtot  1.530
+   157          H     11      ALA     HN    157     0.310000     1.0080   ; qtot  1.840
+   158        CT1     11      ALA     CA    158     0.070000    12.0110   ; qtot  1.910
+   159        HB1     11      ALA     HA    159     0.090000     1.0080   ; qtot  2.000
+   160        CT3     11      ALA     CB    160    -0.270000    12.0110   ; qtot  1.730
+   161        HA3     11      ALA    HB1    161     0.090000     1.0080   ; qtot  1.820
+   162        HA3     11      ALA    HB2    162     0.090000     1.0080   ; qtot  1.910
+   163        HA3     11      ALA    HB3    163     0.090000     1.0080   ; qtot  2.000
+   164          C     11      ALA      C    164     0.510000    12.0110   ; qtot  2.510
+   165          O     11      ALA      O    165    -0.510000    15.9994   ; qtot  2.000
+   166        NH1     12      MET      N    166    -0.470000    14.0070   ; qtot  1.530
+   167          H     12      MET     HN    167     0.310000     1.0080   ; qtot  1.840
+   168        CT1     12      MET     CA    168     0.070000    12.0110   ; qtot  1.910
+   169        HB1     12      MET     HA    169     0.090000     1.0080   ; qtot  2.000
+   170        CT2     12      MET     CB    170    -0.180000    12.0110   ; qtot  1.820
+   171        HA2     12      MET    HB1    171     0.090000     1.0080   ; qtot  1.910
+   172        HA2     12      MET    HB2    172     0.090000     1.0080   ; qtot  2.000
+   173        CT2     12      MET     CG    173    -0.140000    12.0110   ; qtot  1.860
+   174        HA2     12      MET    HG1    174     0.090000     1.0080   ; qtot  1.950
+   175        HA2     12      MET    HG2    175     0.090000     1.0080   ; qtot  2.040
+   176          S     12      MET     SD    176    -0.090000    32.0600   ; qtot  1.950
+   177        CT3     12      MET     CE    177    -0.220000    12.0110   ; qtot  1.730
+   178        HA3     12      MET    HE1    178     0.090000     1.0080   ; qtot  1.820
+   179        HA3     12      MET    HE2    179     0.090000     1.0080   ; qtot  1.910
+   180        HA3     12      MET    HE3    180     0.090000     1.0080   ; qtot  2.000
+   181          C     12      MET      C    181     0.510000    12.0110   ; qtot  2.510
+   182          O     12      MET      O    182    -0.510000    15.9994   ; qtot  2.000
+   183        NH1     13      LYS      N    183    -0.470000    14.0070   ; qtot  1.530
+   184          H     13      LYS     HN    184     0.310000     1.0080   ; qtot  1.840
+   185        CT1     13      LYS     CA    185     0.070000    12.0110   ; qtot  1.910
+   186        HB1     13      LYS     HA    186     0.090000     1.0080   ; qtot  2.000
+   187        CT2     13      LYS     CB    187    -0.180000    12.0110   ; qtot  1.820
+   188        HA2     13      LYS    HB1    188     0.090000     1.0080   ; qtot  1.910
+   189        HA2     13      LYS    HB2    189     0.090000     1.0080   ; qtot  2.000
+   190        CT2     13      LYS     CG    190    -0.180000    12.0110   ; qtot  1.820
+   191        HA2     13      LYS    HG1    191     0.090000     1.0080   ; qtot  1.910
+   192        HA2     13      LYS    HG2    192     0.090000     1.0080   ; qtot  2.000
+   193        CT2     13      LYS     CD    193    -0.180000    12.0110   ; qtot  1.820
+   194        HA2     13      LYS    HD1    194     0.090000     1.0080   ; qtot  1.910
+   195        HA2     13      LYS    HD2    195     0.090000     1.0080   ; qtot  2.000
+   196        CT2     13      LYS     CE    196     0.210000    12.0110   ; qtot  2.210
+   197        HA2     13      LYS    HE1    197     0.050000     1.0080   ; qtot  2.260
+   198        HA2     13      LYS    HE2    198     0.050000     1.0080   ; qtot  2.310
+   199        NH3     13      LYS     NZ    199    -0.300000    14.0070   ; qtot  2.010
+   200         HC     13      LYS    HZ1    200     0.330000     1.0080   ; qtot  2.340
+   201         HC     13      LYS    HZ2    201     0.330000     1.0080   ; qtot  2.670
+   202         HC     13      LYS    HZ3    202     0.330000     1.0080   ; qtot  3.000
+   203          C     13      LYS      C    203     0.510000    12.0110   ; qtot  3.510
+   204          O     13      LYS      O    204    -0.510000    15.9994   ; qtot  3.000
+   205        NH1     14      ARG      N    205    -0.470000    14.0070   ; qtot  2.530
+   206          H     14      ARG     HN    206     0.310000     1.0080   ; qtot  2.840
+   207        CT1     14      ARG     CA    207     0.070000    12.0110   ; qtot  2.910
+   208        HB1     14      ARG     HA    208     0.090000     1.0080   ; qtot  3.000
+   209        CT2     14      ARG     CB    209    -0.180000    12.0110   ; qtot  2.820
+   210        HA2     14      ARG    HB1    210     0.090000     1.0080   ; qtot  2.910
+   211        HA2     14      ARG    HB2    211     0.090000     1.0080   ; qtot  3.000
+   212        CT2     14      ARG     CG    212    -0.180000    12.0110   ; qtot  2.820
+   213        HA2     14      ARG    HG1    213     0.090000     1.0080   ; qtot  2.910
+   214        HA2     14      ARG    HG2    214     0.090000     1.0080   ; qtot  3.000
+   215        CT2     14      ARG     CD    215     0.200000    12.0110   ; qtot  3.200
+   216        HA2     14      ARG    HD1    216     0.090000     1.0080   ; qtot  3.290
+   217        HA2     14      ARG    HD2    217     0.090000     1.0080   ; qtot  3.380
+   218        NC2     14      ARG     NE    218    -0.700000    14.0070   ; qtot  2.680
+   219         HC     14      ARG     HE    219     0.440000     1.0080   ; qtot  3.120
+   220          C     14      ARG     CZ    220     0.640000    12.0110   ; qtot  3.760
+   221        NC2     14      ARG    NH1    221    -0.800000    14.0070   ; qtot  2.960
+   222         HC     14      ARG   HH11    222     0.460000     1.0080   ; qtot  3.420
+   223         HC     14      ARG   HH12    223     0.460000     1.0080   ; qtot  3.880
+   224        NC2     14      ARG    NH2    224    -0.800000    14.0070   ; qtot  3.080
+   225         HC     14      ARG   HH21    225     0.460000     1.0080   ; qtot  3.540
+   226         HC     14      ARG   HH22    226     0.460000     1.0080   ; qtot  4.000
+   227          C     14      ARG      C    227     0.510000    12.0110   ; qtot  4.510
+   228          O     14      ARG      O    228    -0.510000    15.9994   ; qtot  4.000
+   229        NH1     15      HSD      N    229    -0.470000    14.0070   ; qtot  3.530
+   230          H     15      HSD     HN    230     0.310000     1.0080   ; qtot  3.840
+   231        CT1     15      HSD     CA    231     0.070000    12.0110   ; qtot  3.910
+   232        HB1     15      HSD     HA    232     0.090000     1.0080   ; qtot  4.000
+   233        CT2     15      HSD     CB    233    -0.090000    12.0110   ; qtot  3.910
+   234        HA2     15      HSD    HB1    234     0.090000     1.0080   ; qtot  4.000
+   235        HA2     15      HSD    HB2    235     0.090000     1.0080   ; qtot  4.090
+   236        NR1     15      HSD    ND1    236    -0.360000    14.0070   ; qtot  3.730
+   237          H     15      HSD    HD1    237     0.320000     1.0080   ; qtot  4.050
+   238       CPH1     15      HSD     CG    238    -0.050000    12.0110   ; qtot  4.000
+   239       CPH2     15      HSD    CE1    239     0.250000    12.0110   ; qtot  4.250
+   240        HR1     15      HSD    HE1    240     0.130000     1.0080   ; qtot  4.380
+   241        NR2     15      HSD    NE2    241    -0.700000    14.0070   ; qtot  3.680
+   242       CPH1     15      HSD    CD2    242     0.220000    12.0110   ; qtot  3.900
+   243        HR3     15      HSD    HD2    243     0.100000     1.0080   ; qtot  4.000
+   244          C     15      HSD      C    244     0.510000    12.0110   ; qtot  4.510
+   245          O     15      HSD      O    245    -0.510000    15.9994   ; qtot  4.000
+   246        NH1     16      GLY      N    246    -0.470000    14.0070   ; qtot  3.530
+   247          H     16      GLY     HN    247     0.310000     1.0080   ; qtot  3.840
+   248        CT2     16      GLY     CA    248    -0.020000    12.0110   ; qtot  3.820
+   249        HB2     16      GLY    HA1    249     0.090000     1.0080   ; qtot  3.910
+   250        HB2     16      GLY    HA2    250     0.090000     1.0080   ; qtot  4.000
+   251          C     16      GLY      C    251     0.510000    12.0110   ; qtot  4.510
+   252          O     16      GLY      O    252    -0.510000    15.9994   ; qtot  4.000
+   253        NH1     17      LEU      N    253    -0.470000    14.0070   ; qtot  3.530
+   254          H     17      LEU     HN    254     0.310000     1.0080   ; qtot  3.840
+   255        CT1     17      LEU     CA    255     0.070000    12.0110   ; qtot  3.910
+   256        HB1     17      LEU     HA    256     0.090000     1.0080   ; qtot  4.000
+   257        CT2     17      LEU     CB    257    -0.180000    12.0110   ; qtot  3.820
+   258        HA2     17      LEU    HB1    258     0.090000     1.0080   ; qtot  3.910
+   259        HA2     17      LEU    HB2    259     0.090000     1.0080   ; qtot  4.000
+   260        CT1     17      LEU     CG    260    -0.090000    12.0110   ; qtot  3.910
+   261        HA1     17      LEU     HG    261     0.090000     1.0080   ; qtot  4.000
+   262        CT3     17      LEU    CD1    262    -0.270000    12.0110   ; qtot  3.730
+   263        HA3     17      LEU   HD11    263     0.090000     1.0080   ; qtot  3.820
+   264        HA3     17      LEU   HD12    264     0.090000     1.0080   ; qtot  3.910
+   265        HA3     17      LEU   HD13    265     0.090000     1.0080   ; qtot  4.000
+   266        CT3     17      LEU    CD2    266    -0.270000    12.0110   ; qtot  3.730
+   267        HA3     17      LEU   HD21    267     0.090000     1.0080   ; qtot  3.820
+   268        HA3     17      LEU   HD22    268     0.090000     1.0080   ; qtot  3.910
+   269        HA3     17      LEU   HD23    269     0.090000     1.0080   ; qtot  4.000
+   270          C     17      LEU      C    270     0.510000    12.0110   ; qtot  4.510
+   271          O     17      LEU      O    271    -0.510000    15.9994   ; qtot  4.000
+   272        NH1     18      ASP      N    272    -0.470000    14.0070   ; qtot  3.530
+   273          H     18      ASP     HN    273     0.310000     1.0080   ; qtot  3.840
+   274        CT1     18      ASP     CA    274     0.070000    12.0110   ; qtot  3.910
+   275        HB1     18      ASP     HA    275     0.090000     1.0080   ; qtot  4.000
+   276       CT2A     18      ASP     CB    276    -0.280000    12.0110   ; qtot  3.720
+   277        HA2     18      ASP    HB1    277     0.090000     1.0080   ; qtot  3.810
+   278        HA2     18      ASP    HB2    278     0.090000     1.0080   ; qtot  3.900
+   279         CC     18      ASP     CG    279     0.620000    12.0110   ; qtot  4.520
+   280         OC     18      ASP    OD1    280    -0.760000    15.9994   ; qtot  3.760
+   281         OC     18      ASP    OD2    281    -0.760000    15.9994   ; qtot  3.000
+   282          C     18      ASP      C    282     0.510000    12.0110   ; qtot  3.510
+   283          O     18      ASP      O    283    -0.510000    15.9994   ; qtot  3.000
+   284        NH1     19      ASN      N    284    -0.470000    14.0070   ; qtot  2.530
+   285          H     19      ASN     HN    285     0.310000     1.0080   ; qtot  2.840
+   286        CT1     19      ASN     CA    286     0.070000    12.0110   ; qtot  2.910
+   287        HB1     19      ASN     HA    287     0.090000     1.0080   ; qtot  3.000
+   288        CT2     19      ASN     CB    288    -0.180000    12.0110   ; qtot  2.820
+   289        HA2     19      ASN    HB1    289     0.090000     1.0080   ; qtot  2.910
+   290        HA2     19      ASN    HB2    290     0.090000     1.0080   ; qtot  3.000
+   291         CC     19      ASN     CG    291     0.550000    12.0110   ; qtot  3.550
+   292          O     19      ASN    OD1    292    -0.550000    15.9994   ; qtot  3.000
+   293        NH2     19      ASN    ND2    293    -0.620000    14.0070   ; qtot  2.380
+   294          H     19      ASN   HD21    294     0.320000     1.0080   ; qtot  2.700
+   295          H     19      ASN   HD22    295     0.300000     1.0080   ; qtot  3.000
+   296          C     19      ASN      C    296     0.510000    12.0110   ; qtot  3.510
+   297          O     19      ASN      O    297    -0.510000    15.9994   ; qtot  3.000
+   298        NH1     20      TYR      N    298    -0.470000    14.0070   ; qtot  2.530
+   299          H     20      TYR     HN    299     0.310000     1.0080   ; qtot  2.840
+   300        CT1     20      TYR     CA    300     0.070000    12.0110   ; qtot  2.910
+   301        HB1     20      TYR     HA    301     0.090000     1.0080   ; qtot  3.000
+   302        CT2     20      TYR     CB    302    -0.180000    12.0110   ; qtot  2.820
+   303        HA2     20      TYR    HB1    303     0.090000     1.0080   ; qtot  2.910
+   304        HA2     20      TYR    HB2    304     0.090000     1.0080   ; qtot  3.000
+   305         CA     20      TYR     CG    305     0.000000    12.0110   ; qtot  3.000
+   306         CA     20      TYR    CD1    306    -0.115000    12.0110   ; qtot  2.885
+   307         HP     20      TYR    HD1    307     0.115000     1.0080   ; qtot  3.000
+   308         CA     20      TYR    CE1    308    -0.115000    12.0110   ; qtot  2.885
+   309         HP     20      TYR    HE1    309     0.115000     1.0080   ; qtot  3.000
+   310         CA     20      TYR     CZ    310     0.110000    12.0110   ; qtot  3.110
+   311        OH1     20      TYR     OH    311    -0.540000    15.9994   ; qtot  2.570
+   312          H     20      TYR     HH    312     0.430000     1.0080   ; qtot  3.000
+   313         CA     20      TYR    CD2    313    -0.115000    12.0110   ; qtot  2.885
+   314         HP     20      TYR    HD2    314     0.115000     1.0080   ; qtot  3.000
+   315         CA     20      TYR    CE2    315    -0.115000    12.0110   ; qtot  2.885
+   316         HP     20      TYR    HE2    316     0.115000     1.0080   ; qtot  3.000
+   317          C     20      TYR      C    317     0.510000    12.0110   ; qtot  3.510
+   318          O     20      TYR      O    318    -0.510000    15.9994   ; qtot  3.000
+   319        NH1     21      ARG      N    319    -0.470000    14.0070   ; qtot  2.530
+   320          H     21      ARG     HN    320     0.310000     1.0080   ; qtot  2.840
+   321        CT1     21      ARG     CA    321     0.070000    12.0110   ; qtot  2.910
+   322        HB1     21      ARG     HA    322     0.090000     1.0080   ; qtot  3.000
+   323        CT2     21      ARG     CB    323    -0.180000    12.0110   ; qtot  2.820
+   324        HA2     21      ARG    HB1    324     0.090000     1.0080   ; qtot  2.910
+   325        HA2     21      ARG    HB2    325     0.090000     1.0080   ; qtot  3.000
+   326        CT2     21      ARG     CG    326    -0.180000    12.0110   ; qtot  2.820
+   327        HA2     21      ARG    HG1    327     0.090000     1.0080   ; qtot  2.910
+   328        HA2     21      ARG    HG2    328     0.090000     1.0080   ; qtot  3.000
+   329        CT2     21      ARG     CD    329     0.200000    12.0110   ; qtot  3.200
+   330        HA2     21      ARG    HD1    330     0.090000     1.0080   ; qtot  3.290
+   331        HA2     21      ARG    HD2    331     0.090000     1.0080   ; qtot  3.380
+   332        NC2     21      ARG     NE    332    -0.700000    14.0070   ; qtot  2.680
+   333         HC     21      ARG     HE    333     0.440000     1.0080   ; qtot  3.120
+   334          C     21      ARG     CZ    334     0.640000    12.0110   ; qtot  3.760
+   335        NC2     21      ARG    NH1    335    -0.800000    14.0070   ; qtot  2.960
+   336         HC     21      ARG   HH11    336     0.460000     1.0080   ; qtot  3.420
+   337         HC     21      ARG   HH12    337     0.460000     1.0080   ; qtot  3.880
+   338        NC2     21      ARG    NH2    338    -0.800000    14.0070   ; qtot  3.080
+   339         HC     21      ARG   HH21    339     0.460000     1.0080   ; qtot  3.540
+   340         HC     21      ARG   HH22    340     0.460000     1.0080   ; qtot  4.000
+   341          C     21      ARG      C    341     0.510000    12.0110   ; qtot  4.510
+   342          O     21      ARG      O    342    -0.510000    15.9994   ; qtot  4.000
+   343        NH1     22      GLY      N    343    -0.470000    14.0070   ; qtot  3.530
+   344          H     22      GLY     HN    344     0.310000     1.0080   ; qtot  3.840
+   345        CT2     22      GLY     CA    345    -0.020000    12.0110   ; qtot  3.820
+   346        HB2     22      GLY    HA1    346     0.090000     1.0080   ; qtot  3.910
+   347        HB2     22      GLY    HA2    347     0.090000     1.0080   ; qtot  4.000
+   348          C     22      GLY      C    348     0.510000    12.0110   ; qtot  4.510
+   349          O     22      GLY      O    349    -0.510000    15.9994   ; qtot  4.000
+   350        NH1     23      TYR      N    350    -0.470000    14.0070   ; qtot  3.530
+   351          H     23      TYR     HN    351     0.310000     1.0080   ; qtot  3.840
+   352        CT1     23      TYR     CA    352     0.070000    12.0110   ; qtot  3.910
+   353        HB1     23      TYR     HA    353     0.090000     1.0080   ; qtot  4.000
+   354        CT2     23      TYR     CB    354    -0.180000    12.0110   ; qtot  3.820
+   355        HA2     23      TYR    HB1    355     0.090000     1.0080   ; qtot  3.910
+   356        HA2     23      TYR    HB2    356     0.090000     1.0080   ; qtot  4.000
+   357         CA     23      TYR     CG    357     0.000000    12.0110   ; qtot  4.000
+   358         CA     23      TYR    CD1    358    -0.115000    12.0110   ; qtot  3.885
+   359         HP     23      TYR    HD1    359     0.115000     1.0080   ; qtot  4.000
+   360         CA     23      TYR    CE1    360    -0.115000    12.0110   ; qtot  3.885
+   361         HP     23      TYR    HE1    361     0.115000     1.0080   ; qtot  4.000
+   362         CA     23      TYR     CZ    362     0.110000    12.0110   ; qtot  4.110
+   363        OH1     23      TYR     OH    363    -0.540000    15.9994   ; qtot  3.570
+   364          H     23      TYR     HH    364     0.430000     1.0080   ; qtot  4.000
+   365         CA     23      TYR    CD2    365    -0.115000    12.0110   ; qtot  3.885
+   366         HP     23      TYR    HD2    366     0.115000     1.0080   ; qtot  4.000
+   367         CA     23      TYR    CE2    367    -0.115000    12.0110   ; qtot  3.885
+   368         HP     23      TYR    HE2    368     0.115000     1.0080   ; qtot  4.000
+   369          C     23      TYR      C    369     0.510000    12.0110   ; qtot  4.510
+   370          O     23      TYR      O    370    -0.510000    15.9994   ; qtot  4.000
+   371        NH1     24      SER      N    371    -0.470000    14.0070   ; qtot  3.530
+   372          H     24      SER     HN    372     0.310000     1.0080   ; qtot  3.840
+   373        CT1     24      SER     CA    373     0.070000    12.0110   ; qtot  3.910
+   374        HB1     24      SER     HA    374     0.090000     1.0080   ; qtot  4.000
+   375        CT2     24      SER     CB    375     0.050000    12.0110   ; qtot  4.050
+   376        HA2     24      SER    HB1    376     0.090000     1.0080   ; qtot  4.140
+   377        HA2     24      SER    HB2    377     0.090000     1.0080   ; qtot  4.230
+   378        OH1     24      SER     OG    378    -0.660000    15.9994   ; qtot  3.570
+   379          H     24      SER    HG1    379     0.430000     1.0080   ; qtot  4.000
+   380          C     24      SER      C    380     0.510000    12.0110   ; qtot  4.510
+   381          O     24      SER      O    381    -0.510000    15.9994   ; qtot  4.000
+   382        NH1     25      LEU      N    382    -0.470000    14.0070   ; qtot  3.530
+   383          H     25      LEU     HN    383     0.310000     1.0080   ; qtot  3.840
+   384        CT1     25      LEU     CA    384     0.070000    12.0110   ; qtot  3.910
+   385        HB1     25      LEU     HA    385     0.090000     1.0080   ; qtot  4.000
+   386        CT2     25      LEU     CB    386    -0.180000    12.0110   ; qtot  3.820
+   387        HA2     25      LEU    HB1    387     0.090000     1.0080   ; qtot  3.910
+   388        HA2     25      LEU    HB2    388     0.090000     1.0080   ; qtot  4.000
+   389        CT1     25      LEU     CG    389    -0.090000    12.0110   ; qtot  3.910
+   390        HA1     25      LEU     HG    390     0.090000     1.0080   ; qtot  4.000
+   391        CT3     25      LEU    CD1    391    -0.270000    12.0110   ; qtot  3.730
+   392        HA3     25      LEU   HD11    392     0.090000     1.0080   ; qtot  3.820
+   393        HA3     25      LEU   HD12    393     0.090000     1.0080   ; qtot  3.910
+   394        HA3     25      LEU   HD13    394     0.090000     1.0080   ; qtot  4.000
+   395        CT3     25      LEU    CD2    395    -0.270000    12.0110   ; qtot  3.730
+   396        HA3     25      LEU   HD21    396     0.090000     1.0080   ; qtot  3.820
+   397        HA3     25      LEU   HD22    397     0.090000     1.0080   ; qtot  3.910
+   398        HA3     25      LEU   HD23    398     0.090000     1.0080   ; qtot  4.000
+   399          C     25      LEU      C    399     0.510000    12.0110   ; qtot  4.510
+   400          O     25      LEU      O    400    -0.510000    15.9994   ; qtot  4.000
+   401        NH1     26      GLY      N    401    -0.470000    14.0070   ; qtot  3.530
+   402          H     26      GLY     HN    402     0.310000     1.0080   ; qtot  3.840
+   403        CT2     26      GLY     CA    403    -0.020000    12.0110   ; qtot  3.820
+   404        HB2     26      GLY    HA1    404     0.090000     1.0080   ; qtot  3.910
+   405        HB2     26      GLY    HA2    405     0.090000     1.0080   ; qtot  4.000
+   406          C     26      GLY      C    406     0.510000    12.0110   ; qtot  4.510
+   407          O     26      GLY      O    407    -0.510000    15.9994   ; qtot  4.000
+   408        NH1     27      ASN      N    408    -0.470000    14.0070   ; qtot  3.530
+   409          H     27      ASN     HN    409     0.310000     1.0080   ; qtot  3.840
+   410        CT1     27      ASN     CA    410     0.070000    12.0110   ; qtot  3.910
+   411        HB1     27      ASN     HA    411     0.090000     1.0080   ; qtot  4.000
+   412        CT2     27      ASN     CB    412    -0.180000    12.0110   ; qtot  3.820
+   413        HA2     27      ASN    HB1    413     0.090000     1.0080   ; qtot  3.910
+   414        HA2     27      ASN    HB2    414     0.090000     1.0080   ; qtot  4.000
+   415         CC     27      ASN     CG    415     0.550000    12.0110   ; qtot  4.550
+   416          O     27      ASN    OD1    416    -0.550000    15.9994   ; qtot  4.000
+   417        NH2     27      ASN    ND2    417    -0.620000    14.0070   ; qtot  3.380
+   418          H     27      ASN   HD21    418     0.320000     1.0080   ; qtot  3.700
+   419          H     27      ASN   HD22    419     0.300000     1.0080   ; qtot  4.000
+   420          C     27      ASN      C    420     0.510000    12.0110   ; qtot  4.510
+   421          O     27      ASN      O    421    -0.510000    15.9994   ; qtot  4.000
+   422        NH1     28      TRP      N    422    -0.470000    14.0070   ; qtot  3.530
+   423          H     28      TRP     HN    423     0.310000     1.0080   ; qtot  3.840
+   424        CT1     28      TRP     CA    424     0.070000    12.0110   ; qtot  3.910
+   425        HB1     28      TRP     HA    425     0.090000     1.0080   ; qtot  4.000
+   426        CT2     28      TRP     CB    426    -0.180000    12.0110   ; qtot  3.820
+   427        HA2     28      TRP    HB1    427     0.090000     1.0080   ; qtot  3.910
+   428        HA2     28      TRP    HB2    428     0.090000     1.0080   ; qtot  4.000
+   429         CY     28      TRP     CG    429    -0.030000    12.0110   ; qtot  3.970
+   430         CA     28      TRP    CD1    430    -0.150000    12.0110   ; qtot  3.820
+   431         HP     28      TRP    HD1    431     0.220000     1.0080   ; qtot  4.040
+   432         NY     28      TRP    NE1    432    -0.510000    14.0070   ; qtot  3.530
+   433          H     28      TRP    HE1    433     0.370000     1.0080   ; qtot  3.900
+   434        CPT     28      TRP    CE2    434     0.240000    12.0110   ; qtot  4.140
+   435        CPT     28      TRP    CD2    435     0.110000    12.0110   ; qtot  4.250
+   436        CAI     28      TRP    CE3    436    -0.250000    12.0110   ; qtot  4.000
+   437         HP     28      TRP    HE3    437     0.170000     1.0080   ; qtot  4.170
+   438         CA     28      TRP    CZ3    438    -0.200000    12.0110   ; qtot  3.970
+   439         HP     28      TRP    HZ3    439     0.140000     1.0080   ; qtot  4.110
+   440        CAI     28      TRP    CZ2    440    -0.270000    12.0110   ; qtot  3.840
+   441         HP     28      TRP    HZ2    441     0.160000     1.0080   ; qtot  4.000
+   442         CA     28      TRP    CH2    442    -0.140000    12.0110   ; qtot  3.860
+   443         HP     28      TRP    HH2    443     0.140000     1.0080   ; qtot  4.000
+   444          C     28      TRP      C    444     0.510000    12.0110   ; qtot  4.510
+   445          O     28      TRP      O    445    -0.510000    15.9994   ; qtot  4.000
+   446        NH1     29      VAL      N    446    -0.470000    14.0070   ; qtot  3.530
+   447          H     29      VAL     HN    447     0.310000     1.0080   ; qtot  3.840
+   448        CT1     29      VAL     CA    448     0.070000    12.0110   ; qtot  3.910
+   449        HB1     29      VAL     HA    449     0.090000     1.0080   ; qtot  4.000
+   450        CT1     29      VAL     CB    450    -0.090000    12.0110   ; qtot  3.910
+   451        HA1     29      VAL     HB    451     0.090000     1.0080   ; qtot  4.000
+   452        CT3     29      VAL    CG1    452    -0.270000    12.0110   ; qtot  3.730
+   453        HA3     29      VAL   HG11    453     0.090000     1.0080   ; qtot  3.820
+   454        HA3     29      VAL   HG12    454     0.090000     1.0080   ; qtot  3.910
+   455        HA3     29      VAL   HG13    455     0.090000     1.0080   ; qtot  4.000
+   456        CT3     29      VAL    CG2    456    -0.270000    12.0110   ; qtot  3.730
+   457        HA3     29      VAL   HG21    457     0.090000     1.0080   ; qtot  3.820
+   458        HA3     29      VAL   HG22    458     0.090000     1.0080   ; qtot  3.910
+   459        HA3     29      VAL   HG23    459     0.090000     1.0080   ; qtot  4.000
+   460          C     29      VAL      C    460     0.510000    12.0110   ; qtot  4.510
+   461          O     29      VAL      O    461    -0.510000    15.9994   ; qtot  4.000
+   462        NH1     30      CYS      N    462    -0.470000    14.0070   ; qtot  3.530
+   463          H     30      CYS     HN    463     0.310000     1.0080   ; qtot  3.840
+   464        CT1     30      CYS     CA    464     0.070000    12.0110   ; qtot  3.910
+   465        HB1     30      CYS     HA    465     0.090000     1.0080   ; qtot  4.000
+   466        CT2     30      CYS     CB    466    -0.100000    12.0110   ; qtot  3.900
+   467        HA2     30      CYS    HB1    467     0.090000     1.0080   ; qtot  3.990
+   468        HA2     30      CYS    HB2    468     0.090000     1.0080   ; qtot  4.080
+   469         SM     30      CYS     SG    469    -0.080000    32.0600   ; qtot  4.000
+   470          C     30      CYS      C    470     0.510000    12.0110   ; qtot  4.510
+   471          O     30      CYS      O    471    -0.510000    15.9994   ; qtot  4.000
+   472        NH1     31      ALA      N    472    -0.470000    14.0070   ; qtot  3.530
+   473          H     31      ALA     HN    473     0.310000     1.0080   ; qtot  3.840
+   474        CT1     31      ALA     CA    474     0.070000    12.0110   ; qtot  3.910
+   475        HB1     31      ALA     HA    475     0.090000     1.0080   ; qtot  4.000
+   476        CT3     31      ALA     CB    476    -0.270000    12.0110   ; qtot  3.730
+   477        HA3     31      ALA    HB1    477     0.090000     1.0080   ; qtot  3.820
+   478        HA3     31      ALA    HB2    478     0.090000     1.0080   ; qtot  3.910
+   479        HA3     31      ALA    HB3    479     0.090000     1.0080   ; qtot  4.000
+   480          C     31      ALA      C    480     0.510000    12.0110   ; qtot  4.510
+   481          O     31      ALA      O    481    -0.510000    15.9994   ; qtot  4.000
+   482        NH1     32      ALA      N    482    -0.470000    14.0070   ; qtot  3.530
+   483          H     32      ALA     HN    483     0.310000     1.0080   ; qtot  3.840
+   484        CT1     32      ALA     CA    484     0.070000    12.0110   ; qtot  3.910
+   485        HB1     32      ALA     HA    485     0.090000     1.0080   ; qtot  4.000
+   486        CT3     32      ALA     CB    486    -0.270000    12.0110   ; qtot  3.730
+   487        HA3     32      ALA    HB1    487     0.090000     1.0080   ; qtot  3.820
+   488        HA3     32      ALA    HB2    488     0.090000     1.0080   ; qtot  3.910
+   489        HA3     32      ALA    HB3    489     0.090000     1.0080   ; qtot  4.000
+   490          C     32      ALA      C    490     0.510000    12.0110   ; qtot  4.510
+   491          O     32      ALA      O    491    -0.510000    15.9994   ; qtot  4.000
+   492        NH1     33      LYS      N    492    -0.470000    14.0070   ; qtot  3.530
+   493          H     33      LYS     HN    493     0.310000     1.0080   ; qtot  3.840
+   494        CT1     33      LYS     CA    494     0.070000    12.0110   ; qtot  3.910
+   495        HB1     33      LYS     HA    495     0.090000     1.0080   ; qtot  4.000
+   496        CT2     33      LYS     CB    496    -0.180000    12.0110   ; qtot  3.820
+   497        HA2     33      LYS    HB1    497     0.090000     1.0080   ; qtot  3.910
+   498        HA2     33      LYS    HB2    498     0.090000     1.0080   ; qtot  4.000
+   499        CT2     33      LYS     CG    499    -0.180000    12.0110   ; qtot  3.820
+   500        HA2     33      LYS    HG1    500     0.090000     1.0080   ; qtot  3.910
+   501        HA2     33      LYS    HG2    501     0.090000     1.0080   ; qtot  4.000
+   502        CT2     33      LYS     CD    502    -0.180000    12.0110   ; qtot  3.820
+   503        HA2     33      LYS    HD1    503     0.090000     1.0080   ; qtot  3.910
+   504        HA2     33      LYS    HD2    504     0.090000     1.0080   ; qtot  4.000
+   505        CT2     33      LYS     CE    505     0.210000    12.0110   ; qtot  4.210
+   506        HA2     33      LYS    HE1    506     0.050000     1.0080   ; qtot  4.260
+   507        HA2     33      LYS    HE2    507     0.050000     1.0080   ; qtot  4.310
+   508        NH3     33      LYS     NZ    508    -0.300000    14.0070   ; qtot  4.010
+   509         HC     33      LYS    HZ1    509     0.330000     1.0080   ; qtot  4.340
+   510         HC     33      LYS    HZ2    510     0.330000     1.0080   ; qtot  4.670
+   511         HC     33      LYS    HZ3    511     0.330000     1.0080   ; qtot  5.000
+   512          C     33      LYS      C    512     0.510000    12.0110   ; qtot  5.510
+   513          O     33      LYS      O    513    -0.510000    15.9994   ; qtot  5.000
+   514        NH1     34      PHE      N    514    -0.470000    14.0070   ; qtot  4.530
+   515          H     34      PHE     HN    515     0.310000     1.0080   ; qtot  4.840
+   516        CT1     34      PHE     CA    516     0.070000    12.0110   ; qtot  4.910
+   517        HB1     34      PHE     HA    517     0.090000     1.0080   ; qtot  5.000
+   518        CT2     34      PHE     CB    518    -0.180000    12.0110   ; qtot  4.820
+   519        HA2     34      PHE    HB1    519     0.090000     1.0080   ; qtot  4.910
+   520        HA2     34      PHE    HB2    520     0.090000     1.0080   ; qtot  5.000
+   521         CA     34      PHE     CG    521     0.000000    12.0110   ; qtot  5.000
+   522         CA     34      PHE    CD1    522    -0.115000    12.0110   ; qtot  4.885
+   523         HP     34      PHE    HD1    523     0.115000     1.0080   ; qtot  5.000
+   524         CA     34      PHE    CE1    524    -0.115000    12.0110   ; qtot  4.885
+   525         HP     34      PHE    HE1    525     0.115000     1.0080   ; qtot  5.000
+   526         CA     34      PHE     CZ    526    -0.115000    12.0110   ; qtot  4.885
+   527         HP     34      PHE     HZ    527     0.115000     1.0080   ; qtot  5.000
+   528         CA     34      PHE    CD2    528    -0.115000    12.0110   ; qtot  4.885
+   529         HP     34      PHE    HD2    529     0.115000     1.0080   ; qtot  5.000
+   530         CA     34      PHE    CE2    530    -0.115000    12.0110   ; qtot  4.885
+   531         HP     34      PHE    HE2    531     0.115000     1.0080   ; qtot  5.000
+   532          C     34      PHE      C    532     0.510000    12.0110   ; qtot  5.510
+   533          O     34      PHE      O    533    -0.510000    15.9994   ; qtot  5.000
+   534        NH1     35      GLU      N    534    -0.470000    14.0070   ; qtot  4.530
+   535          H     35      GLU     HN    535     0.310000     1.0080   ; qtot  4.840
+   536        CT1     35      GLU     CA    536     0.070000    12.0110   ; qtot  4.910
+   537        HB1     35      GLU     HA    537     0.090000     1.0080   ; qtot  5.000
+   538       CT2A     35      GLU     CB    538    -0.180000    12.0110   ; qtot  4.820
+   539        HA2     35      GLU    HB1    539     0.090000     1.0080   ; qtot  4.910
+   540        HA2     35      GLU    HB2    540     0.090000     1.0080   ; qtot  5.000
+   541        CT2     35      GLU     CG    541    -0.280000    12.0110   ; qtot  4.720
+   542        HA2     35      GLU    HG1    542     0.090000     1.0080   ; qtot  4.810
+   543        HA2     35      GLU    HG2    543     0.090000     1.0080   ; qtot  4.900
+   544         CC     35      GLU     CD    544     0.620000    12.0110   ; qtot  5.520
+   545         OC     35      GLU    OE1    545    -0.760000    15.9994   ; qtot  4.760
+   546         OC     35      GLU    OE2    546    -0.760000    15.9994   ; qtot  4.000
+   547          C     35      GLU      C    547     0.510000    12.0110   ; qtot  4.510
+   548          O     35      GLU      O    548    -0.510000    15.9994   ; qtot  4.000
+   549        NH1     36      SER      N    549    -0.470000    14.0070   ; qtot  3.530
+   550          H     36      SER     HN    550     0.310000     1.0080   ; qtot  3.840
+   551        CT1     36      SER     CA    551     0.070000    12.0110   ; qtot  3.910
+   552        HB1     36      SER     HA    552     0.090000     1.0080   ; qtot  4.000
+   553        CT2     36      SER     CB    553     0.050000    12.0110   ; qtot  4.050
+   554        HA2     36      SER    HB1    554     0.090000     1.0080   ; qtot  4.140
+   555        HA2     36      SER    HB2    555     0.090000     1.0080   ; qtot  4.230
+   556        OH1     36      SER     OG    556    -0.660000    15.9994   ; qtot  3.570
+   557          H     36      SER    HG1    557     0.430000     1.0080   ; qtot  4.000
+   558          C     36      SER      C    558     0.510000    12.0110   ; qtot  4.510
+   559          O     36      SER      O    559    -0.510000    15.9994   ; qtot  4.000
+   560        NH1     37      ASN      N    560    -0.470000    14.0070   ; qtot  3.530
+   561          H     37      ASN     HN    561     0.310000     1.0080   ; qtot  3.840
+   562        CT1     37      ASN     CA    562     0.070000    12.0110   ; qtot  3.910
+   563        HB1     37      ASN     HA    563     0.090000     1.0080   ; qtot  4.000
+   564        CT2     37      ASN     CB    564    -0.180000    12.0110   ; qtot  3.820
+   565        HA2     37      ASN    HB1    565     0.090000     1.0080   ; qtot  3.910
+   566        HA2     37      ASN    HB2    566     0.090000     1.0080   ; qtot  4.000
+   567         CC     37      ASN     CG    567     0.550000    12.0110   ; qtot  4.550
+   568          O     37      ASN    OD1    568    -0.550000    15.9994   ; qtot  4.000
+   569        NH2     37      ASN    ND2    569    -0.620000    14.0070   ; qtot  3.380
+   570          H     37      ASN   HD21    570     0.320000     1.0080   ; qtot  3.700
+   571          H     37      ASN   HD22    571     0.300000     1.0080   ; qtot  4.000
+   572          C     37      ASN      C    572     0.510000    12.0110   ; qtot  4.510
+   573          O     37      ASN      O    573    -0.510000    15.9994   ; qtot  4.000
+   574        NH1     38      PHE      N    574    -0.470000    14.0070   ; qtot  3.530
+   575          H     38      PHE     HN    575     0.310000     1.0080   ; qtot  3.840
+   576        CT1     38      PHE     CA    576     0.070000    12.0110   ; qtot  3.910
+   577        HB1     38      PHE     HA    577     0.090000     1.0080   ; qtot  4.000
+   578        CT2     38      PHE     CB    578    -0.180000    12.0110   ; qtot  3.820
+   579        HA2     38      PHE    HB1    579     0.090000     1.0080   ; qtot  3.910
+   580        HA2     38      PHE    HB2    580     0.090000     1.0080   ; qtot  4.000
+   581         CA     38      PHE     CG    581     0.000000    12.0110   ; qtot  4.000
+   582         CA     38      PHE    CD1    582    -0.115000    12.0110   ; qtot  3.885
+   583         HP     38      PHE    HD1    583     0.115000     1.0080   ; qtot  4.000
+   584         CA     38      PHE    CE1    584    -0.115000    12.0110   ; qtot  3.885
+   585         HP     38      PHE    HE1    585     0.115000     1.0080   ; qtot  4.000
+   586         CA     38      PHE     CZ    586    -0.115000    12.0110   ; qtot  3.885
+   587         HP     38      PHE     HZ    587     0.115000     1.0080   ; qtot  4.000
+   588         CA     38      PHE    CD2    588    -0.115000    12.0110   ; qtot  3.885
+   589         HP     38      PHE    HD2    589     0.115000     1.0080   ; qtot  4.000
+   590         CA     38      PHE    CE2    590    -0.115000    12.0110   ; qtot  3.885
+   591         HP     38      PHE    HE2    591     0.115000     1.0080   ; qtot  4.000
+   592          C     38      PHE      C    592     0.510000    12.0110   ; qtot  4.510
+   593          O     38      PHE      O    593    -0.510000    15.9994   ; qtot  4.000
+   594        NH1     39      ASN      N    594    -0.470000    14.0070   ; qtot  3.530
+   595          H     39      ASN     HN    595     0.310000     1.0080   ; qtot  3.840
+   596        CT1     39      ASN     CA    596     0.070000    12.0110   ; qtot  3.910
+   597        HB1     39      ASN     HA    597     0.090000     1.0080   ; qtot  4.000
+   598        CT2     39      ASN     CB    598    -0.180000    12.0110   ; qtot  3.820
+   599        HA2     39      ASN    HB1    599     0.090000     1.0080   ; qtot  3.910
+   600        HA2     39      ASN    HB2    600     0.090000     1.0080   ; qtot  4.000
+   601         CC     39      ASN     CG    601     0.550000    12.0110   ; qtot  4.550
+   602          O     39      ASN    OD1    602    -0.550000    15.9994   ; qtot  4.000
+   603        NH2     39      ASN    ND2    603    -0.620000    14.0070   ; qtot  3.380
+   604          H     39      ASN   HD21    604     0.320000     1.0080   ; qtot  3.700
+   605          H     39      ASN   HD22    605     0.300000     1.0080   ; qtot  4.000
+   606          C     39      ASN      C    606     0.510000    12.0110   ; qtot  4.510
+   607          O     39      ASN      O    607    -0.510000    15.9994   ; qtot  4.000
+   608        NH1     40      THR      N    608    -0.470000    14.0070   ; qtot  3.530
+   609          H     40      THR     HN    609     0.310000     1.0080   ; qtot  3.840
+   610        CT1     40      THR     CA    610     0.070000    12.0110   ; qtot  3.910
+   611        HB1     40      THR     HA    611     0.090000     1.0080   ; qtot  4.000
+   612        CT1     40      THR     CB    612     0.140000    12.0110   ; qtot  4.140
+   613        HA1     40      THR     HB    613     0.090000     1.0080   ; qtot  4.230
+   614        OH1     40      THR    OG1    614    -0.660000    15.9994   ; qtot  3.570
+   615          H     40      THR    HG1    615     0.430000     1.0080   ; qtot  4.000
+   616        CT3     40      THR    CG2    616    -0.270000    12.0110   ; qtot  3.730
+   617        HA3     40      THR   HG21    617     0.090000     1.0080   ; qtot  3.820
+   618        HA3     40      THR   HG22    618     0.090000     1.0080   ; qtot  3.910
+   619        HA3     40      THR   HG23    619     0.090000     1.0080   ; qtot  4.000
+   620          C     40      THR      C    620     0.510000    12.0110   ; qtot  4.510
+   621          O     40      THR      O    621    -0.510000    15.9994   ; qtot  4.000
+   622        NH1     41      GLN      N    622    -0.470000    14.0070   ; qtot  3.530
+   623          H     41      GLN     HN    623     0.310000     1.0080   ; qtot  3.840
+   624        CT1     41      GLN     CA    624     0.070000    12.0110   ; qtot  3.910
+   625        HB1     41      GLN     HA    625     0.090000     1.0080   ; qtot  4.000
+   626        CT2     41      GLN     CB    626    -0.180000    12.0110   ; qtot  3.820
+   627        HA2     41      GLN    HB1    627     0.090000     1.0080   ; qtot  3.910
+   628        HA2     41      GLN    HB2    628     0.090000     1.0080   ; qtot  4.000
+   629        CT2     41      GLN     CG    629    -0.180000    12.0110   ; qtot  3.820
+   630        HA2     41      GLN    HG1    630     0.090000     1.0080   ; qtot  3.910
+   631        HA2     41      GLN    HG2    631     0.090000     1.0080   ; qtot  4.000
+   632         CC     41      GLN     CD    632     0.550000    12.0110   ; qtot  4.550
+   633          O     41      GLN    OE1    633    -0.550000    15.9994   ; qtot  4.000
+   634        NH2     41      GLN    NE2    634    -0.620000    14.0070   ; qtot  3.380
+   635          H     41      GLN   HE21    635     0.320000     1.0080   ; qtot  3.700
+   636          H     41      GLN   HE22    636     0.300000     1.0080   ; qtot  4.000
+   637          C     41      GLN      C    637     0.510000    12.0110   ; qtot  4.510
+   638          O     41      GLN      O    638    -0.510000    15.9994   ; qtot  4.000
+   639        NH1     42      ALA      N    639    -0.470000    14.0070   ; qtot  3.530
+   640          H     42      ALA     HN    640     0.310000     1.0080   ; qtot  3.840
+   641        CT1     42      ALA     CA    641     0.070000    12.0110   ; qtot  3.910
+   642        HB1     42      ALA     HA    642     0.090000     1.0080   ; qtot  4.000
+   643        CT3     42      ALA     CB    643    -0.270000    12.0110   ; qtot  3.730
+   644        HA3     42      ALA    HB1    644     0.090000     1.0080   ; qtot  3.820
+   645        HA3     42      ALA    HB2    645     0.090000     1.0080   ; qtot  3.910
+   646        HA3     42      ALA    HB3    646     0.090000     1.0080   ; qtot  4.000
+   647          C     42      ALA      C    647     0.510000    12.0110   ; qtot  4.510
+   648          O     42      ALA      O    648    -0.510000    15.9994   ; qtot  4.000
+   649        NH1     43      THR      N    649    -0.470000    14.0070   ; qtot  3.530
+   650          H     43      THR     HN    650     0.310000     1.0080   ; qtot  3.840
+   651        CT1     43      THR     CA    651     0.070000    12.0110   ; qtot  3.910
+   652        HB1     43      THR     HA    652     0.090000     1.0080   ; qtot  4.000
+   653        CT1     43      THR     CB    653     0.140000    12.0110   ; qtot  4.140
+   654        HA1     43      THR     HB    654     0.090000     1.0080   ; qtot  4.230
+   655        OH1     43      THR    OG1    655    -0.660000    15.9994   ; qtot  3.570
+   656          H     43      THR    HG1    656     0.430000     1.0080   ; qtot  4.000
+   657        CT3     43      THR    CG2    657    -0.270000    12.0110   ; qtot  3.730
+   658        HA3     43      THR   HG21    658     0.090000     1.0080   ; qtot  3.820
+   659        HA3     43      THR   HG22    659     0.090000     1.0080   ; qtot  3.910
+   660        HA3     43      THR   HG23    660     0.090000     1.0080   ; qtot  4.000
+   661          C     43      THR      C    661     0.510000    12.0110   ; qtot  4.510
+   662          O     43      THR      O    662    -0.510000    15.9994   ; qtot  4.000
+   663        NH1     44      ASN      N    663    -0.470000    14.0070   ; qtot  3.530
+   664          H     44      ASN     HN    664     0.310000     1.0080   ; qtot  3.840
+   665        CT1     44      ASN     CA    665     0.070000    12.0110   ; qtot  3.910
+   666        HB1     44      ASN     HA    666     0.090000     1.0080   ; qtot  4.000
+   667        CT2     44      ASN     CB    667    -0.180000    12.0110   ; qtot  3.820
+   668        HA2     44      ASN    HB1    668     0.090000     1.0080   ; qtot  3.910
+   669        HA2     44      ASN    HB2    669     0.090000     1.0080   ; qtot  4.000
+   670         CC     44      ASN     CG    670     0.550000    12.0110   ; qtot  4.550
+   671          O     44      ASN    OD1    671    -0.550000    15.9994   ; qtot  4.000
+   672        NH2     44      ASN    ND2    672    -0.620000    14.0070   ; qtot  3.380
+   673          H     44      ASN   HD21    673     0.320000     1.0080   ; qtot  3.700
+   674          H     44      ASN   HD22    674     0.300000     1.0080   ; qtot  4.000
+   675          C     44      ASN      C    675     0.510000    12.0110   ; qtot  4.510
+   676          O     44      ASN      O    676    -0.510000    15.9994   ; qtot  4.000
+   677        NH1     45      ARG      N    677    -0.470000    14.0070   ; qtot  3.530
+   678          H     45      ARG     HN    678     0.310000     1.0080   ; qtot  3.840
+   679        CT1     45      ARG     CA    679     0.070000    12.0110   ; qtot  3.910
+   680        HB1     45      ARG     HA    680     0.090000     1.0080   ; qtot  4.000
+   681        CT2     45      ARG     CB    681    -0.180000    12.0110   ; qtot  3.820
+   682        HA2     45      ARG    HB1    682     0.090000     1.0080   ; qtot  3.910
+   683        HA2     45      ARG    HB2    683     0.090000     1.0080   ; qtot  4.000
+   684        CT2     45      ARG     CG    684    -0.180000    12.0110   ; qtot  3.820
+   685        HA2     45      ARG    HG1    685     0.090000     1.0080   ; qtot  3.910
+   686        HA2     45      ARG    HG2    686     0.090000     1.0080   ; qtot  4.000
+   687        CT2     45      ARG     CD    687     0.200000    12.0110   ; qtot  4.200
+   688        HA2     45      ARG    HD1    688     0.090000     1.0080   ; qtot  4.290
+   689        HA2     45      ARG    HD2    689     0.090000     1.0080   ; qtot  4.380
+   690        NC2     45      ARG     NE    690    -0.700000    14.0070   ; qtot  3.680
+   691         HC     45      ARG     HE    691     0.440000     1.0080   ; qtot  4.120
+   692          C     45      ARG     CZ    692     0.640000    12.0110   ; qtot  4.760
+   693        NC2     45      ARG    NH1    693    -0.800000    14.0070   ; qtot  3.960
+   694         HC     45      ARG   HH11    694     0.460000     1.0080   ; qtot  4.420
+   695         HC     45      ARG   HH12    695     0.460000     1.0080   ; qtot  4.880
+   696        NC2     45      ARG    NH2    696    -0.800000    14.0070   ; qtot  4.080
+   697         HC     45      ARG   HH21    697     0.460000     1.0080   ; qtot  4.540
+   698         HC     45      ARG   HH22    698     0.460000     1.0080   ; qtot  5.000
+   699          C     45      ARG      C    699     0.510000    12.0110   ; qtot  5.510
+   700          O     45      ARG      O    700    -0.510000    15.9994   ; qtot  5.000
+   701        NH1     46      ASN      N    701    -0.470000    14.0070   ; qtot  4.530
+   702          H     46      ASN     HN    702     0.310000     1.0080   ; qtot  4.840
+   703        CT1     46      ASN     CA    703     0.070000    12.0110   ; qtot  4.910
+   704        HB1     46      ASN     HA    704     0.090000     1.0080   ; qtot  5.000
+   705        CT2     46      ASN     CB    705    -0.180000    12.0110   ; qtot  4.820
+   706        HA2     46      ASN    HB1    706     0.090000     1.0080   ; qtot  4.910
+   707        HA2     46      ASN    HB2    707     0.090000     1.0080   ; qtot  5.000
+   708         CC     46      ASN     CG    708     0.550000    12.0110   ; qtot  5.550
+   709          O     46      ASN    OD1    709    -0.550000    15.9994   ; qtot  5.000
+   710        NH2     46      ASN    ND2    710    -0.620000    14.0070   ; qtot  4.380
+   711          H     46      ASN   HD21    711     0.320000     1.0080   ; qtot  4.700
+   712          H     46      ASN   HD22    712     0.300000     1.0080   ; qtot  5.000
+   713          C     46      ASN      C    713     0.510000    12.0110   ; qtot  5.510
+   714          O     46      ASN      O    714    -0.510000    15.9994   ; qtot  5.000
+   715        NH1     47      THR      N    715    -0.470000    14.0070   ; qtot  4.530
+   716          H     47      THR     HN    716     0.310000     1.0080   ; qtot  4.840
+   717        CT1     47      THR     CA    717     0.070000    12.0110   ; qtot  4.910
+   718        HB1     47      THR     HA    718     0.090000     1.0080   ; qtot  5.000
+   719        CT1     47      THR     CB    719     0.140000    12.0110   ; qtot  5.140
+   720        HA1     47      THR     HB    720     0.090000     1.0080   ; qtot  5.230
+   721        OH1     47      THR    OG1    721    -0.660000    15.9994   ; qtot  4.570
+   722          H     47      THR    HG1    722     0.430000     1.0080   ; qtot  5.000
+   723        CT3     47      THR    CG2    723    -0.270000    12.0110   ; qtot  4.730
+   724        HA3     47      THR   HG21    724     0.090000     1.0080   ; qtot  4.820
+   725        HA3     47      THR   HG22    725     0.090000     1.0080   ; qtot  4.910
+   726        HA3     47      THR   HG23    726     0.090000     1.0080   ; qtot  5.000
+   727          C     47      THR      C    727     0.510000    12.0110   ; qtot  5.510
+   728          O     47      THR      O    728    -0.510000    15.9994   ; qtot  5.000
+   729        NH1     48      ASP      N    729    -0.470000    14.0070   ; qtot  4.530
+   730          H     48      ASP     HN    730     0.310000     1.0080   ; qtot  4.840
+   731        CT1     48      ASP     CA    731     0.070000    12.0110   ; qtot  4.910
+   732        HB1     48      ASP     HA    732     0.090000     1.0080   ; qtot  5.000
+   733       CT2A     48      ASP     CB    733    -0.280000    12.0110   ; qtot  4.720
+   734        HA2     48      ASP    HB1    734     0.090000     1.0080   ; qtot  4.810
+   735        HA2     48      ASP    HB2    735     0.090000     1.0080   ; qtot  4.900
+   736         CC     48      ASP     CG    736     0.620000    12.0110   ; qtot  5.520
+   737         OC     48      ASP    OD1    737    -0.760000    15.9994   ; qtot  4.760
+   738         OC     48      ASP    OD2    738    -0.760000    15.9994   ; qtot  4.000
+   739          C     48      ASP      C    739     0.510000    12.0110   ; qtot  4.510
+   740          O     48      ASP      O    740    -0.510000    15.9994   ; qtot  4.000
+   741        NH1     49      GLY      N    741    -0.470000    14.0070   ; qtot  3.530
+   742          H     49      GLY     HN    742     0.310000     1.0080   ; qtot  3.840
+   743        CT2     49      GLY     CA    743    -0.020000    12.0110   ; qtot  3.820
+   744        HB2     49      GLY    HA1    744     0.090000     1.0080   ; qtot  3.910
+   745        HB2     49      GLY    HA2    745     0.090000     1.0080   ; qtot  4.000
+   746          C     49      GLY      C    746     0.510000    12.0110   ; qtot  4.510
+   747          O     49      GLY      O    747    -0.510000    15.9994   ; qtot  4.000
+   748        NH1     50      SER      N    748    -0.470000    14.0070   ; qtot  3.530
+   749          H     50      SER     HN    749     0.310000     1.0080   ; qtot  3.840
+   750        CT1     50      SER     CA    750     0.070000    12.0110   ; qtot  3.910
+   751        HB1     50      SER     HA    751     0.090000     1.0080   ; qtot  4.000
+   752        CT2     50      SER     CB    752     0.050000    12.0110   ; qtot  4.050
+   753        HA2     50      SER    HB1    753     0.090000     1.0080   ; qtot  4.140
+   754        HA2     50      SER    HB2    754     0.090000     1.0080   ; qtot  4.230
+   755        OH1     50      SER     OG    755    -0.660000    15.9994   ; qtot  3.570
+   756          H     50      SER    HG1    756     0.430000     1.0080   ; qtot  4.000
+   757          C     50      SER      C    757     0.510000    12.0110   ; qtot  4.510
+   758          O     50      SER      O    758    -0.510000    15.9994   ; qtot  4.000
+   759        NH1     51      THR      N    759    -0.470000    14.0070   ; qtot  3.530
+   760          H     51      THR     HN    760     0.310000     1.0080   ; qtot  3.840
+   761        CT1     51      THR     CA    761     0.070000    12.0110   ; qtot  3.910
+   762        HB1     51      THR     HA    762     0.090000     1.0080   ; qtot  4.000
+   763        CT1     51      THR     CB    763     0.140000    12.0110   ; qtot  4.140
+   764        HA1     51      THR     HB    764     0.090000     1.0080   ; qtot  4.230
+   765        OH1     51      THR    OG1    765    -0.660000    15.9994   ; qtot  3.570
+   766          H     51      THR    HG1    766     0.430000     1.0080   ; qtot  4.000
+   767        CT3     51      THR    CG2    767    -0.270000    12.0110   ; qtot  3.730
+   768        HA3     51      THR   HG21    768     0.090000     1.0080   ; qtot  3.820
+   769        HA3     51      THR   HG22    769     0.090000     1.0080   ; qtot  3.910
+   770        HA3     51      THR   HG23    770     0.090000     1.0080   ; qtot  4.000
+   771          C     51      THR      C    771     0.510000    12.0110   ; qtot  4.510
+   772          O     51      THR      O    772    -0.510000    15.9994   ; qtot  4.000
+   773        NH1     52      ASP      N    773    -0.470000    14.0070   ; qtot  3.530
+   774          H     52      ASP     HN    774     0.310000     1.0080   ; qtot  3.840
+   775        CT1     52      ASP     CA    775     0.070000    12.0110   ; qtot  3.910
+   776        HB1     52      ASP     HA    776     0.090000     1.0080   ; qtot  4.000
+   777       CT2A     52      ASP     CB    777    -0.280000    12.0110   ; qtot  3.720
+   778        HA2     52      ASP    HB1    778     0.090000     1.0080   ; qtot  3.810
+   779        HA2     52      ASP    HB2    779     0.090000     1.0080   ; qtot  3.900
+   780         CC     52      ASP     CG    780     0.620000    12.0110   ; qtot  4.520
+   781         OC     52      ASP    OD1    781    -0.760000    15.9994   ; qtot  3.760
+   782         OC     52      ASP    OD2    782    -0.760000    15.9994   ; qtot  3.000
+   783          C     52      ASP      C    783     0.510000    12.0110   ; qtot  3.510
+   784          O     52      ASP      O    784    -0.510000    15.9994   ; qtot  3.000
+   785        NH1     53      TYR      N    785    -0.470000    14.0070   ; qtot  2.530
+   786          H     53      TYR     HN    786     0.310000     1.0080   ; qtot  2.840
+   787        CT1     53      TYR     CA    787     0.070000    12.0110   ; qtot  2.910
+   788        HB1     53      TYR     HA    788     0.090000     1.0080   ; qtot  3.000
+   789        CT2     53      TYR     CB    789    -0.180000    12.0110   ; qtot  2.820
+   790        HA2     53      TYR    HB1    790     0.090000     1.0080   ; qtot  2.910
+   791        HA2     53      TYR    HB2    791     0.090000     1.0080   ; qtot  3.000
+   792         CA     53      TYR     CG    792     0.000000    12.0110   ; qtot  3.000
+   793         CA     53      TYR    CD1    793    -0.115000    12.0110   ; qtot  2.885
+   794         HP     53      TYR    HD1    794     0.115000     1.0080   ; qtot  3.000
+   795         CA     53      TYR    CE1    795    -0.115000    12.0110   ; qtot  2.885
+   796         HP     53      TYR    HE1    796     0.115000     1.0080   ; qtot  3.000
+   797         CA     53      TYR     CZ    797     0.110000    12.0110   ; qtot  3.110
+   798        OH1     53      TYR     OH    798    -0.540000    15.9994   ; qtot  2.570
+   799          H     53      TYR     HH    799     0.430000     1.0080   ; qtot  3.000
+   800         CA     53      TYR    CD2    800    -0.115000    12.0110   ; qtot  2.885
+   801         HP     53      TYR    HD2    801     0.115000     1.0080   ; qtot  3.000
+   802         CA     53      TYR    CE2    802    -0.115000    12.0110   ; qtot  2.885
+   803         HP     53      TYR    HE2    803     0.115000     1.0080   ; qtot  3.000
+   804          C     53      TYR      C    804     0.510000    12.0110   ; qtot  3.510
+   805          O     53      TYR      O    805    -0.510000    15.9994   ; qtot  3.000
+   806        NH1     54      GLY      N    806    -0.470000    14.0070   ; qtot  2.530
+   807          H     54      GLY     HN    807     0.310000     1.0080   ; qtot  2.840
+   808        CT2     54      GLY     CA    808    -0.020000    12.0110   ; qtot  2.820
+   809        HB2     54      GLY    HA1    809     0.090000     1.0080   ; qtot  2.910
+   810        HB2     54      GLY    HA2    810     0.090000     1.0080   ; qtot  3.000
+   811          C     54      GLY      C    811     0.510000    12.0110   ; qtot  3.510
+   812          O     54      GLY      O    812    -0.510000    15.9994   ; qtot  3.000
+   813        NH1     55      ILE      N    813    -0.470000    14.0070   ; qtot  2.530
+   814          H     55      ILE     HN    814     0.310000     1.0080   ; qtot  2.840
+   815        CT1     55      ILE     CA    815     0.070000    12.0110   ; qtot  2.910
+   816        HB1     55      ILE     HA    816     0.090000     1.0080   ; qtot  3.000
+   817        CT1     55      ILE     CB    817    -0.090000    12.0110   ; qtot  2.910
+   818        HA1     55      ILE     HB    818     0.090000     1.0080   ; qtot  3.000
+   819        CT3     55      ILE    CG2    819    -0.270000    12.0110   ; qtot  2.730
+   820        HA3     55      ILE   HG21    820     0.090000     1.0080   ; qtot  2.820
+   821        HA3     55      ILE   HG22    821     0.090000     1.0080   ; qtot  2.910
+   822        HA3     55      ILE   HG23    822     0.090000     1.0080   ; qtot  3.000
+   823        CT2     55      ILE    CG1    823    -0.180000    12.0110   ; qtot  2.820
+   824        HA2     55      ILE   HG11    824     0.090000     1.0080   ; qtot  2.910
+   825        HA2     55      ILE   HG12    825     0.090000     1.0080   ; qtot  3.000
+   826        CT3     55      ILE     CD    826    -0.270000    12.0110   ; qtot  2.730
+   827        HA3     55      ILE    HD1    827     0.090000     1.0080   ; qtot  2.820
+   828        HA3     55      ILE    HD2    828     0.090000     1.0080   ; qtot  2.910
+   829        HA3     55      ILE    HD3    829     0.090000     1.0080   ; qtot  3.000
+   830          C     55      ILE      C    830     0.510000    12.0110   ; qtot  3.510
+   831          O     55      ILE      O    831    -0.510000    15.9994   ; qtot  3.000
+   832        NH1     56      LEU      N    832    -0.470000    14.0070   ; qtot  2.530
+   833          H     56      LEU     HN    833     0.310000     1.0080   ; qtot  2.840
+   834        CT1     56      LEU     CA    834     0.070000    12.0110   ; qtot  2.910
+   835        HB1     56      LEU     HA    835     0.090000     1.0080   ; qtot  3.000
+   836        CT2     56      LEU     CB    836    -0.180000    12.0110   ; qtot  2.820
+   837        HA2     56      LEU    HB1    837     0.090000     1.0080   ; qtot  2.910
+   838        HA2     56      LEU    HB2    838     0.090000     1.0080   ; qtot  3.000
+   839        CT1     56      LEU     CG    839    -0.090000    12.0110   ; qtot  2.910
+   840        HA1     56      LEU     HG    840     0.090000     1.0080   ; qtot  3.000
+   841        CT3     56      LEU    CD1    841    -0.270000    12.0110   ; qtot  2.730
+   842        HA3     56      LEU   HD11    842     0.090000     1.0080   ; qtot  2.820
+   843        HA3     56      LEU   HD12    843     0.090000     1.0080   ; qtot  2.910
+   844        HA3     56      LEU   HD13    844     0.090000     1.0080   ; qtot  3.000
+   845        CT3     56      LEU    CD2    845    -0.270000    12.0110   ; qtot  2.730
+   846        HA3     56      LEU   HD21    846     0.090000     1.0080   ; qtot  2.820
+   847        HA3     56      LEU   HD22    847     0.090000     1.0080   ; qtot  2.910
+   848        HA3     56      LEU   HD23    848     0.090000     1.0080   ; qtot  3.000
+   849          C     56      LEU      C    849     0.510000    12.0110   ; qtot  3.510
+   850          O     56      LEU      O    850    -0.510000    15.9994   ; qtot  3.000
+   851        NH1     57      GLN      N    851    -0.470000    14.0070   ; qtot  2.530
+   852          H     57      GLN     HN    852     0.310000     1.0080   ; qtot  2.840
+   853        CT1     57      GLN     CA    853     0.070000    12.0110   ; qtot  2.910
+   854        HB1     57      GLN     HA    854     0.090000     1.0080   ; qtot  3.000
+   855        CT2     57      GLN     CB    855    -0.180000    12.0110   ; qtot  2.820
+   856        HA2     57      GLN    HB1    856     0.090000     1.0080   ; qtot  2.910
+   857        HA2     57      GLN    HB2    857     0.090000     1.0080   ; qtot  3.000
+   858        CT2     57      GLN     CG    858    -0.180000    12.0110   ; qtot  2.820
+   859        HA2     57      GLN    HG1    859     0.090000     1.0080   ; qtot  2.910
+   860        HA2     57      GLN    HG2    860     0.090000     1.0080   ; qtot  3.000
+   861         CC     57      GLN     CD    861     0.550000    12.0110   ; qtot  3.550
+   862          O     57      GLN    OE1    862    -0.550000    15.9994   ; qtot  3.000
+   863        NH2     57      GLN    NE2    863    -0.620000    14.0070   ; qtot  2.380
+   864          H     57      GLN   HE21    864     0.320000     1.0080   ; qtot  2.700
+   865          H     57      GLN   HE22    865     0.300000     1.0080   ; qtot  3.000
+   866          C     57      GLN      C    866     0.510000    12.0110   ; qtot  3.510
+   867          O     57      GLN      O    867    -0.510000    15.9994   ; qtot  3.000
+   868        NH1     58      ILE      N    868    -0.470000    14.0070   ; qtot  2.530
+   869          H     58      ILE     HN    869     0.310000     1.0080   ; qtot  2.840
+   870        CT1     58      ILE     CA    870     0.070000    12.0110   ; qtot  2.910
+   871        HB1     58      ILE     HA    871     0.090000     1.0080   ; qtot  3.000
+   872        CT1     58      ILE     CB    872    -0.090000    12.0110   ; qtot  2.910
+   873        HA1     58      ILE     HB    873     0.090000     1.0080   ; qtot  3.000
+   874        CT3     58      ILE    CG2    874    -0.270000    12.0110   ; qtot  2.730
+   875        HA3     58      ILE   HG21    875     0.090000     1.0080   ; qtot  2.820
+   876        HA3     58      ILE   HG22    876     0.090000     1.0080   ; qtot  2.910
+   877        HA3     58      ILE   HG23    877     0.090000     1.0080   ; qtot  3.000
+   878        CT2     58      ILE    CG1    878    -0.180000    12.0110   ; qtot  2.820
+   879        HA2     58      ILE   HG11    879     0.090000     1.0080   ; qtot  2.910
+   880        HA2     58      ILE   HG12    880     0.090000     1.0080   ; qtot  3.000
+   881        CT3     58      ILE     CD    881    -0.270000    12.0110   ; qtot  2.730
+   882        HA3     58      ILE    HD1    882     0.090000     1.0080   ; qtot  2.820
+   883        HA3     58      ILE    HD2    883     0.090000     1.0080   ; qtot  2.910
+   884        HA3     58      ILE    HD3    884     0.090000     1.0080   ; qtot  3.000
+   885          C     58      ILE      C    885     0.510000    12.0110   ; qtot  3.510
+   886          O     58      ILE      O    886    -0.510000    15.9994   ; qtot  3.000
+   887        NH1     59      ASN      N    887    -0.470000    14.0070   ; qtot  2.530
+   888          H     59      ASN     HN    888     0.310000     1.0080   ; qtot  2.840
+   889        CT1     59      ASN     CA    889     0.070000    12.0110   ; qtot  2.910
+   890        HB1     59      ASN     HA    890     0.090000     1.0080   ; qtot  3.000
+   891        CT2     59      ASN     CB    891    -0.180000    12.0110   ; qtot  2.820
+   892        HA2     59      ASN    HB1    892     0.090000     1.0080   ; qtot  2.910
+   893        HA2     59      ASN    HB2    893     0.090000     1.0080   ; qtot  3.000
+   894         CC     59      ASN     CG    894     0.550000    12.0110   ; qtot  3.550
+   895          O     59      ASN    OD1    895    -0.550000    15.9994   ; qtot  3.000
+   896        NH2     59      ASN    ND2    896    -0.620000    14.0070   ; qtot  2.380
+   897          H     59      ASN   HD21    897     0.320000     1.0080   ; qtot  2.700
+   898          H     59      ASN   HD22    898     0.300000     1.0080   ; qtot  3.000
+   899          C     59      ASN      C    899     0.510000    12.0110   ; qtot  3.510
+   900          O     59      ASN      O    900    -0.510000    15.9994   ; qtot  3.000
+   901        NH1     60      SER      N    901    -0.470000    14.0070   ; qtot  2.530
+   902          H     60      SER     HN    902     0.310000     1.0080   ; qtot  2.840
+   903        CT1     60      SER     CA    903     0.070000    12.0110   ; qtot  2.910
+   904        HB1     60      SER     HA    904     0.090000     1.0080   ; qtot  3.000
+   905        CT2     60      SER     CB    905     0.050000    12.0110   ; qtot  3.050
+   906        HA2     60      SER    HB1    906     0.090000     1.0080   ; qtot  3.140
+   907        HA2     60      SER    HB2    907     0.090000     1.0080   ; qtot  3.230
+   908        OH1     60      SER     OG    908    -0.660000    15.9994   ; qtot  2.570
+   909          H     60      SER    HG1    909     0.430000     1.0080   ; qtot  3.000
+   910          C     60      SER      C    910     0.510000    12.0110   ; qtot  3.510
+   911          O     60      SER      O    911    -0.510000    15.9994   ; qtot  3.000
+   912        NH1     61      ARG      N    912    -0.470000    14.0070   ; qtot  2.530
+   913          H     61      ARG     HN    913     0.310000     1.0080   ; qtot  2.840
+   914        CT1     61      ARG     CA    914     0.070000    12.0110   ; qtot  2.910
+   915        HB1     61      ARG     HA    915     0.090000     1.0080   ; qtot  3.000
+   916        CT2     61      ARG     CB    916    -0.180000    12.0110   ; qtot  2.820
+   917        HA2     61      ARG    HB1    917     0.090000     1.0080   ; qtot  2.910
+   918        HA2     61      ARG    HB2    918     0.090000     1.0080   ; qtot  3.000
+   919        CT2     61      ARG     CG    919    -0.180000    12.0110   ; qtot  2.820
+   920        HA2     61      ARG    HG1    920     0.090000     1.0080   ; qtot  2.910
+   921        HA2     61      ARG    HG2    921     0.090000     1.0080   ; qtot  3.000
+   922        CT2     61      ARG     CD    922     0.200000    12.0110   ; qtot  3.200
+   923        HA2     61      ARG    HD1    923     0.090000     1.0080   ; qtot  3.290
+   924        HA2     61      ARG    HD2    924     0.090000     1.0080   ; qtot  3.380
+   925        NC2     61      ARG     NE    925    -0.700000    14.0070   ; qtot  2.680
+   926         HC     61      ARG     HE    926     0.440000     1.0080   ; qtot  3.120
+   927          C     61      ARG     CZ    927     0.640000    12.0110   ; qtot  3.760
+   928        NC2     61      ARG    NH1    928    -0.800000    14.0070   ; qtot  2.960
+   929         HC     61      ARG   HH11    929     0.460000     1.0080   ; qtot  3.420
+   930         HC     61      ARG   HH12    930     0.460000     1.0080   ; qtot  3.880
+   931        NC2     61      ARG    NH2    931    -0.800000    14.0070   ; qtot  3.080
+   932         HC     61      ARG   HH21    932     0.460000     1.0080   ; qtot  3.540
+   933         HC     61      ARG   HH22    933     0.460000     1.0080   ; qtot  4.000
+   934          C     61      ARG      C    934     0.510000    12.0110   ; qtot  4.510
+   935          O     61      ARG      O    935    -0.510000    15.9994   ; qtot  4.000
+   936        NH1     62      TRP      N    936    -0.470000    14.0070   ; qtot  3.530
+   937          H     62      TRP     HN    937     0.310000     1.0080   ; qtot  3.840
+   938        CT1     62      TRP     CA    938     0.070000    12.0110   ; qtot  3.910
+   939        HB1     62      TRP     HA    939     0.090000     1.0080   ; qtot  4.000
+   940        CT2     62      TRP     CB    940    -0.180000    12.0110   ; qtot  3.820
+   941        HA2     62      TRP    HB1    941     0.090000     1.0080   ; qtot  3.910
+   942        HA2     62      TRP    HB2    942     0.090000     1.0080   ; qtot  4.000
+   943         CY     62      TRP     CG    943    -0.030000    12.0110   ; qtot  3.970
+   944         CA     62      TRP    CD1    944    -0.150000    12.0110   ; qtot  3.820
+   945         HP     62      TRP    HD1    945     0.220000     1.0080   ; qtot  4.040
+   946         NY     62      TRP    NE1    946    -0.510000    14.0070   ; qtot  3.530
+   947          H     62      TRP    HE1    947     0.370000     1.0080   ; qtot  3.900
+   948        CPT     62      TRP    CE2    948     0.240000    12.0110   ; qtot  4.140
+   949        CPT     62      TRP    CD2    949     0.110000    12.0110   ; qtot  4.250
+   950        CAI     62      TRP    CE3    950    -0.250000    12.0110   ; qtot  4.000
+   951         HP     62      TRP    HE3    951     0.170000     1.0080   ; qtot  4.170
+   952         CA     62      TRP    CZ3    952    -0.200000    12.0110   ; qtot  3.970
+   953         HP     62      TRP    HZ3    953     0.140000     1.0080   ; qtot  4.110
+   954        CAI     62      TRP    CZ2    954    -0.270000    12.0110   ; qtot  3.840
+   955         HP     62      TRP    HZ2    955     0.160000     1.0080   ; qtot  4.000
+   956         CA     62      TRP    CH2    956    -0.140000    12.0110   ; qtot  3.860
+   957         HP     62      TRP    HH2    957     0.140000     1.0080   ; qtot  4.000
+   958          C     62      TRP      C    958     0.510000    12.0110   ; qtot  4.510
+   959          O     62      TRP      O    959    -0.510000    15.9994   ; qtot  4.000
+   960        NH1     63      TRP      N    960    -0.470000    14.0070   ; qtot  3.530
+   961          H     63      TRP     HN    961     0.310000     1.0080   ; qtot  3.840
+   962        CT1     63      TRP     CA    962     0.070000    12.0110   ; qtot  3.910
+   963        HB1     63      TRP     HA    963     0.090000     1.0080   ; qtot  4.000
+   964        CT2     63      TRP     CB    964    -0.180000    12.0110   ; qtot  3.820
+   965        HA2     63      TRP    HB1    965     0.090000     1.0080   ; qtot  3.910
+   966        HA2     63      TRP    HB2    966     0.090000     1.0080   ; qtot  4.000
+   967         CY     63      TRP     CG    967    -0.030000    12.0110   ; qtot  3.970
+   968         CA     63      TRP    CD1    968    -0.150000    12.0110   ; qtot  3.820
+   969         HP     63      TRP    HD1    969     0.220000     1.0080   ; qtot  4.040
+   970         NY     63      TRP    NE1    970    -0.510000    14.0070   ; qtot  3.530
+   971          H     63      TRP    HE1    971     0.370000     1.0080   ; qtot  3.900
+   972        CPT     63      TRP    CE2    972     0.240000    12.0110   ; qtot  4.140
+   973        CPT     63      TRP    CD2    973     0.110000    12.0110   ; qtot  4.250
+   974        CAI     63      TRP    CE3    974    -0.250000    12.0110   ; qtot  4.000
+   975         HP     63      TRP    HE3    975     0.170000     1.0080   ; qtot  4.170
+   976         CA     63      TRP    CZ3    976    -0.200000    12.0110   ; qtot  3.970
+   977         HP     63      TRP    HZ3    977     0.140000     1.0080   ; qtot  4.110
+   978        CAI     63      TRP    CZ2    978    -0.270000    12.0110   ; qtot  3.840
+   979         HP     63      TRP    HZ2    979     0.160000     1.0080   ; qtot  4.000
+   980         CA     63      TRP    CH2    980    -0.140000    12.0110   ; qtot  3.860
+   981         HP     63      TRP    HH2    981     0.140000     1.0080   ; qtot  4.000
+   982          C     63      TRP      C    982     0.510000    12.0110   ; qtot  4.510
+   983          O     63      TRP      O    983    -0.510000    15.9994   ; qtot  4.000
+   984        NH1     64      CYS      N    984    -0.470000    14.0070   ; qtot  3.530
+   985          H     64      CYS     HN    985     0.310000     1.0080   ; qtot  3.840
+   986        CT1     64      CYS     CA    986     0.070000    12.0110   ; qtot  3.910
+   987        HB1     64      CYS     HA    987     0.090000     1.0080   ; qtot  4.000
+   988        CT2     64      CYS     CB    988    -0.100000    12.0110   ; qtot  3.900
+   989        HA2     64      CYS    HB1    989     0.090000     1.0080   ; qtot  3.990
+   990        HA2     64      CYS    HB2    990     0.090000     1.0080   ; qtot  4.080
+   991         SM     64      CYS     SG    991    -0.080000    32.0600   ; qtot  4.000
+   992          C     64      CYS      C    992     0.510000    12.0110   ; qtot  4.510
+   993          O     64      CYS      O    993    -0.510000    15.9994   ; qtot  4.000
+   994        NH1     65      ASN      N    994    -0.470000    14.0070   ; qtot  3.530
+   995          H     65      ASN     HN    995     0.310000     1.0080   ; qtot  3.840
+   996        CT1     65      ASN     CA    996     0.070000    12.0110   ; qtot  3.910
+   997        HB1     65      ASN     HA    997     0.090000     1.0080   ; qtot  4.000
+   998        CT2     65      ASN     CB    998    -0.180000    12.0110   ; qtot  3.820
+   999        HA2     65      ASN    HB1    999     0.090000     1.0080   ; qtot  3.910
+  1000        HA2     65      ASN    HB2   1000     0.090000     1.0080   ; qtot  4.000
+  1001         CC     65      ASN     CG   1001     0.550000    12.0110   ; qtot  4.550
+  1002          O     65      ASN    OD1   1002    -0.550000    15.9994   ; qtot  4.000
+  1003        NH2     65      ASN    ND2   1003    -0.620000    14.0070   ; qtot  3.380
+  1004          H     65      ASN   HD21   1004     0.320000     1.0080   ; qtot  3.700
+  1005          H     65      ASN   HD22   1005     0.300000     1.0080   ; qtot  4.000
+  1006          C     65      ASN      C   1006     0.510000    12.0110   ; qtot  4.510
+  1007          O     65      ASN      O   1007    -0.510000    15.9994   ; qtot  4.000
+  1008        NH1     66      ASP      N   1008    -0.470000    14.0070   ; qtot  3.530
+  1009          H     66      ASP     HN   1009     0.310000     1.0080   ; qtot  3.840
+  1010        CT1     66      ASP     CA   1010     0.070000    12.0110   ; qtot  3.910
+  1011        HB1     66      ASP     HA   1011     0.090000     1.0080   ; qtot  4.000
+  1012       CT2A     66      ASP     CB   1012    -0.280000    12.0110   ; qtot  3.720
+  1013        HA2     66      ASP    HB1   1013     0.090000     1.0080   ; qtot  3.810
+  1014        HA2     66      ASP    HB2   1014     0.090000     1.0080   ; qtot  3.900
+  1015         CC     66      ASP     CG   1015     0.620000    12.0110   ; qtot  4.520
+  1016         OC     66      ASP    OD1   1016    -0.760000    15.9994   ; qtot  3.760
+  1017         OC     66      ASP    OD2   1017    -0.760000    15.9994   ; qtot  3.000
+  1018          C     66      ASP      C   1018     0.510000    12.0110   ; qtot  3.510
+  1019          O     66      ASP      O   1019    -0.510000    15.9994   ; qtot  3.000
+  1020        NH1     67      GLY      N   1020    -0.470000    14.0070   ; qtot  2.530
+  1021          H     67      GLY     HN   1021     0.310000     1.0080   ; qtot  2.840
+  1022        CT2     67      GLY     CA   1022    -0.020000    12.0110   ; qtot  2.820
+  1023        HB2     67      GLY    HA1   1023     0.090000     1.0080   ; qtot  2.910
+  1024        HB2     67      GLY    HA2   1024     0.090000     1.0080   ; qtot  3.000
+  1025          C     67      GLY      C   1025     0.510000    12.0110   ; qtot  3.510
+  1026          O     67      GLY      O   1026    -0.510000    15.9994   ; qtot  3.000
+  1027        NH1     68      ARG      N   1027    -0.470000    14.0070   ; qtot  2.530
+  1028          H     68      ARG     HN   1028     0.310000     1.0080   ; qtot  2.840
+  1029        CT1     68      ARG     CA   1029     0.070000    12.0110   ; qtot  2.910
+  1030        HB1     68      ARG     HA   1030     0.090000     1.0080   ; qtot  3.000
+  1031        CT2     68      ARG     CB   1031    -0.180000    12.0110   ; qtot  2.820
+  1032        HA2     68      ARG    HB1   1032     0.090000     1.0080   ; qtot  2.910
+  1033        HA2     68      ARG    HB2   1033     0.090000     1.0080   ; qtot  3.000
+  1034        CT2     68      ARG     CG   1034    -0.180000    12.0110   ; qtot  2.820
+  1035        HA2     68      ARG    HG1   1035     0.090000     1.0080   ; qtot  2.910
+  1036        HA2     68      ARG    HG2   1036     0.090000     1.0080   ; qtot  3.000
+  1037        CT2     68      ARG     CD   1037     0.200000    12.0110   ; qtot  3.200
+  1038        HA2     68      ARG    HD1   1038     0.090000     1.0080   ; qtot  3.290
+  1039        HA2     68      ARG    HD2   1039     0.090000     1.0080   ; qtot  3.380
+  1040        NC2     68      ARG     NE   1040    -0.700000    14.0070   ; qtot  2.680
+  1041         HC     68      ARG     HE   1041     0.440000     1.0080   ; qtot  3.120
+  1042          C     68      ARG     CZ   1042     0.640000    12.0110   ; qtot  3.760
+  1043        NC2     68      ARG    NH1   1043    -0.800000    14.0070   ; qtot  2.960
+  1044         HC     68      ARG   HH11   1044     0.460000     1.0080   ; qtot  3.420
+  1045         HC     68      ARG   HH12   1045     0.460000     1.0080   ; qtot  3.880
+  1046        NC2     68      ARG    NH2   1046    -0.800000    14.0070   ; qtot  3.080
+  1047         HC     68      ARG   HH21   1047     0.460000     1.0080   ; qtot  3.540
+  1048         HC     68      ARG   HH22   1048     0.460000     1.0080   ; qtot  4.000
+  1049          C     68      ARG      C   1049     0.510000    12.0110   ; qtot  4.510
+  1050          O     68      ARG      O   1050    -0.510000    15.9994   ; qtot  4.000
+  1051        NH1     69      THR      N   1051    -0.470000    14.0070   ; qtot  3.530
+  1052          H     69      THR     HN   1052     0.310000     1.0080   ; qtot  3.840
+  1053        CT1     69      THR     CA   1053     0.070000    12.0110   ; qtot  3.910
+  1054        HB1     69      THR     HA   1054     0.090000     1.0080   ; qtot  4.000
+  1055        CT1     69      THR     CB   1055     0.140000    12.0110   ; qtot  4.140
+  1056        HA1     69      THR     HB   1056     0.090000     1.0080   ; qtot  4.230
+  1057        OH1     69      THR    OG1   1057    -0.660000    15.9994   ; qtot  3.570
+  1058          H     69      THR    HG1   1058     0.430000     1.0080   ; qtot  4.000
+  1059        CT3     69      THR    CG2   1059    -0.270000    12.0110   ; qtot  3.730
+  1060        HA3     69      THR   HG21   1060     0.090000     1.0080   ; qtot  3.820
+  1061        HA3     69      THR   HG22   1061     0.090000     1.0080   ; qtot  3.910
+  1062        HA3     69      THR   HG23   1062     0.090000     1.0080   ; qtot  4.000
+  1063          C     69      THR      C   1063     0.510000    12.0110   ; qtot  4.510
+  1064          O     69      THR      O   1064    -0.510000    15.9994   ; qtot  4.000
+  1065          N     70      PRO      N   1065    -0.290000    14.0070   ; qtot  3.710
+  1066        CP3     70      PRO     CD   1066     0.000000    12.0110   ; qtot  3.710
+  1067        HA2     70      PRO    HD1   1067     0.090000     1.0080   ; qtot  3.800
+  1068        HA2     70      PRO    HD2   1068     0.090000     1.0080   ; qtot  3.890
+  1069        CP1     70      PRO     CA   1069     0.020000    12.0110   ; qtot  3.910
+  1070        HB1     70      PRO     HA   1070     0.090000     1.0080   ; qtot  4.000
+  1071        CP2     70      PRO     CB   1071    -0.180000    12.0110   ; qtot  3.820
+  1072        HA2     70      PRO    HB1   1072     0.090000     1.0080   ; qtot  3.910
+  1073        HA2     70      PRO    HB2   1073     0.090000     1.0080   ; qtot  4.000
+  1074        CP2     70      PRO     CG   1074    -0.180000    12.0110   ; qtot  3.820
+  1075        HA2     70      PRO    HG1   1075     0.090000     1.0080   ; qtot  3.910
+  1076        HA2     70      PRO    HG2   1076     0.090000     1.0080   ; qtot  4.000
+  1077          C     70      PRO      C   1077     0.510000    12.0110   ; qtot  4.510
+  1078          O     70      PRO      O   1078    -0.510000    15.9994   ; qtot  4.000
+  1079        NH1     71      GLY      N   1079    -0.470000    14.0070   ; qtot  3.530
+  1080          H     71      GLY     HN   1080     0.310000     1.0080   ; qtot  3.840
+  1081        CT2     71      GLY     CA   1081    -0.020000    12.0110   ; qtot  3.820
+  1082        HB2     71      GLY    HA1   1082     0.090000     1.0080   ; qtot  3.910
+  1083        HB2     71      GLY    HA2   1083     0.090000     1.0080   ; qtot  4.000
+  1084          C     71      GLY      C   1084     0.510000    12.0110   ; qtot  4.510
+  1085          O     71      GLY      O   1085    -0.510000    15.9994   ; qtot  4.000
+  1086        NH1     72      SER      N   1086    -0.470000    14.0070   ; qtot  3.530
+  1087          H     72      SER     HN   1087     0.310000     1.0080   ; qtot  3.840
+  1088        CT1     72      SER     CA   1088     0.070000    12.0110   ; qtot  3.910
+  1089        HB1     72      SER     HA   1089     0.090000     1.0080   ; qtot  4.000
+  1090        CT2     72      SER     CB   1090     0.050000    12.0110   ; qtot  4.050
+  1091        HA2     72      SER    HB1   1091     0.090000     1.0080   ; qtot  4.140
+  1092        HA2     72      SER    HB2   1092     0.090000     1.0080   ; qtot  4.230
+  1093        OH1     72      SER     OG   1093    -0.660000    15.9994   ; qtot  3.570
+  1094          H     72      SER    HG1   1094     0.430000     1.0080   ; qtot  4.000
+  1095          C     72      SER      C   1095     0.510000    12.0110   ; qtot  4.510
+  1096          O     72      SER      O   1096    -0.510000    15.9994   ; qtot  4.000
+  1097        NH1     73      ARG      N   1097    -0.470000    14.0070   ; qtot  3.530
+  1098          H     73      ARG     HN   1098     0.310000     1.0080   ; qtot  3.840
+  1099        CT1     73      ARG     CA   1099     0.070000    12.0110   ; qtot  3.910
+  1100        HB1     73      ARG     HA   1100     0.090000     1.0080   ; qtot  4.000
+  1101        CT2     73      ARG     CB   1101    -0.180000    12.0110   ; qtot  3.820
+  1102        HA2     73      ARG    HB1   1102     0.090000     1.0080   ; qtot  3.910
+  1103        HA2     73      ARG    HB2   1103     0.090000     1.0080   ; qtot  4.000
+  1104        CT2     73      ARG     CG   1104    -0.180000    12.0110   ; qtot  3.820
+  1105        HA2     73      ARG    HG1   1105     0.090000     1.0080   ; qtot  3.910
+  1106        HA2     73      ARG    HG2   1106     0.090000     1.0080   ; qtot  4.000
+  1107        CT2     73      ARG     CD   1107     0.200000    12.0110   ; qtot  4.200
+  1108        HA2     73      ARG    HD1   1108     0.090000     1.0080   ; qtot  4.290
+  1109        HA2     73      ARG    HD2   1109     0.090000     1.0080   ; qtot  4.380
+  1110        NC2     73      ARG     NE   1110    -0.700000    14.0070   ; qtot  3.680
+  1111         HC     73      ARG     HE   1111     0.440000     1.0080   ; qtot  4.120
+  1112          C     73      ARG     CZ   1112     0.640000    12.0110   ; qtot  4.760
+  1113        NC2     73      ARG    NH1   1113    -0.800000    14.0070   ; qtot  3.960
+  1114         HC     73      ARG   HH11   1114     0.460000     1.0080   ; qtot  4.420
+  1115         HC     73      ARG   HH12   1115     0.460000     1.0080   ; qtot  4.880
+  1116        NC2     73      ARG    NH2   1116    -0.800000    14.0070   ; qtot  4.080
+  1117         HC     73      ARG   HH21   1117     0.460000     1.0080   ; qtot  4.540
+  1118         HC     73      ARG   HH22   1118     0.460000     1.0080   ; qtot  5.000
+  1119          C     73      ARG      C   1119     0.510000    12.0110   ; qtot  5.510
+  1120          O     73      ARG      O   1120    -0.510000    15.9994   ; qtot  5.000
+  1121        NH1     74      ASN      N   1121    -0.470000    14.0070   ; qtot  4.530
+  1122          H     74      ASN     HN   1122     0.310000     1.0080   ; qtot  4.840
+  1123        CT1     74      ASN     CA   1123     0.070000    12.0110   ; qtot  4.910
+  1124        HB1     74      ASN     HA   1124     0.090000     1.0080   ; qtot  5.000
+  1125        CT2     74      ASN     CB   1125    -0.180000    12.0110   ; qtot  4.820
+  1126        HA2     74      ASN    HB1   1126     0.090000     1.0080   ; qtot  4.910
+  1127        HA2     74      ASN    HB2   1127     0.090000     1.0080   ; qtot  5.000
+  1128         CC     74      ASN     CG   1128     0.550000    12.0110   ; qtot  5.550
+  1129          O     74      ASN    OD1   1129    -0.550000    15.9994   ; qtot  5.000
+  1130        NH2     74      ASN    ND2   1130    -0.620000    14.0070   ; qtot  4.380
+  1131          H     74      ASN   HD21   1131     0.320000     1.0080   ; qtot  4.700
+  1132          H     74      ASN   HD22   1132     0.300000     1.0080   ; qtot  5.000
+  1133          C     74      ASN      C   1133     0.510000    12.0110   ; qtot  5.510
+  1134          O     74      ASN      O   1134    -0.510000    15.9994   ; qtot  5.000
+  1135        NH1     75      LEU      N   1135    -0.470000    14.0070   ; qtot  4.530
+  1136          H     75      LEU     HN   1136     0.310000     1.0080   ; qtot  4.840
+  1137        CT1     75      LEU     CA   1137     0.070000    12.0110   ; qtot  4.910
+  1138        HB1     75      LEU     HA   1138     0.090000     1.0080   ; qtot  5.000
+  1139        CT2     75      LEU     CB   1139    -0.180000    12.0110   ; qtot  4.820
+  1140        HA2     75      LEU    HB1   1140     0.090000     1.0080   ; qtot  4.910
+  1141        HA2     75      LEU    HB2   1141     0.090000     1.0080   ; qtot  5.000
+  1142        CT1     75      LEU     CG   1142    -0.090000    12.0110   ; qtot  4.910
+  1143        HA1     75      LEU     HG   1143     0.090000     1.0080   ; qtot  5.000
+  1144        CT3     75      LEU    CD1   1144    -0.270000    12.0110   ; qtot  4.730
+  1145        HA3     75      LEU   HD11   1145     0.090000     1.0080   ; qtot  4.820
+  1146        HA3     75      LEU   HD12   1146     0.090000     1.0080   ; qtot  4.910
+  1147        HA3     75      LEU   HD13   1147     0.090000     1.0080   ; qtot  5.000
+  1148        CT3     75      LEU    CD2   1148    -0.270000    12.0110   ; qtot  4.730
+  1149        HA3     75      LEU   HD21   1149     0.090000     1.0080   ; qtot  4.820
+  1150        HA3     75      LEU   HD22   1150     0.090000     1.0080   ; qtot  4.910
+  1151        HA3     75      LEU   HD23   1151     0.090000     1.0080   ; qtot  5.000
+  1152          C     75      LEU      C   1152     0.510000    12.0110   ; qtot  5.510
+  1153          O     75      LEU      O   1153    -0.510000    15.9994   ; qtot  5.000
+  1154        NH1     76      CYS      N   1154    -0.470000    14.0070   ; qtot  4.530
+  1155          H     76      CYS     HN   1155     0.310000     1.0080   ; qtot  4.840
+  1156        CT1     76      CYS     CA   1156     0.070000    12.0110   ; qtot  4.910
+  1157        HB1     76      CYS     HA   1157     0.090000     1.0080   ; qtot  5.000
+  1158        CT2     76      CYS     CB   1158    -0.100000    12.0110   ; qtot  4.900
+  1159        HA2     76      CYS    HB1   1159     0.090000     1.0080   ; qtot  4.990
+  1160        HA2     76      CYS    HB2   1160     0.090000     1.0080   ; qtot  5.080
+  1161         SM     76      CYS     SG   1161    -0.080000    32.0600   ; qtot  5.000
+  1162          C     76      CYS      C   1162     0.510000    12.0110   ; qtot  5.510
+  1163          O     76      CYS      O   1163    -0.510000    15.9994   ; qtot  5.000
+  1164        NH1     77      ASN      N   1164    -0.470000    14.0070   ; qtot  4.530
+  1165          H     77      ASN     HN   1165     0.310000     1.0080   ; qtot  4.840
+  1166        CT1     77      ASN     CA   1166     0.070000    12.0110   ; qtot  4.910
+  1167        HB1     77      ASN     HA   1167     0.090000     1.0080   ; qtot  5.000
+  1168        CT2     77      ASN     CB   1168    -0.180000    12.0110   ; qtot  4.820
+  1169        HA2     77      ASN    HB1   1169     0.090000     1.0080   ; qtot  4.910
+  1170        HA2     77      ASN    HB2   1170     0.090000     1.0080   ; qtot  5.000
+  1171         CC     77      ASN     CG   1171     0.550000    12.0110   ; qtot  5.550
+  1172          O     77      ASN    OD1   1172    -0.550000    15.9994   ; qtot  5.000
+  1173        NH2     77      ASN    ND2   1173    -0.620000    14.0070   ; qtot  4.380
+  1174          H     77      ASN   HD21   1174     0.320000     1.0080   ; qtot  4.700
+  1175          H     77      ASN   HD22   1175     0.300000     1.0080   ; qtot  5.000
+  1176          C     77      ASN      C   1176     0.510000    12.0110   ; qtot  5.510
+  1177          O     77      ASN      O   1177    -0.510000    15.9994   ; qtot  5.000
+  1178        NH1     78      ILE      N   1178    -0.470000    14.0070   ; qtot  4.530
+  1179          H     78      ILE     HN   1179     0.310000     1.0080   ; qtot  4.840
+  1180        CT1     78      ILE     CA   1180     0.070000    12.0110   ; qtot  4.910
+  1181        HB1     78      ILE     HA   1181     0.090000     1.0080   ; qtot  5.000
+  1182        CT1     78      ILE     CB   1182    -0.090000    12.0110   ; qtot  4.910
+  1183        HA1     78      ILE     HB   1183     0.090000     1.0080   ; qtot  5.000
+  1184        CT3     78      ILE    CG2   1184    -0.270000    12.0110   ; qtot  4.730
+  1185        HA3     78      ILE   HG21   1185     0.090000     1.0080   ; qtot  4.820
+  1186        HA3     78      ILE   HG22   1186     0.090000     1.0080   ; qtot  4.910
+  1187        HA3     78      ILE   HG23   1187     0.090000     1.0080   ; qtot  5.000
+  1188        CT2     78      ILE    CG1   1188    -0.180000    12.0110   ; qtot  4.820
+  1189        HA2     78      ILE   HG11   1189     0.090000     1.0080   ; qtot  4.910
+  1190        HA2     78      ILE   HG12   1190     0.090000     1.0080   ; qtot  5.000
+  1191        CT3     78      ILE     CD   1191    -0.270000    12.0110   ; qtot  4.730
+  1192        HA3     78      ILE    HD1   1192     0.090000     1.0080   ; qtot  4.820
+  1193        HA3     78      ILE    HD2   1193     0.090000     1.0080   ; qtot  4.910
+  1194        HA3     78      ILE    HD3   1194     0.090000     1.0080   ; qtot  5.000
+  1195          C     78      ILE      C   1195     0.510000    12.0110   ; qtot  5.510
+  1196          O     78      ILE      O   1196    -0.510000    15.9994   ; qtot  5.000
+  1197          N     79      PRO      N   1197    -0.290000    14.0070   ; qtot  4.710
+  1198        CP3     79      PRO     CD   1198     0.000000    12.0110   ; qtot  4.710
+  1199        HA2     79      PRO    HD1   1199     0.090000     1.0080   ; qtot  4.800
+  1200        HA2     79      PRO    HD2   1200     0.090000     1.0080   ; qtot  4.890
+  1201        CP1     79      PRO     CA   1201     0.020000    12.0110   ; qtot  4.910
+  1202        HB1     79      PRO     HA   1202     0.090000     1.0080   ; qtot  5.000
+  1203        CP2     79      PRO     CB   1203    -0.180000    12.0110   ; qtot  4.820
+  1204        HA2     79      PRO    HB1   1204     0.090000     1.0080   ; qtot  4.910
+  1205        HA2     79      PRO    HB2   1205     0.090000     1.0080   ; qtot  5.000
+  1206        CP2     79      PRO     CG   1206    -0.180000    12.0110   ; qtot  4.820
+  1207        HA2     79      PRO    HG1   1207     0.090000     1.0080   ; qtot  4.910
+  1208        HA2     79      PRO    HG2   1208     0.090000     1.0080   ; qtot  5.000
+  1209          C     79      PRO      C   1209     0.510000    12.0110   ; qtot  5.510
+  1210          O     79      PRO      O   1210    -0.510000    15.9994   ; qtot  5.000
+  1211        NH1     80      CYS      N   1211    -0.470000    14.0070   ; qtot  4.530
+  1212          H     80      CYS     HN   1212     0.310000     1.0080   ; qtot  4.840
+  1213        CT1     80      CYS     CA   1213     0.070000    12.0110   ; qtot  4.910
+  1214        HB1     80      CYS     HA   1214     0.090000     1.0080   ; qtot  5.000
+  1215        CT2     80      CYS     CB   1215    -0.100000    12.0110   ; qtot  4.900
+  1216        HA2     80      CYS    HB1   1216     0.090000     1.0080   ; qtot  4.990
+  1217        HA2     80      CYS    HB2   1217     0.090000     1.0080   ; qtot  5.080
+  1218         SM     80      CYS     SG   1218    -0.080000    32.0600   ; qtot  5.000
+  1219          C     80      CYS      C   1219     0.510000    12.0110   ; qtot  5.510
+  1220          O     80      CYS      O   1220    -0.510000    15.9994   ; qtot  5.000
+  1221        NH1     81      SER      N   1221    -0.470000    14.0070   ; qtot  4.530
+  1222          H     81      SER     HN   1222     0.310000     1.0080   ; qtot  4.840
+  1223        CT1     81      SER     CA   1223     0.070000    12.0110   ; qtot  4.910
+  1224        HB1     81      SER     HA   1224     0.090000     1.0080   ; qtot  5.000
+  1225        CT2     81      SER     CB   1225     0.050000    12.0110   ; qtot  5.050
+  1226        HA2     81      SER    HB1   1226     0.090000     1.0080   ; qtot  5.140
+  1227        HA2     81      SER    HB2   1227     0.090000     1.0080   ; qtot  5.230
+  1228        OH1     81      SER     OG   1228    -0.660000    15.9994   ; qtot  4.570
+  1229          H     81      SER    HG1   1229     0.430000     1.0080   ; qtot  5.000
+  1230          C     81      SER      C   1230     0.510000    12.0110   ; qtot  5.510
+  1231          O     81      SER      O   1231    -0.510000    15.9994   ; qtot  5.000
+  1232        NH1     82      ALA      N   1232    -0.470000    14.0070   ; qtot  4.530
+  1233          H     82      ALA     HN   1233     0.310000     1.0080   ; qtot  4.840
+  1234        CT1     82      ALA     CA   1234     0.070000    12.0110   ; qtot  4.910
+  1235        HB1     82      ALA     HA   1235     0.090000     1.0080   ; qtot  5.000
+  1236        CT3     82      ALA     CB   1236    -0.270000    12.0110   ; qtot  4.730
+  1237        HA3     82      ALA    HB1   1237     0.090000     1.0080   ; qtot  4.820
+  1238        HA3     82      ALA    HB2   1238     0.090000     1.0080   ; qtot  4.910
+  1239        HA3     82      ALA    HB3   1239     0.090000     1.0080   ; qtot  5.000
+  1240          C     82      ALA      C   1240     0.510000    12.0110   ; qtot  5.510
+  1241          O     82      ALA      O   1241    -0.510000    15.9994   ; qtot  5.000
+  1242        NH1     83      LEU      N   1242    -0.470000    14.0070   ; qtot  4.530
+  1243          H     83      LEU     HN   1243     0.310000     1.0080   ; qtot  4.840
+  1244        CT1     83      LEU     CA   1244     0.070000    12.0110   ; qtot  4.910
+  1245        HB1     83      LEU     HA   1245     0.090000     1.0080   ; qtot  5.000
+  1246        CT2     83      LEU     CB   1246    -0.180000    12.0110   ; qtot  4.820
+  1247        HA2     83      LEU    HB1   1247     0.090000     1.0080   ; qtot  4.910
+  1248        HA2     83      LEU    HB2   1248     0.090000     1.0080   ; qtot  5.000
+  1249        CT1     83      LEU     CG   1249    -0.090000    12.0110   ; qtot  4.910
+  1250        HA1     83      LEU     HG   1250     0.090000     1.0080   ; qtot  5.000
+  1251        CT3     83      LEU    CD1   1251    -0.270000    12.0110   ; qtot  4.730
+  1252        HA3     83      LEU   HD11   1252     0.090000     1.0080   ; qtot  4.820
+  1253        HA3     83      LEU   HD12   1253     0.090000     1.0080   ; qtot  4.910
+  1254        HA3     83      LEU   HD13   1254     0.090000     1.0080   ; qtot  5.000
+  1255        CT3     83      LEU    CD2   1255    -0.270000    12.0110   ; qtot  4.730
+  1256        HA3     83      LEU   HD21   1256     0.090000     1.0080   ; qtot  4.820
+  1257        HA3     83      LEU   HD22   1257     0.090000     1.0080   ; qtot  4.910
+  1258        HA3     83      LEU   HD23   1258     0.090000     1.0080   ; qtot  5.000
+  1259          C     83      LEU      C   1259     0.510000    12.0110   ; qtot  5.510
+  1260          O     83      LEU      O   1260    -0.510000    15.9994   ; qtot  5.000
+  1261        NH1     84      LEU      N   1261    -0.470000    14.0070   ; qtot  4.530
+  1262          H     84      LEU     HN   1262     0.310000     1.0080   ; qtot  4.840
+  1263        CT1     84      LEU     CA   1263     0.070000    12.0110   ; qtot  4.910
+  1264        HB1     84      LEU     HA   1264     0.090000     1.0080   ; qtot  5.000
+  1265        CT2     84      LEU     CB   1265    -0.180000    12.0110   ; qtot  4.820
+  1266        HA2     84      LEU    HB1   1266     0.090000     1.0080   ; qtot  4.910
+  1267        HA2     84      LEU    HB2   1267     0.090000     1.0080   ; qtot  5.000
+  1268        CT1     84      LEU     CG   1268    -0.090000    12.0110   ; qtot  4.910
+  1269        HA1     84      LEU     HG   1269     0.090000     1.0080   ; qtot  5.000
+  1270        CT3     84      LEU    CD1   1270    -0.270000    12.0110   ; qtot  4.730
+  1271        HA3     84      LEU   HD11   1271     0.090000     1.0080   ; qtot  4.820
+  1272        HA3     84      LEU   HD12   1272     0.090000     1.0080   ; qtot  4.910
+  1273        HA3     84      LEU   HD13   1273     0.090000     1.0080   ; qtot  5.000
+  1274        CT3     84      LEU    CD2   1274    -0.270000    12.0110   ; qtot  4.730
+  1275        HA3     84      LEU   HD21   1275     0.090000     1.0080   ; qtot  4.820
+  1276        HA3     84      LEU   HD22   1276     0.090000     1.0080   ; qtot  4.910
+  1277        HA3     84      LEU   HD23   1277     0.090000     1.0080   ; qtot  5.000
+  1278          C     84      LEU      C   1278     0.510000    12.0110   ; qtot  5.510
+  1279          O     84      LEU      O   1279    -0.510000    15.9994   ; qtot  5.000
+  1280        NH1     85      SER      N   1280    -0.470000    14.0070   ; qtot  4.530
+  1281          H     85      SER     HN   1281     0.310000     1.0080   ; qtot  4.840
+  1282        CT1     85      SER     CA   1282     0.070000    12.0110   ; qtot  4.910
+  1283        HB1     85      SER     HA   1283     0.090000     1.0080   ; qtot  5.000
+  1284        CT2     85      SER     CB   1284     0.050000    12.0110   ; qtot  5.050
+  1285        HA2     85      SER    HB1   1285     0.090000     1.0080   ; qtot  5.140
+  1286        HA2     85      SER    HB2   1286     0.090000     1.0080   ; qtot  5.230
+  1287        OH1     85      SER     OG   1287    -0.660000    15.9994   ; qtot  4.570
+  1288          H     85      SER    HG1   1288     0.430000     1.0080   ; qtot  5.000
+  1289          C     85      SER      C   1289     0.510000    12.0110   ; qtot  5.510
+  1290          O     85      SER      O   1290    -0.510000    15.9994   ; qtot  5.000
+  1291        NH1     86      SER      N   1291    -0.470000    14.0070   ; qtot  4.530
+  1292          H     86      SER     HN   1292     0.310000     1.0080   ; qtot  4.840
+  1293        CT1     86      SER     CA   1293     0.070000    12.0110   ; qtot  4.910
+  1294        HB1     86      SER     HA   1294     0.090000     1.0080   ; qtot  5.000
+  1295        CT2     86      SER     CB   1295     0.050000    12.0110   ; qtot  5.050
+  1296        HA2     86      SER    HB1   1296     0.090000     1.0080   ; qtot  5.140
+  1297        HA2     86      SER    HB2   1297     0.090000     1.0080   ; qtot  5.230
+  1298        OH1     86      SER     OG   1298    -0.660000    15.9994   ; qtot  4.570
+  1299          H     86      SER    HG1   1299     0.430000     1.0080   ; qtot  5.000
+  1300          C     86      SER      C   1300     0.510000    12.0110   ; qtot  5.510
+  1301          O     86      SER      O   1301    -0.510000    15.9994   ; qtot  5.000
+  1302        NH1     87      ASP      N   1302    -0.470000    14.0070   ; qtot  4.530
+  1303          H     87      ASP     HN   1303     0.310000     1.0080   ; qtot  4.840
+  1304        CT1     87      ASP     CA   1304     0.070000    12.0110   ; qtot  4.910
+  1305        HB1     87      ASP     HA   1305     0.090000     1.0080   ; qtot  5.000
+  1306       CT2A     87      ASP     CB   1306    -0.280000    12.0110   ; qtot  4.720
+  1307        HA2     87      ASP    HB1   1307     0.090000     1.0080   ; qtot  4.810
+  1308        HA2     87      ASP    HB2   1308     0.090000     1.0080   ; qtot  4.900
+  1309         CC     87      ASP     CG   1309     0.620000    12.0110   ; qtot  5.520
+  1310         OC     87      ASP    OD1   1310    -0.760000    15.9994   ; qtot  4.760
+  1311         OC     87      ASP    OD2   1311    -0.760000    15.9994   ; qtot  4.000
+  1312          C     87      ASP      C   1312     0.510000    12.0110   ; qtot  4.510
+  1313          O     87      ASP      O   1313    -0.510000    15.9994   ; qtot  4.000
+  1314        NH1     88      ILE      N   1314    -0.470000    14.0070   ; qtot  3.530
+  1315          H     88      ILE     HN   1315     0.310000     1.0080   ; qtot  3.840
+  1316        CT1     88      ILE     CA   1316     0.070000    12.0110   ; qtot  3.910
+  1317        HB1     88      ILE     HA   1317     0.090000     1.0080   ; qtot  4.000
+  1318        CT1     88      ILE     CB   1318    -0.090000    12.0110   ; qtot  3.910
+  1319        HA1     88      ILE     HB   1319     0.090000     1.0080   ; qtot  4.000
+  1320        CT3     88      ILE    CG2   1320    -0.270000    12.0110   ; qtot  3.730
+  1321        HA3     88      ILE   HG21   1321     0.090000     1.0080   ; qtot  3.820
+  1322        HA3     88      ILE   HG22   1322     0.090000     1.0080   ; qtot  3.910
+  1323        HA3     88      ILE   HG23   1323     0.090000     1.0080   ; qtot  4.000
+  1324        CT2     88      ILE    CG1   1324    -0.180000    12.0110   ; qtot  3.820
+  1325        HA2     88      ILE   HG11   1325     0.090000     1.0080   ; qtot  3.910
+  1326        HA2     88      ILE   HG12   1326     0.090000     1.0080   ; qtot  4.000
+  1327        CT3     88      ILE     CD   1327    -0.270000    12.0110   ; qtot  3.730
+  1328        HA3     88      ILE    HD1   1328     0.090000     1.0080   ; qtot  3.820
+  1329        HA3     88      ILE    HD2   1329     0.090000     1.0080   ; qtot  3.910
+  1330        HA3     88      ILE    HD3   1330     0.090000     1.0080   ; qtot  4.000
+  1331          C     88      ILE      C   1331     0.510000    12.0110   ; qtot  4.510
+  1332          O     88      ILE      O   1332    -0.510000    15.9994   ; qtot  4.000
+  1333        NH1     89      THR      N   1333    -0.470000    14.0070   ; qtot  3.530
+  1334          H     89      THR     HN   1334     0.310000     1.0080   ; qtot  3.840
+  1335        CT1     89      THR     CA   1335     0.070000    12.0110   ; qtot  3.910
+  1336        HB1     89      THR     HA   1336     0.090000     1.0080   ; qtot  4.000
+  1337        CT1     89      THR     CB   1337     0.140000    12.0110   ; qtot  4.140
+  1338        HA1     89      THR     HB   1338     0.090000     1.0080   ; qtot  4.230
+  1339        OH1     89      THR    OG1   1339    -0.660000    15.9994   ; qtot  3.570
+  1340          H     89      THR    HG1   1340     0.430000     1.0080   ; qtot  4.000
+  1341        CT3     89      THR    CG2   1341    -0.270000    12.0110   ; qtot  3.730
+  1342        HA3     89      THR   HG21   1342     0.090000     1.0080   ; qtot  3.820
+  1343        HA3     89      THR   HG22   1343     0.090000     1.0080   ; qtot  3.910
+  1344        HA3     89      THR   HG23   1344     0.090000     1.0080   ; qtot  4.000
+  1345          C     89      THR      C   1345     0.510000    12.0110   ; qtot  4.510
+  1346          O     89      THR      O   1346    -0.510000    15.9994   ; qtot  4.000
+  1347        NH1     90      ALA      N   1347    -0.470000    14.0070   ; qtot  3.530
+  1348          H     90      ALA     HN   1348     0.310000     1.0080   ; qtot  3.840
+  1349        CT1     90      ALA     CA   1349     0.070000    12.0110   ; qtot  3.910
+  1350        HB1     90      ALA     HA   1350     0.090000     1.0080   ; qtot  4.000
+  1351        CT3     90      ALA     CB   1351    -0.270000    12.0110   ; qtot  3.730
+  1352        HA3     90      ALA    HB1   1352     0.090000     1.0080   ; qtot  3.820
+  1353        HA3     90      ALA    HB2   1353     0.090000     1.0080   ; qtot  3.910
+  1354        HA3     90      ALA    HB3   1354     0.090000     1.0080   ; qtot  4.000
+  1355          C     90      ALA      C   1355     0.510000    12.0110   ; qtot  4.510
+  1356          O     90      ALA      O   1356    -0.510000    15.9994   ; qtot  4.000
+  1357        NH1     91      SER      N   1357    -0.470000    14.0070   ; qtot  3.530
+  1358          H     91      SER     HN   1358     0.310000     1.0080   ; qtot  3.840
+  1359        CT1     91      SER     CA   1359     0.070000    12.0110   ; qtot  3.910
+  1360        HB1     91      SER     HA   1360     0.090000     1.0080   ; qtot  4.000
+  1361        CT2     91      SER     CB   1361     0.050000    12.0110   ; qtot  4.050
+  1362        HA2     91      SER    HB1   1362     0.090000     1.0080   ; qtot  4.140
+  1363        HA2     91      SER    HB2   1363     0.090000     1.0080   ; qtot  4.230
+  1364        OH1     91      SER     OG   1364    -0.660000    15.9994   ; qtot  3.570
+  1365          H     91      SER    HG1   1365     0.430000     1.0080   ; qtot  4.000
+  1366          C     91      SER      C   1366     0.510000    12.0110   ; qtot  4.510
+  1367          O     91      SER      O   1367    -0.510000    15.9994   ; qtot  4.000
+  1368        NH1     92      VAL      N   1368    -0.470000    14.0070   ; qtot  3.530
+  1369          H     92      VAL     HN   1369     0.310000     1.0080   ; qtot  3.840
+  1370        CT1     92      VAL     CA   1370     0.070000    12.0110   ; qtot  3.910
+  1371        HB1     92      VAL     HA   1371     0.090000     1.0080   ; qtot  4.000
+  1372        CT1     92      VAL     CB   1372    -0.090000    12.0110   ; qtot  3.910
+  1373        HA1     92      VAL     HB   1373     0.090000     1.0080   ; qtot  4.000
+  1374        CT3     92      VAL    CG1   1374    -0.270000    12.0110   ; qtot  3.730
+  1375        HA3     92      VAL   HG11   1375     0.090000     1.0080   ; qtot  3.820
+  1376        HA3     92      VAL   HG12   1376     0.090000     1.0080   ; qtot  3.910
+  1377        HA3     92      VAL   HG13   1377     0.090000     1.0080   ; qtot  4.000
+  1378        CT3     92      VAL    CG2   1378    -0.270000    12.0110   ; qtot  3.730
+  1379        HA3     92      VAL   HG21   1379     0.090000     1.0080   ; qtot  3.820
+  1380        HA3     92      VAL   HG22   1380     0.090000     1.0080   ; qtot  3.910
+  1381        HA3     92      VAL   HG23   1381     0.090000     1.0080   ; qtot  4.000
+  1382          C     92      VAL      C   1382     0.510000    12.0110   ; qtot  4.510
+  1383          O     92      VAL      O   1383    -0.510000    15.9994   ; qtot  4.000
+  1384        NH1     93      ASN      N   1384    -0.470000    14.0070   ; qtot  3.530
+  1385          H     93      ASN     HN   1385     0.310000     1.0080   ; qtot  3.840
+  1386        CT1     93      ASN     CA   1386     0.070000    12.0110   ; qtot  3.910
+  1387        HB1     93      ASN     HA   1387     0.090000     1.0080   ; qtot  4.000
+  1388        CT2     93      ASN     CB   1388    -0.180000    12.0110   ; qtot  3.820
+  1389        HA2     93      ASN    HB1   1389     0.090000     1.0080   ; qtot  3.910
+  1390        HA2     93      ASN    HB2   1390     0.090000     1.0080   ; qtot  4.000
+  1391         CC     93      ASN     CG   1391     0.550000    12.0110   ; qtot  4.550
+  1392          O     93      ASN    OD1   1392    -0.550000    15.9994   ; qtot  4.000
+  1393        NH2     93      ASN    ND2   1393    -0.620000    14.0070   ; qtot  3.380
+  1394          H     93      ASN   HD21   1394     0.320000     1.0080   ; qtot  3.700
+  1395          H     93      ASN   HD22   1395     0.300000     1.0080   ; qtot  4.000
+  1396          C     93      ASN      C   1396     0.510000    12.0110   ; qtot  4.510
+  1397          O     93      ASN      O   1397    -0.510000    15.9994   ; qtot  4.000
+  1398        NH1     94      CYS      N   1398    -0.470000    14.0070   ; qtot  3.530
+  1399          H     94      CYS     HN   1399     0.310000     1.0080   ; qtot  3.840
+  1400        CT1     94      CYS     CA   1400     0.070000    12.0110   ; qtot  3.910
+  1401        HB1     94      CYS     HA   1401     0.090000     1.0080   ; qtot  4.000
+  1402        CT2     94      CYS     CB   1402    -0.100000    12.0110   ; qtot  3.900
+  1403        HA2     94      CYS    HB1   1403     0.090000     1.0080   ; qtot  3.990
+  1404        HA2     94      CYS    HB2   1404     0.090000     1.0080   ; qtot  4.080
+  1405         SM     94      CYS     SG   1405    -0.080000    32.0600   ; qtot  4.000
+  1406          C     94      CYS      C   1406     0.510000    12.0110   ; qtot  4.510
+  1407          O     94      CYS      O   1407    -0.510000    15.9994   ; qtot  4.000
+  1408        NH1     95      ALA      N   1408    -0.470000    14.0070   ; qtot  3.530
+  1409          H     95      ALA     HN   1409     0.310000     1.0080   ; qtot  3.840
+  1410        CT1     95      ALA     CA   1410     0.070000    12.0110   ; qtot  3.910
+  1411        HB1     95      ALA     HA   1411     0.090000     1.0080   ; qtot  4.000
+  1412        CT3     95      ALA     CB   1412    -0.270000    12.0110   ; qtot  3.730
+  1413        HA3     95      ALA    HB1   1413     0.090000     1.0080   ; qtot  3.820
+  1414        HA3     95      ALA    HB2   1414     0.090000     1.0080   ; qtot  3.910
+  1415        HA3     95      ALA    HB3   1415     0.090000     1.0080   ; qtot  4.000
+  1416          C     95      ALA      C   1416     0.510000    12.0110   ; qtot  4.510
+  1417          O     95      ALA      O   1417    -0.510000    15.9994   ; qtot  4.000
+  1418        NH1     96      LYS      N   1418    -0.470000    14.0070   ; qtot  3.530
+  1419          H     96      LYS     HN   1419     0.310000     1.0080   ; qtot  3.840
+  1420        CT1     96      LYS     CA   1420     0.070000    12.0110   ; qtot  3.910
+  1421        HB1     96      LYS     HA   1421     0.090000     1.0080   ; qtot  4.000
+  1422        CT2     96      LYS     CB   1422    -0.180000    12.0110   ; qtot  3.820
+  1423        HA2     96      LYS    HB1   1423     0.090000     1.0080   ; qtot  3.910
+  1424        HA2     96      LYS    HB2   1424     0.090000     1.0080   ; qtot  4.000
+  1425        CT2     96      LYS     CG   1425    -0.180000    12.0110   ; qtot  3.820
+  1426        HA2     96      LYS    HG1   1426     0.090000     1.0080   ; qtot  3.910
+  1427        HA2     96      LYS    HG2   1427     0.090000     1.0080   ; qtot  4.000
+  1428        CT2     96      LYS     CD   1428    -0.180000    12.0110   ; qtot  3.820
+  1429        HA2     96      LYS    HD1   1429     0.090000     1.0080   ; qtot  3.910
+  1430        HA2     96      LYS    HD2   1430     0.090000     1.0080   ; qtot  4.000
+  1431        CT2     96      LYS     CE   1431     0.210000    12.0110   ; qtot  4.210
+  1432        HA2     96      LYS    HE1   1432     0.050000     1.0080   ; qtot  4.260
+  1433        HA2     96      LYS    HE2   1433     0.050000     1.0080   ; qtot  4.310
+  1434        NH3     96      LYS     NZ   1434    -0.300000    14.0070   ; qtot  4.010
+  1435         HC     96      LYS    HZ1   1435     0.330000     1.0080   ; qtot  4.340
+  1436         HC     96      LYS    HZ2   1436     0.330000     1.0080   ; qtot  4.670
+  1437         HC     96      LYS    HZ3   1437     0.330000     1.0080   ; qtot  5.000
+  1438          C     96      LYS      C   1438     0.510000    12.0110   ; qtot  5.510
+  1439          O     96      LYS      O   1439    -0.510000    15.9994   ; qtot  5.000
+  1440        NH1     97      LYS      N   1440    -0.470000    14.0070   ; qtot  4.530
+  1441          H     97      LYS     HN   1441     0.310000     1.0080   ; qtot  4.840
+  1442        CT1     97      LYS     CA   1442     0.070000    12.0110   ; qtot  4.910
+  1443        HB1     97      LYS     HA   1443     0.090000     1.0080   ; qtot  5.000
+  1444        CT2     97      LYS     CB   1444    -0.180000    12.0110   ; qtot  4.820
+  1445        HA2     97      LYS    HB1   1445     0.090000     1.0080   ; qtot  4.910
+  1446        HA2     97      LYS    HB2   1446     0.090000     1.0080   ; qtot  5.000
+  1447        CT2     97      LYS     CG   1447    -0.180000    12.0110   ; qtot  4.820
+  1448        HA2     97      LYS    HG1   1448     0.090000     1.0080   ; qtot  4.910
+  1449        HA2     97      LYS    HG2   1449     0.090000     1.0080   ; qtot  5.000
+  1450        CT2     97      LYS     CD   1450    -0.180000    12.0110   ; qtot  4.820
+  1451        HA2     97      LYS    HD1   1451     0.090000     1.0080   ; qtot  4.910
+  1452        HA2     97      LYS    HD2   1452     0.090000     1.0080   ; qtot  5.000
+  1453        CT2     97      LYS     CE   1453     0.210000    12.0110   ; qtot  5.210
+  1454        HA2     97      LYS    HE1   1454     0.050000     1.0080   ; qtot  5.260
+  1455        HA2     97      LYS    HE2   1455     0.050000     1.0080   ; qtot  5.310
+  1456        NH3     97      LYS     NZ   1456    -0.300000    14.0070   ; qtot  5.010
+  1457         HC     97      LYS    HZ1   1457     0.330000     1.0080   ; qtot  5.340
+  1458         HC     97      LYS    HZ2   1458     0.330000     1.0080   ; qtot  5.670
+  1459         HC     97      LYS    HZ3   1459     0.330000     1.0080   ; qtot  6.000
+  1460          C     97      LYS      C   1460     0.510000    12.0110   ; qtot  6.510
+  1461          O     97      LYS      O   1461    -0.510000    15.9994   ; qtot  6.000
+  1462        NH1     98      ILE      N   1462    -0.470000    14.0070   ; qtot  5.530
+  1463          H     98      ILE     HN   1463     0.310000     1.0080   ; qtot  5.840
+  1464        CT1     98      ILE     CA   1464     0.070000    12.0110   ; qtot  5.910
+  1465        HB1     98      ILE     HA   1465     0.090000     1.0080   ; qtot  6.000
+  1466        CT1     98      ILE     CB   1466    -0.090000    12.0110   ; qtot  5.910
+  1467        HA1     98      ILE     HB   1467     0.090000     1.0080   ; qtot  6.000
+  1468        CT3     98      ILE    CG2   1468    -0.270000    12.0110   ; qtot  5.730
+  1469        HA3     98      ILE   HG21   1469     0.090000     1.0080   ; qtot  5.820
+  1470        HA3     98      ILE   HG22   1470     0.090000     1.0080   ; qtot  5.910
+  1471        HA3     98      ILE   HG23   1471     0.090000     1.0080   ; qtot  6.000
+  1472        CT2     98      ILE    CG1   1472    -0.180000    12.0110   ; qtot  5.820
+  1473        HA2     98      ILE   HG11   1473     0.090000     1.0080   ; qtot  5.910
+  1474        HA2     98      ILE   HG12   1474     0.090000     1.0080   ; qtot  6.000
+  1475        CT3     98      ILE     CD   1475    -0.270000    12.0110   ; qtot  5.730
+  1476        HA3     98      ILE    HD1   1476     0.090000     1.0080   ; qtot  5.820
+  1477        HA3     98      ILE    HD2   1477     0.090000     1.0080   ; qtot  5.910
+  1478        HA3     98      ILE    HD3   1478     0.090000     1.0080   ; qtot  6.000
+  1479          C     98      ILE      C   1479     0.510000    12.0110   ; qtot  6.510
+  1480          O     98      ILE      O   1480    -0.510000    15.9994   ; qtot  6.000
+  1481        NH1     99      VAL      N   1481    -0.470000    14.0070   ; qtot  5.530
+  1482          H     99      VAL     HN   1482     0.310000     1.0080   ; qtot  5.840
+  1483        CT1     99      VAL     CA   1483     0.070000    12.0110   ; qtot  5.910
+  1484        HB1     99      VAL     HA   1484     0.090000     1.0080   ; qtot  6.000
+  1485        CT1     99      VAL     CB   1485    -0.090000    12.0110   ; qtot  5.910
+  1486        HA1     99      VAL     HB   1486     0.090000     1.0080   ; qtot  6.000
+  1487        CT3     99      VAL    CG1   1487    -0.270000    12.0110   ; qtot  5.730
+  1488        HA3     99      VAL   HG11   1488     0.090000     1.0080   ; qtot  5.820
+  1489        HA3     99      VAL   HG12   1489     0.090000     1.0080   ; qtot  5.910
+  1490        HA3     99      VAL   HG13   1490     0.090000     1.0080   ; qtot  6.000
+  1491        CT3     99      VAL    CG2   1491    -0.270000    12.0110   ; qtot  5.730
+  1492        HA3     99      VAL   HG21   1492     0.090000     1.0080   ; qtot  5.820
+  1493        HA3     99      VAL   HG22   1493     0.090000     1.0080   ; qtot  5.910
+  1494        HA3     99      VAL   HG23   1494     0.090000     1.0080   ; qtot  6.000
+  1495          C     99      VAL      C   1495     0.510000    12.0110   ; qtot  6.510
+  1496          O     99      VAL      O   1496    -0.510000    15.9994   ; qtot  6.000
+  1497        NH1    100      SER      N   1497    -0.470000    14.0070   ; qtot  5.530
+  1498          H    100      SER     HN   1498     0.310000     1.0080   ; qtot  5.840
+  1499        CT1    100      SER     CA   1499     0.070000    12.0110   ; qtot  5.910
+  1500        HB1    100      SER     HA   1500     0.090000     1.0080   ; qtot  6.000
+  1501        CT2    100      SER     CB   1501     0.050000    12.0110   ; qtot  6.050
+  1502        HA2    100      SER    HB1   1502     0.090000     1.0080   ; qtot  6.140
+  1503        HA2    100      SER    HB2   1503     0.090000     1.0080   ; qtot  6.230
+  1504        OH1    100      SER     OG   1504    -0.660000    15.9994   ; qtot  5.570
+  1505          H    100      SER    HG1   1505     0.430000     1.0080   ; qtot  6.000
+  1506          C    100      SER      C   1506     0.510000    12.0110   ; qtot  6.510
+  1507          O    100      SER      O   1507    -0.510000    15.9994   ; qtot  6.000
+  1508        NH1    101      ASP      N   1508    -0.470000    14.0070   ; qtot  5.530
+  1509          H    101      ASP     HN   1509     0.310000     1.0080   ; qtot  5.840
+  1510        CT1    101      ASP     CA   1510     0.070000    12.0110   ; qtot  5.910
+  1511        HB1    101      ASP     HA   1511     0.090000     1.0080   ; qtot  6.000
+  1512       CT2A    101      ASP     CB   1512    -0.280000    12.0110   ; qtot  5.720
+  1513        HA2    101      ASP    HB1   1513     0.090000     1.0080   ; qtot  5.810
+  1514        HA2    101      ASP    HB2   1514     0.090000     1.0080   ; qtot  5.900
+  1515         CC    101      ASP     CG   1515     0.620000    12.0110   ; qtot  6.520
+  1516         OC    101      ASP    OD1   1516    -0.760000    15.9994   ; qtot  5.760
+  1517         OC    101      ASP    OD2   1517    -0.760000    15.9994   ; qtot  5.000
+  1518          C    101      ASP      C   1518     0.510000    12.0110   ; qtot  5.510
+  1519          O    101      ASP      O   1519    -0.510000    15.9994   ; qtot  5.000
+  1520        NH1    102      GLY      N   1520    -0.470000    14.0070   ; qtot  4.530
+  1521          H    102      GLY     HN   1521     0.310000     1.0080   ; qtot  4.840
+  1522        CT2    102      GLY     CA   1522    -0.020000    12.0110   ; qtot  4.820
+  1523        HB2    102      GLY    HA1   1523     0.090000     1.0080   ; qtot  4.910
+  1524        HB2    102      GLY    HA2   1524     0.090000     1.0080   ; qtot  5.000
+  1525          C    102      GLY      C   1525     0.510000    12.0110   ; qtot  5.510
+  1526          O    102      GLY      O   1526    -0.510000    15.9994   ; qtot  5.000
+  1527        NH1    103      ASN      N   1527    -0.470000    14.0070   ; qtot  4.530
+  1528          H    103      ASN     HN   1528     0.310000     1.0080   ; qtot  4.840
+  1529        CT1    103      ASN     CA   1529     0.070000    12.0110   ; qtot  4.910
+  1530        HB1    103      ASN     HA   1530     0.090000     1.0080   ; qtot  5.000
+  1531        CT2    103      ASN     CB   1531    -0.180000    12.0110   ; qtot  4.820
+  1532        HA2    103      ASN    HB1   1532     0.090000     1.0080   ; qtot  4.910
+  1533        HA2    103      ASN    HB2   1533     0.090000     1.0080   ; qtot  5.000
+  1534         CC    103      ASN     CG   1534     0.550000    12.0110   ; qtot  5.550
+  1535          O    103      ASN    OD1   1535    -0.550000    15.9994   ; qtot  5.000
+  1536        NH2    103      ASN    ND2   1536    -0.620000    14.0070   ; qtot  4.380
+  1537          H    103      ASN   HD21   1537     0.320000     1.0080   ; qtot  4.700
+  1538          H    103      ASN   HD22   1538     0.300000     1.0080   ; qtot  5.000
+  1539          C    103      ASN      C   1539     0.510000    12.0110   ; qtot  5.510
+  1540          O    103      ASN      O   1540    -0.510000    15.9994   ; qtot  5.000
+  1541        NH1    104      GLY      N   1541    -0.470000    14.0070   ; qtot  4.530
+  1542          H    104      GLY     HN   1542     0.310000     1.0080   ; qtot  4.840
+  1543        CT2    104      GLY     CA   1543    -0.020000    12.0110   ; qtot  4.820
+  1544        HB2    104      GLY    HA1   1544     0.090000     1.0080   ; qtot  4.910
+  1545        HB2    104      GLY    HA2   1545     0.090000     1.0080   ; qtot  5.000
+  1546          C    104      GLY      C   1546     0.510000    12.0110   ; qtot  5.510
+  1547          O    104      GLY      O   1547    -0.510000    15.9994   ; qtot  5.000
+  1548        NH1    105      MET      N   1548    -0.470000    14.0070   ; qtot  4.530
+  1549          H    105      MET     HN   1549     0.310000     1.0080   ; qtot  4.840
+  1550        CT1    105      MET     CA   1550     0.070000    12.0110   ; qtot  4.910
+  1551        HB1    105      MET     HA   1551     0.090000     1.0080   ; qtot  5.000
+  1552        CT2    105      MET     CB   1552    -0.180000    12.0110   ; qtot  4.820
+  1553        HA2    105      MET    HB1   1553     0.090000     1.0080   ; qtot  4.910
+  1554        HA2    105      MET    HB2   1554     0.090000     1.0080   ; qtot  5.000
+  1555        CT2    105      MET     CG   1555    -0.140000    12.0110   ; qtot  4.860
+  1556        HA2    105      MET    HG1   1556     0.090000     1.0080   ; qtot  4.950
+  1557        HA2    105      MET    HG2   1557     0.090000     1.0080   ; qtot  5.040
+  1558          S    105      MET     SD   1558    -0.090000    32.0600   ; qtot  4.950
+  1559        CT3    105      MET     CE   1559    -0.220000    12.0110   ; qtot  4.730
+  1560        HA3    105      MET    HE1   1560     0.090000     1.0080   ; qtot  4.820
+  1561        HA3    105      MET    HE2   1561     0.090000     1.0080   ; qtot  4.910
+  1562        HA3    105      MET    HE3   1562     0.090000     1.0080   ; qtot  5.000
+  1563          C    105      MET      C   1563     0.510000    12.0110   ; qtot  5.510
+  1564          O    105      MET      O   1564    -0.510000    15.9994   ; qtot  5.000
+  1565        NH1    106      ASN      N   1565    -0.470000    14.0070   ; qtot  4.530
+  1566          H    106      ASN     HN   1566     0.310000     1.0080   ; qtot  4.840
+  1567        CT1    106      ASN     CA   1567     0.070000    12.0110   ; qtot  4.910
+  1568        HB1    106      ASN     HA   1568     0.090000     1.0080   ; qtot  5.000
+  1569        CT2    106      ASN     CB   1569    -0.180000    12.0110   ; qtot  4.820
+  1570        HA2    106      ASN    HB1   1570     0.090000     1.0080   ; qtot  4.910
+  1571        HA2    106      ASN    HB2   1571     0.090000     1.0080   ; qtot  5.000
+  1572         CC    106      ASN     CG   1572     0.550000    12.0110   ; qtot  5.550
+  1573          O    106      ASN    OD1   1573    -0.550000    15.9994   ; qtot  5.000
+  1574        NH2    106      ASN    ND2   1574    -0.620000    14.0070   ; qtot  4.380
+  1575          H    106      ASN   HD21   1575     0.320000     1.0080   ; qtot  4.700
+  1576          H    106      ASN   HD22   1576     0.300000     1.0080   ; qtot  5.000
+  1577          C    106      ASN      C   1577     0.510000    12.0110   ; qtot  5.510
+  1578          O    106      ASN      O   1578    -0.510000    15.9994   ; qtot  5.000
+  1579        NH1    107      ALA      N   1579    -0.470000    14.0070   ; qtot  4.530
+  1580          H    107      ALA     HN   1580     0.310000     1.0080   ; qtot  4.840
+  1581        CT1    107      ALA     CA   1581     0.070000    12.0110   ; qtot  4.910
+  1582        HB1    107      ALA     HA   1582     0.090000     1.0080   ; qtot  5.000
+  1583        CT3    107      ALA     CB   1583    -0.270000    12.0110   ; qtot  4.730
+  1584        HA3    107      ALA    HB1   1584     0.090000     1.0080   ; qtot  4.820
+  1585        HA3    107      ALA    HB2   1585     0.090000     1.0080   ; qtot  4.910
+  1586        HA3    107      ALA    HB3   1586     0.090000     1.0080   ; qtot  5.000
+  1587          C    107      ALA      C   1587     0.510000    12.0110   ; qtot  5.510
+  1588          O    107      ALA      O   1588    -0.510000    15.9994   ; qtot  5.000
+  1589        NH1    108      TRP      N   1589    -0.470000    14.0070   ; qtot  4.530
+  1590          H    108      TRP     HN   1590     0.310000     1.0080   ; qtot  4.840
+  1591        CT1    108      TRP     CA   1591     0.070000    12.0110   ; qtot  4.910
+  1592        HB1    108      TRP     HA   1592     0.090000     1.0080   ; qtot  5.000
+  1593        CT2    108      TRP     CB   1593    -0.180000    12.0110   ; qtot  4.820
+  1594        HA2    108      TRP    HB1   1594     0.090000     1.0080   ; qtot  4.910
+  1595        HA2    108      TRP    HB2   1595     0.090000     1.0080   ; qtot  5.000
+  1596         CY    108      TRP     CG   1596    -0.030000    12.0110   ; qtot  4.970
+  1597         CA    108      TRP    CD1   1597    -0.150000    12.0110   ; qtot  4.820
+  1598         HP    108      TRP    HD1   1598     0.220000     1.0080   ; qtot  5.040
+  1599         NY    108      TRP    NE1   1599    -0.510000    14.0070   ; qtot  4.530
+  1600          H    108      TRP    HE1   1600     0.370000     1.0080   ; qtot  4.900
+  1601        CPT    108      TRP    CE2   1601     0.240000    12.0110   ; qtot  5.140
+  1602        CPT    108      TRP    CD2   1602     0.110000    12.0110   ; qtot  5.250
+  1603        CAI    108      TRP    CE3   1603    -0.250000    12.0110   ; qtot  5.000
+  1604         HP    108      TRP    HE3   1604     0.170000     1.0080   ; qtot  5.170
+  1605         CA    108      TRP    CZ3   1605    -0.200000    12.0110   ; qtot  4.970
+  1606         HP    108      TRP    HZ3   1606     0.140000     1.0080   ; qtot  5.110
+  1607        CAI    108      TRP    CZ2   1607    -0.270000    12.0110   ; qtot  4.840
+  1608         HP    108      TRP    HZ2   1608     0.160000     1.0080   ; qtot  5.000
+  1609         CA    108      TRP    CH2   1609    -0.140000    12.0110   ; qtot  4.860
+  1610         HP    108      TRP    HH2   1610     0.140000     1.0080   ; qtot  5.000
+  1611          C    108      TRP      C   1611     0.510000    12.0110   ; qtot  5.510
+  1612          O    108      TRP      O   1612    -0.510000    15.9994   ; qtot  5.000
+  1613        NH1    109      VAL      N   1613    -0.470000    14.0070   ; qtot  4.530
+  1614          H    109      VAL     HN   1614     0.310000     1.0080   ; qtot  4.840
+  1615        CT1    109      VAL     CA   1615     0.070000    12.0110   ; qtot  4.910
+  1616        HB1    109      VAL     HA   1616     0.090000     1.0080   ; qtot  5.000
+  1617        CT1    109      VAL     CB   1617    -0.090000    12.0110   ; qtot  4.910
+  1618        HA1    109      VAL     HB   1618     0.090000     1.0080   ; qtot  5.000
+  1619        CT3    109      VAL    CG1   1619    -0.270000    12.0110   ; qtot  4.730
+  1620        HA3    109      VAL   HG11   1620     0.090000     1.0080   ; qtot  4.820
+  1621        HA3    109      VAL   HG12   1621     0.090000     1.0080   ; qtot  4.910
+  1622        HA3    109      VAL   HG13   1622     0.090000     1.0080   ; qtot  5.000
+  1623        CT3    109      VAL    CG2   1623    -0.270000    12.0110   ; qtot  4.730
+  1624        HA3    109      VAL   HG21   1624     0.090000     1.0080   ; qtot  4.820
+  1625        HA3    109      VAL   HG22   1625     0.090000     1.0080   ; qtot  4.910
+  1626        HA3    109      VAL   HG23   1626     0.090000     1.0080   ; qtot  5.000
+  1627          C    109      VAL      C   1627     0.510000    12.0110   ; qtot  5.510
+  1628          O    109      VAL      O   1628    -0.510000    15.9994   ; qtot  5.000
+  1629        NH1    110      ALA      N   1629    -0.470000    14.0070   ; qtot  4.530
+  1630          H    110      ALA     HN   1630     0.310000     1.0080   ; qtot  4.840
+  1631        CT1    110      ALA     CA   1631     0.070000    12.0110   ; qtot  4.910
+  1632        HB1    110      ALA     HA   1632     0.090000     1.0080   ; qtot  5.000
+  1633        CT3    110      ALA     CB   1633    -0.270000    12.0110   ; qtot  4.730
+  1634        HA3    110      ALA    HB1   1634     0.090000     1.0080   ; qtot  4.820
+  1635        HA3    110      ALA    HB2   1635     0.090000     1.0080   ; qtot  4.910
+  1636        HA3    110      ALA    HB3   1636     0.090000     1.0080   ; qtot  5.000
+  1637          C    110      ALA      C   1637     0.510000    12.0110   ; qtot  5.510
+  1638          O    110      ALA      O   1638    -0.510000    15.9994   ; qtot  5.000
+  1639        NH1    111      TRP      N   1639    -0.470000    14.0070   ; qtot  4.530
+  1640          H    111      TRP     HN   1640     0.310000     1.0080   ; qtot  4.840
+  1641        CT1    111      TRP     CA   1641     0.070000    12.0110   ; qtot  4.910
+  1642        HB1    111      TRP     HA   1642     0.090000     1.0080   ; qtot  5.000
+  1643        CT2    111      TRP     CB   1643    -0.180000    12.0110   ; qtot  4.820
+  1644        HA2    111      TRP    HB1   1644     0.090000     1.0080   ; qtot  4.910
+  1645        HA2    111      TRP    HB2   1645     0.090000     1.0080   ; qtot  5.000
+  1646         CY    111      TRP     CG   1646    -0.030000    12.0110   ; qtot  4.970
+  1647         CA    111      TRP    CD1   1647    -0.150000    12.0110   ; qtot  4.820
+  1648         HP    111      TRP    HD1   1648     0.220000     1.0080   ; qtot  5.040
+  1649         NY    111      TRP    NE1   1649    -0.510000    14.0070   ; qtot  4.530
+  1650          H    111      TRP    HE1   1650     0.370000     1.0080   ; qtot  4.900
+  1651        CPT    111      TRP    CE2   1651     0.240000    12.0110   ; qtot  5.140
+  1652        CPT    111      TRP    CD2   1652     0.110000    12.0110   ; qtot  5.250
+  1653        CAI    111      TRP    CE3   1653    -0.250000    12.0110   ; qtot  5.000
+  1654         HP    111      TRP    HE3   1654     0.170000     1.0080   ; qtot  5.170
+  1655         CA    111      TRP    CZ3   1655    -0.200000    12.0110   ; qtot  4.970
+  1656         HP    111      TRP    HZ3   1656     0.140000     1.0080   ; qtot  5.110
+  1657        CAI    111      TRP    CZ2   1657    -0.270000    12.0110   ; qtot  4.840
+  1658         HP    111      TRP    HZ2   1658     0.160000     1.0080   ; qtot  5.000
+  1659         CA    111      TRP    CH2   1659    -0.140000    12.0110   ; qtot  4.860
+  1660         HP    111      TRP    HH2   1660     0.140000     1.0080   ; qtot  5.000
+  1661          C    111      TRP      C   1661     0.510000    12.0110   ; qtot  5.510
+  1662          O    111      TRP      O   1662    -0.510000    15.9994   ; qtot  5.000
+  1663        NH1    112      ARG      N   1663    -0.470000    14.0070   ; qtot  4.530
+  1664          H    112      ARG     HN   1664     0.310000     1.0080   ; qtot  4.840
+  1665        CT1    112      ARG     CA   1665     0.070000    12.0110   ; qtot  4.910
+  1666        HB1    112      ARG     HA   1666     0.090000     1.0080   ; qtot  5.000
+  1667        CT2    112      ARG     CB   1667    -0.180000    12.0110   ; qtot  4.820
+  1668        HA2    112      ARG    HB1   1668     0.090000     1.0080   ; qtot  4.910
+  1669        HA2    112      ARG    HB2   1669     0.090000     1.0080   ; qtot  5.000
+  1670        CT2    112      ARG     CG   1670    -0.180000    12.0110   ; qtot  4.820
+  1671        HA2    112      ARG    HG1   1671     0.090000     1.0080   ; qtot  4.910
+  1672        HA2    112      ARG    HG2   1672     0.090000     1.0080   ; qtot  5.000
+  1673        CT2    112      ARG     CD   1673     0.200000    12.0110   ; qtot  5.200
+  1674        HA2    112      ARG    HD1   1674     0.090000     1.0080   ; qtot  5.290
+  1675        HA2    112      ARG    HD2   1675     0.090000     1.0080   ; qtot  5.380
+  1676        NC2    112      ARG     NE   1676    -0.700000    14.0070   ; qtot  4.680
+  1677         HC    112      ARG     HE   1677     0.440000     1.0080   ; qtot  5.120
+  1678          C    112      ARG     CZ   1678     0.640000    12.0110   ; qtot  5.760
+  1679        NC2    112      ARG    NH1   1679    -0.800000    14.0070   ; qtot  4.960
+  1680         HC    112      ARG   HH11   1680     0.460000     1.0080   ; qtot  5.420
+  1681         HC    112      ARG   HH12   1681     0.460000     1.0080   ; qtot  5.880
+  1682        NC2    112      ARG    NH2   1682    -0.800000    14.0070   ; qtot  5.080
+  1683         HC    112      ARG   HH21   1683     0.460000     1.0080   ; qtot  5.540
+  1684         HC    112      ARG   HH22   1684     0.460000     1.0080   ; qtot  6.000
+  1685          C    112      ARG      C   1685     0.510000    12.0110   ; qtot  6.510
+  1686          O    112      ARG      O   1686    -0.510000    15.9994   ; qtot  6.000
+  1687        NH1    113      ASN      N   1687    -0.470000    14.0070   ; qtot  5.530
+  1688          H    113      ASN     HN   1688     0.310000     1.0080   ; qtot  5.840
+  1689        CT1    113      ASN     CA   1689     0.070000    12.0110   ; qtot  5.910
+  1690        HB1    113      ASN     HA   1690     0.090000     1.0080   ; qtot  6.000
+  1691        CT2    113      ASN     CB   1691    -0.180000    12.0110   ; qtot  5.820
+  1692        HA2    113      ASN    HB1   1692     0.090000     1.0080   ; qtot  5.910
+  1693        HA2    113      ASN    HB2   1693     0.090000     1.0080   ; qtot  6.000
+  1694         CC    113      ASN     CG   1694     0.550000    12.0110   ; qtot  6.550
+  1695          O    113      ASN    OD1   1695    -0.550000    15.9994   ; qtot  6.000
+  1696        NH2    113      ASN    ND2   1696    -0.620000    14.0070   ; qtot  5.380
+  1697          H    113      ASN   HD21   1697     0.320000     1.0080   ; qtot  5.700
+  1698          H    113      ASN   HD22   1698     0.300000     1.0080   ; qtot  6.000
+  1699          C    113      ASN      C   1699     0.510000    12.0110   ; qtot  6.510
+  1700          O    113      ASN      O   1700    -0.510000    15.9994   ; qtot  6.000
+  1701        NH1    114      ARG      N   1701    -0.470000    14.0070   ; qtot  5.530
+  1702          H    114      ARG     HN   1702     0.310000     1.0080   ; qtot  5.840
+  1703        CT1    114      ARG     CA   1703     0.070000    12.0110   ; qtot  5.910
+  1704        HB1    114      ARG     HA   1704     0.090000     1.0080   ; qtot  6.000
+  1705        CT2    114      ARG     CB   1705    -0.180000    12.0110   ; qtot  5.820
+  1706        HA2    114      ARG    HB1   1706     0.090000     1.0080   ; qtot  5.910
+  1707        HA2    114      ARG    HB2   1707     0.090000     1.0080   ; qtot  6.000
+  1708        CT2    114      ARG     CG   1708    -0.180000    12.0110   ; qtot  5.820
+  1709        HA2    114      ARG    HG1   1709     0.090000     1.0080   ; qtot  5.910
+  1710        HA2    114      ARG    HG2   1710     0.090000     1.0080   ; qtot  6.000
+  1711        CT2    114      ARG     CD   1711     0.200000    12.0110   ; qtot  6.200
+  1712        HA2    114      ARG    HD1   1712     0.090000     1.0080   ; qtot  6.290
+  1713        HA2    114      ARG    HD2   1713     0.090000     1.0080   ; qtot  6.380
+  1714        NC2    114      ARG     NE   1714    -0.700000    14.0070   ; qtot  5.680
+  1715         HC    114      ARG     HE   1715     0.440000     1.0080   ; qtot  6.120
+  1716          C    114      ARG     CZ   1716     0.640000    12.0110   ; qtot  6.760
+  1717        NC2    114      ARG    NH1   1717    -0.800000    14.0070   ; qtot  5.960
+  1718         HC    114      ARG   HH11   1718     0.460000     1.0080   ; qtot  6.420
+  1719         HC    114      ARG   HH12   1719     0.460000     1.0080   ; qtot  6.880
+  1720        NC2    114      ARG    NH2   1720    -0.800000    14.0070   ; qtot  6.080
+  1721         HC    114      ARG   HH21   1721     0.460000     1.0080   ; qtot  6.540
+  1722         HC    114      ARG   HH22   1722     0.460000     1.0080   ; qtot  7.000
+  1723          C    114      ARG      C   1723     0.510000    12.0110   ; qtot  7.510
+  1724          O    114      ARG      O   1724    -0.510000    15.9994   ; qtot  7.000
+  1725        NH1    115      CYS      N   1725    -0.470000    14.0070   ; qtot  6.530
+  1726          H    115      CYS     HN   1726     0.310000     1.0080   ; qtot  6.840
+  1727        CT1    115      CYS     CA   1727     0.070000    12.0110   ; qtot  6.910
+  1728        HB1    115      CYS     HA   1728     0.090000     1.0080   ; qtot  7.000
+  1729        CT2    115      CYS     CB   1729    -0.100000    12.0110   ; qtot  6.900
+  1730        HA2    115      CYS    HB1   1730     0.090000     1.0080   ; qtot  6.990
+  1731        HA2    115      CYS    HB2   1731     0.090000     1.0080   ; qtot  7.080
+  1732         SM    115      CYS     SG   1732    -0.080000    32.0600   ; qtot  7.000
+  1733          C    115      CYS      C   1733     0.510000    12.0110   ; qtot  7.510
+  1734          O    115      CYS      O   1734    -0.510000    15.9994   ; qtot  7.000
+  1735        NH1    116      LYS      N   1735    -0.470000    14.0070   ; qtot  6.530
+  1736          H    116      LYS     HN   1736     0.310000     1.0080   ; qtot  6.840
+  1737        CT1    116      LYS     CA   1737     0.070000    12.0110   ; qtot  6.910
+  1738        HB1    116      LYS     HA   1738     0.090000     1.0080   ; qtot  7.000
+  1739        CT2    116      LYS     CB   1739    -0.180000    12.0110   ; qtot  6.820
+  1740        HA2    116      LYS    HB1   1740     0.090000     1.0080   ; qtot  6.910
+  1741        HA2    116      LYS    HB2   1741     0.090000     1.0080   ; qtot  7.000
+  1742        CT2    116      LYS     CG   1742    -0.180000    12.0110   ; qtot  6.820
+  1743        HA2    116      LYS    HG1   1743     0.090000     1.0080   ; qtot  6.910
+  1744        HA2    116      LYS    HG2   1744     0.090000     1.0080   ; qtot  7.000
+  1745        CT2    116      LYS     CD   1745    -0.180000    12.0110   ; qtot  6.820
+  1746        HA2    116      LYS    HD1   1746     0.090000     1.0080   ; qtot  6.910
+  1747        HA2    116      LYS    HD2   1747     0.090000     1.0080   ; qtot  7.000
+  1748        CT2    116      LYS     CE   1748     0.210000    12.0110   ; qtot  7.210
+  1749        HA2    116      LYS    HE1   1749     0.050000     1.0080   ; qtot  7.260
+  1750        HA2    116      LYS    HE2   1750     0.050000     1.0080   ; qtot  7.310
+  1751        NH3    116      LYS     NZ   1751    -0.300000    14.0070   ; qtot  7.010
+  1752         HC    116      LYS    HZ1   1752     0.330000     1.0080   ; qtot  7.340
+  1753         HC    116      LYS    HZ2   1753     0.330000     1.0080   ; qtot  7.670
+  1754         HC    116      LYS    HZ3   1754     0.330000     1.0080   ; qtot  8.000
+  1755          C    116      LYS      C   1755     0.510000    12.0110   ; qtot  8.510
+  1756          O    116      LYS      O   1756    -0.510000    15.9994   ; qtot  8.000
+  1757        NH1    117      GLY      N   1757    -0.470000    14.0070   ; qtot  7.530
+  1758          H    117      GLY     HN   1758     0.310000     1.0080   ; qtot  7.840
+  1759        CT2    117      GLY     CA   1759    -0.020000    12.0110   ; qtot  7.820
+  1760        HB2    117      GLY    HA1   1760     0.090000     1.0080   ; qtot  7.910
+  1761        HB2    117      GLY    HA2   1761     0.090000     1.0080   ; qtot  8.000
+  1762          C    117      GLY      C   1762     0.510000    12.0110   ; qtot  8.510
+  1763          O    117      GLY      O   1763    -0.510000    15.9994   ; qtot  8.000
+  1764        NH1    118      THR      N   1764    -0.470000    14.0070   ; qtot  7.530
+  1765          H    118      THR     HN   1765     0.310000     1.0080   ; qtot  7.840
+  1766        CT1    118      THR     CA   1766     0.070000    12.0110   ; qtot  7.910
+  1767        HB1    118      THR     HA   1767     0.090000     1.0080   ; qtot  8.000
+  1768        CT1    118      THR     CB   1768     0.140000    12.0110   ; qtot  8.140
+  1769        HA1    118      THR     HB   1769     0.090000     1.0080   ; qtot  8.230
+  1770        OH1    118      THR    OG1   1770    -0.660000    15.9994   ; qtot  7.570
+  1771          H    118      THR    HG1   1771     0.430000     1.0080   ; qtot  8.000
+  1772        CT3    118      THR    CG2   1772    -0.270000    12.0110   ; qtot  7.730
+  1773        HA3    118      THR   HG21   1773     0.090000     1.0080   ; qtot  7.820
+  1774        HA3    118      THR   HG22   1774     0.090000     1.0080   ; qtot  7.910
+  1775        HA3    118      THR   HG23   1775     0.090000     1.0080   ; qtot  8.000
+  1776          C    118      THR      C   1776     0.510000    12.0110   ; qtot  8.510
+  1777          O    118      THR      O   1777    -0.510000    15.9994   ; qtot  8.000
+  1778        NH1    119      ASP      N   1778    -0.470000    14.0070   ; qtot  7.530
+  1779          H    119      ASP     HN   1779     0.310000     1.0080   ; qtot  7.840
+  1780        CT1    119      ASP     CA   1780     0.070000    12.0110   ; qtot  7.910
+  1781        HB1    119      ASP     HA   1781     0.090000     1.0080   ; qtot  8.000
+  1782       CT2A    119      ASP     CB   1782    -0.280000    12.0110   ; qtot  7.720
+  1783        HA2    119      ASP    HB1   1783     0.090000     1.0080   ; qtot  7.810
+  1784        HA2    119      ASP    HB2   1784     0.090000     1.0080   ; qtot  7.900
+  1785         CC    119      ASP     CG   1785     0.620000    12.0110   ; qtot  8.520
+  1786         OC    119      ASP    OD1   1786    -0.760000    15.9994   ; qtot  7.760
+  1787         OC    119      ASP    OD2   1787    -0.760000    15.9994   ; qtot  7.000
+  1788          C    119      ASP      C   1788     0.510000    12.0110   ; qtot  7.510
+  1789          O    119      ASP      O   1789    -0.510000    15.9994   ; qtot  7.000
+  1790        NH1    120      VAL      N   1790    -0.470000    14.0070   ; qtot  6.530
+  1791          H    120      VAL     HN   1791     0.310000     1.0080   ; qtot  6.840
+  1792        CT1    120      VAL     CA   1792     0.070000    12.0110   ; qtot  6.910
+  1793        HB1    120      VAL     HA   1793     0.090000     1.0080   ; qtot  7.000
+  1794        CT1    120      VAL     CB   1794    -0.090000    12.0110   ; qtot  6.910
+  1795        HA1    120      VAL     HB   1795     0.090000     1.0080   ; qtot  7.000
+  1796        CT3    120      VAL    CG1   1796    -0.270000    12.0110   ; qtot  6.730
+  1797        HA3    120      VAL   HG11   1797     0.090000     1.0080   ; qtot  6.820
+  1798        HA3    120      VAL   HG12   1798     0.090000     1.0080   ; qtot  6.910
+  1799        HA3    120      VAL   HG13   1799     0.090000     1.0080   ; qtot  7.000
+  1800        CT3    120      VAL    CG2   1800    -0.270000    12.0110   ; qtot  6.730
+  1801        HA3    120      VAL   HG21   1801     0.090000     1.0080   ; qtot  6.820
+  1802        HA3    120      VAL   HG22   1802     0.090000     1.0080   ; qtot  6.910
+  1803        HA3    120      VAL   HG23   1803     0.090000     1.0080   ; qtot  7.000
+  1804          C    120      VAL      C   1804     0.510000    12.0110   ; qtot  7.510
+  1805          O    120      VAL      O   1805    -0.510000    15.9994   ; qtot  7.000
+  1806        NH1    121      GLN      N   1806    -0.470000    14.0070   ; qtot  6.530
+  1807          H    121      GLN     HN   1807     0.310000     1.0080   ; qtot  6.840
+  1808        CT1    121      GLN     CA   1808     0.070000    12.0110   ; qtot  6.910
+  1809        HB1    121      GLN     HA   1809     0.090000     1.0080   ; qtot  7.000
+  1810        CT2    121      GLN     CB   1810    -0.180000    12.0110   ; qtot  6.820
+  1811        HA2    121      GLN    HB1   1811     0.090000     1.0080   ; qtot  6.910
+  1812        HA2    121      GLN    HB2   1812     0.090000     1.0080   ; qtot  7.000
+  1813        CT2    121      GLN     CG   1813    -0.180000    12.0110   ; qtot  6.820
+  1814        HA2    121      GLN    HG1   1814     0.090000     1.0080   ; qtot  6.910
+  1815        HA2    121      GLN    HG2   1815     0.090000     1.0080   ; qtot  7.000
+  1816         CC    121      GLN     CD   1816     0.550000    12.0110   ; qtot  7.550
+  1817          O    121      GLN    OE1   1817    -0.550000    15.9994   ; qtot  7.000
+  1818        NH2    121      GLN    NE2   1818    -0.620000    14.0070   ; qtot  6.380
+  1819          H    121      GLN   HE21   1819     0.320000     1.0080   ; qtot  6.700
+  1820          H    121      GLN   HE22   1820     0.300000     1.0080   ; qtot  7.000
+  1821          C    121      GLN      C   1821     0.510000    12.0110   ; qtot  7.510
+  1822          O    121      GLN      O   1822    -0.510000    15.9994   ; qtot  7.000
+  1823        NH1    122      ALA      N   1823    -0.470000    14.0070   ; qtot  6.530
+  1824          H    122      ALA     HN   1824     0.310000     1.0080   ; qtot  6.840
+  1825        CT1    122      ALA     CA   1825     0.070000    12.0110   ; qtot  6.910
+  1826        HB1    122      ALA     HA   1826     0.090000     1.0080   ; qtot  7.000
+  1827        CT3    122      ALA     CB   1827    -0.270000    12.0110   ; qtot  6.730
+  1828        HA3    122      ALA    HB1   1828     0.090000     1.0080   ; qtot  6.820
+  1829        HA3    122      ALA    HB2   1829     0.090000     1.0080   ; qtot  6.910
+  1830        HA3    122      ALA    HB3   1830     0.090000     1.0080   ; qtot  7.000
+  1831          C    122      ALA      C   1831     0.510000    12.0110   ; qtot  7.510
+  1832          O    122      ALA      O   1832    -0.510000    15.9994   ; qtot  7.000
+  1833        NH1    123      TRP      N   1833    -0.470000    14.0070   ; qtot  6.530
+  1834          H    123      TRP     HN   1834     0.310000     1.0080   ; qtot  6.840
+  1835        CT1    123      TRP     CA   1835     0.070000    12.0110   ; qtot  6.910
+  1836        HB1    123      TRP     HA   1836     0.090000     1.0080   ; qtot  7.000
+  1837        CT2    123      TRP     CB   1837    -0.180000    12.0110   ; qtot  6.820
+  1838        HA2    123      TRP    HB1   1838     0.090000     1.0080   ; qtot  6.910
+  1839        HA2    123      TRP    HB2   1839     0.090000     1.0080   ; qtot  7.000
+  1840         CY    123      TRP     CG   1840    -0.030000    12.0110   ; qtot  6.970
+  1841         CA    123      TRP    CD1   1841    -0.150000    12.0110   ; qtot  6.820
+  1842         HP    123      TRP    HD1   1842     0.220000     1.0080   ; qtot  7.040
+  1843         NY    123      TRP    NE1   1843    -0.510000    14.0070   ; qtot  6.530
+  1844          H    123      TRP    HE1   1844     0.370000     1.0080   ; qtot  6.900
+  1845        CPT    123      TRP    CE2   1845     0.240000    12.0110   ; qtot  7.140
+  1846        CPT    123      TRP    CD2   1846     0.110000    12.0110   ; qtot  7.250
+  1847        CAI    123      TRP    CE3   1847    -0.250000    12.0110   ; qtot  7.000
+  1848         HP    123      TRP    HE3   1848     0.170000     1.0080   ; qtot  7.170
+  1849         CA    123      TRP    CZ3   1849    -0.200000    12.0110   ; qtot  6.970
+  1850         HP    123      TRP    HZ3   1850     0.140000     1.0080   ; qtot  7.110
+  1851        CAI    123      TRP    CZ2   1851    -0.270000    12.0110   ; qtot  6.840
+  1852         HP    123      TRP    HZ2   1852     0.160000     1.0080   ; qtot  7.000
+  1853         CA    123      TRP    CH2   1853    -0.140000    12.0110   ; qtot  6.860
+  1854         HP    123      TRP    HH2   1854     0.140000     1.0080   ; qtot  7.000
+  1855          C    123      TRP      C   1855     0.510000    12.0110   ; qtot  7.510
+  1856          O    123      TRP      O   1856    -0.510000    15.9994   ; qtot  7.000
+  1857        NH1    124      ILE      N   1857    -0.470000    14.0070   ; qtot  6.530
+  1858          H    124      ILE     HN   1858     0.310000     1.0080   ; qtot  6.840
+  1859        CT1    124      ILE     CA   1859     0.070000    12.0110   ; qtot  6.910
+  1860        HB1    124      ILE     HA   1860     0.090000     1.0080   ; qtot  7.000
+  1861        CT1    124      ILE     CB   1861    -0.090000    12.0110   ; qtot  6.910
+  1862        HA1    124      ILE     HB   1862     0.090000     1.0080   ; qtot  7.000
+  1863        CT3    124      ILE    CG2   1863    -0.270000    12.0110   ; qtot  6.730
+  1864        HA3    124      ILE   HG21   1864     0.090000     1.0080   ; qtot  6.820
+  1865        HA3    124      ILE   HG22   1865     0.090000     1.0080   ; qtot  6.910
+  1866        HA3    124      ILE   HG23   1866     0.090000     1.0080   ; qtot  7.000
+  1867        CT2    124      ILE    CG1   1867    -0.180000    12.0110   ; qtot  6.820
+  1868        HA2    124      ILE   HG11   1868     0.090000     1.0080   ; qtot  6.910
+  1869        HA2    124      ILE   HG12   1869     0.090000     1.0080   ; qtot  7.000
+  1870        CT3    124      ILE     CD   1870    -0.270000    12.0110   ; qtot  6.730
+  1871        HA3    124      ILE    HD1   1871     0.090000     1.0080   ; qtot  6.820
+  1872        HA3    124      ILE    HD2   1872     0.090000     1.0080   ; qtot  6.910
+  1873        HA3    124      ILE    HD3   1873     0.090000     1.0080   ; qtot  7.000
+  1874          C    124      ILE      C   1874     0.510000    12.0110   ; qtot  7.510
+  1875          O    124      ILE      O   1875    -0.510000    15.9994   ; qtot  7.000
+  1876        NH1    125      ARG      N   1876    -0.470000    14.0070   ; qtot  6.530
+  1877          H    125      ARG     HN   1877     0.310000     1.0080   ; qtot  6.840
+  1878        CT1    125      ARG     CA   1878     0.070000    12.0110   ; qtot  6.910
+  1879        HB1    125      ARG     HA   1879     0.090000     1.0080   ; qtot  7.000
+  1880        CT2    125      ARG     CB   1880    -0.180000    12.0110   ; qtot  6.820
+  1881        HA2    125      ARG    HB1   1881     0.090000     1.0080   ; qtot  6.910
+  1882        HA2    125      ARG    HB2   1882     0.090000     1.0080   ; qtot  7.000
+  1883        CT2    125      ARG     CG   1883    -0.180000    12.0110   ; qtot  6.820
+  1884        HA2    125      ARG    HG1   1884     0.090000     1.0080   ; qtot  6.910
+  1885        HA2    125      ARG    HG2   1885     0.090000     1.0080   ; qtot  7.000
+  1886        CT2    125      ARG     CD   1886     0.200000    12.0110   ; qtot  7.200
+  1887        HA2    125      ARG    HD1   1887     0.090000     1.0080   ; qtot  7.290
+  1888        HA2    125      ARG    HD2   1888     0.090000     1.0080   ; qtot  7.380
+  1889        NC2    125      ARG     NE   1889    -0.700000    14.0070   ; qtot  6.680
+  1890         HC    125      ARG     HE   1890     0.440000     1.0080   ; qtot  7.120
+  1891          C    125      ARG     CZ   1891     0.640000    12.0110   ; qtot  7.760
+  1892        NC2    125      ARG    NH1   1892    -0.800000    14.0070   ; qtot  6.960
+  1893         HC    125      ARG   HH11   1893     0.460000     1.0080   ; qtot  7.420
+  1894         HC    125      ARG   HH12   1894     0.460000     1.0080   ; qtot  7.880
+  1895        NC2    125      ARG    NH2   1895    -0.800000    14.0070   ; qtot  7.080
+  1896         HC    125      ARG   HH21   1896     0.460000     1.0080   ; qtot  7.540
+  1897         HC    125      ARG   HH22   1897     0.460000     1.0080   ; qtot  8.000
+  1898          C    125      ARG      C   1898     0.510000    12.0110   ; qtot  8.510
+  1899          O    125      ARG      O   1899    -0.510000    15.9994   ; qtot  8.000
+  1900        NH1    126      GLY      N   1900    -0.470000    14.0070   ; qtot  7.530
+  1901          H    126      GLY     HN   1901     0.310000     1.0080   ; qtot  7.840
+  1902        CT2    126      GLY     CA   1902    -0.020000    12.0110   ; qtot  7.820
+  1903        HB2    126      GLY    HA1   1903     0.090000     1.0080   ; qtot  7.910
+  1904        HB2    126      GLY    HA2   1904     0.090000     1.0080   ; qtot  8.000
+  1905          C    126      GLY      C   1905     0.510000    12.0110   ; qtot  8.510
+  1906          O    126      GLY      O   1906    -0.510000    15.9994   ; qtot  8.000
+  1907        NH1    127      CYS      N   1907    -0.470000    14.0070   ; qtot  7.530
+  1908          H    127      CYS     HN   1908     0.310000     1.0080   ; qtot  7.840
+  1909        CT1    127      CYS     CA   1909     0.070000    12.0110   ; qtot  7.910
+  1910        HB1    127      CYS     HA   1910     0.090000     1.0080   ; qtot  8.000
+  1911        CT2    127      CYS     CB   1911    -0.100000    12.0110   ; qtot  7.900
+  1912        HA2    127      CYS    HB1   1912     0.090000     1.0080   ; qtot  7.990
+  1913        HA2    127      CYS    HB2   1913     0.090000     1.0080   ; qtot  8.080
+  1914         SM    127      CYS     SG   1914    -0.080000    32.0600   ; qtot  8.000
+  1915          C    127      CYS      C   1915     0.510000    12.0110   ; qtot  8.510
+  1916          O    127      CYS      O   1916    -0.510000    15.9994   ; qtot  8.000
+  1917        NH1    128      ARG      N   1917    -0.470000    14.0070   ; qtot  7.530
+  1918          H    128      ARG     HN   1918     0.310000     1.0080   ; qtot  7.840
+  1919        CT1    128      ARG     CA   1919     0.070000    12.0110   ; qtot  7.910
+  1920        HB1    128      ARG     HA   1920     0.090000     1.0080   ; qtot  8.000
+  1921        CT2    128      ARG     CB   1921    -0.180000    12.0110   ; qtot  7.820
+  1922        HA2    128      ARG    HB1   1922     0.090000     1.0080   ; qtot  7.910
+  1923        HA2    128      ARG    HB2   1923     0.090000     1.0080   ; qtot  8.000
+  1924        CT2    128      ARG     CG   1924    -0.180000    12.0110   ; qtot  7.820
+  1925        HA2    128      ARG    HG1   1925     0.090000     1.0080   ; qtot  7.910
+  1926        HA2    128      ARG    HG2   1926     0.090000     1.0080   ; qtot  8.000
+  1927        CT2    128      ARG     CD   1927     0.200000    12.0110   ; qtot  8.200
+  1928        HA2    128      ARG    HD1   1928     0.090000     1.0080   ; qtot  8.290
+  1929        HA2    128      ARG    HD2   1929     0.090000     1.0080   ; qtot  8.380
+  1930        NC2    128      ARG     NE   1930    -0.700000    14.0070   ; qtot  7.680
+  1931         HC    128      ARG     HE   1931     0.440000     1.0080   ; qtot  8.120
+  1932          C    128      ARG     CZ   1932     0.640000    12.0110   ; qtot  8.760
+  1933        NC2    128      ARG    NH1   1933    -0.800000    14.0070   ; qtot  7.960
+  1934         HC    128      ARG   HH11   1934     0.460000     1.0080   ; qtot  8.420
+  1935         HC    128      ARG   HH12   1935     0.460000     1.0080   ; qtot  8.880
+  1936        NC2    128      ARG    NH2   1936    -0.800000    14.0070   ; qtot  8.080
+  1937         HC    128      ARG   HH21   1937     0.460000     1.0080   ; qtot  8.540
+  1938         HC    128      ARG   HH22   1938     0.460000     1.0080   ; qtot  9.000
+  1939          C    128      ARG      C   1939     0.510000    12.0110   ; qtot  9.510
+  1940          O    128      ARG      O   1940    -0.510000    15.9994   ; qtot  9.000
+  1941        NH1    129      LEU      N   1941    -0.470000    14.0070   ; qtot  8.530
+  1942          H    129      LEU     HN   1942     0.310000     1.0080   ; qtot  8.840
+  1943        CT1    129      LEU     CA   1943     0.070000    12.0110   ; qtot  8.910
+  1944        HB1    129      LEU     HA   1944     0.090000     1.0080   ; qtot  9.000
+  1945        CT2    129      LEU     CB   1945    -0.180000    12.0110   ; qtot  8.820
+  1946        HA2    129      LEU    HB1   1946     0.090000     1.0080   ; qtot  8.910
+  1947        HA2    129      LEU    HB2   1947     0.090000     1.0080   ; qtot  9.000
+  1948        CT1    129      LEU     CG   1948    -0.090000    12.0110   ; qtot  8.910
+  1949        HA1    129      LEU     HG   1949     0.090000     1.0080   ; qtot  9.000
+  1950        CT3    129      LEU    CD1   1950    -0.270000    12.0110   ; qtot  8.730
+  1951        HA3    129      LEU   HD11   1951     0.090000     1.0080   ; qtot  8.820
+  1952        HA3    129      LEU   HD12   1952     0.090000     1.0080   ; qtot  8.910
+  1953        HA3    129      LEU   HD13   1953     0.090000     1.0080   ; qtot  9.000
+  1954        CT3    129      LEU    CD2   1954    -0.270000    12.0110   ; qtot  8.730
+  1955        HA3    129      LEU   HD21   1955     0.090000     1.0080   ; qtot  8.820
+  1956        HA3    129      LEU   HD22   1956     0.090000     1.0080   ; qtot  8.910
+  1957        HA3    129      LEU   HD23   1957     0.090000     1.0080   ; qtot  9.000
+  1958         CC    129      LEU      C   1958     0.340000    12.0110   ; qtot  9.340
+  1959         OC    129      LEU    OT1   1959    -0.670000    15.9994   ; qtot  8.670
+  1960         OC    129      LEU    OT2   1960    -0.670000    15.9994   ; qtot  8.000
+
+[ bonds ]
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+
+[ pairs ]
+; ai	aj	funct	c6	c12 or
+; ai	aj	funct	fudgeQQ	q1	q2	c6	c12
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+[ angles ] 
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+
+[ dihedrals ]
+; ai	aj	ak	al	funct	q0	cq
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+
+[ cmap ] 
+; ai	aj	ak	al	am	funct
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+ 1506  1508  1510  1518  1520     1
+ 1518  1520  1522  1525  1527     1
+ 1525  1527  1529  1539  1541     1
+ 1539  1541  1543  1546  1548     1
+ 1546  1548  1550  1563  1565     1
+ 1563  1565  1567  1577  1579     1
+ 1577  1579  1581  1587  1589     1
+ 1587  1589  1591  1611  1613     1
+ 1611  1613  1615  1627  1629     1
+ 1627  1629  1631  1637  1639     1
+ 1637  1639  1641  1661  1663     1
+ 1661  1663  1665  1685  1687     1
+ 1685  1687  1689  1699  1701     1
+ 1699  1701  1703  1723  1725     1
+ 1723  1725  1727  1733  1735     1
+ 1733  1735  1737  1755  1757     1
+ 1755  1757  1759  1762  1764     1
+ 1762  1764  1766  1776  1778     1
+ 1776  1778  1780  1788  1790     1
+ 1788  1790  1792  1804  1806     1
+ 1804  1806  1808  1821  1823     1
+ 1821  1823  1825  1831  1833     1
+ 1831  1833  1835  1855  1857     1
+ 1855  1857  1859  1874  1876     1
+ 1874  1876  1878  1898  1900     1
+ 1898  1900  1902  1905  1907     1
+ 1905  1907  1909  1915  1917     1
+ 1915  1917  1919  1939  1941     1
+
+#ifdef POSRES
+[ position_restraints ]
+    1     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+    5     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+    7     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+   10     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+   13     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+   16     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+   19     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+   23     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+   24     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+   25     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+   27     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+   29     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+   31     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+   35     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+   39     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+   40     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+   41     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+   43     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+   45     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+   48     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+   49     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+   51     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+   53     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+   55     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+   57     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+   59     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+   60     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+   61     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+   63     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+   66     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+   67     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+   68     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+   70     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+   72     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+   75     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+   78     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+   81     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+   83     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+   84     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+   87     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+   90     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+   91     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+   92     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+   94     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+   96     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+   99     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+  100     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+  101     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+  102     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+  104     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+  106     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+  109     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+  112     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+  113     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+  114     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+  115     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+  116     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+  117     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+  119     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+  121     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+  124     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+  126     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+  130     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+  134     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+  135     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+  136     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+  138     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+  140     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+  144     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+  145     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+  146     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+  148     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+  150     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+  154     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+  155     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+  156     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+  158     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+  160     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+  164     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+  165     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+  166     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+  168     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+  170     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+  173     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+  176     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+  177     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+  181     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+  182     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+  183     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+  185     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+  187     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+  190     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+  193     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+  196     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+  199     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+  203     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+  204     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+  205     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+  207     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+  209     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+  212     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+  215     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+  218     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+  220     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+  221     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+  224     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+  227     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+  228     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+  229     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+  231     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+  233     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+  236     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+  238     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+  239     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+  241     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+  242     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+  244     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+  245     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+  246     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+  248     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+  251     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+  252     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+  253     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+  255     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+  257     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+  260     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+  262     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+  266     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+  270     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+  271     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+  272     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+  274     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+  276     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+  279     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+  280     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+  281     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+  282     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+  283     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+  284     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+  286     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+  288     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+  291     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+  292     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+  293     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+  296     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+  297     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+  298     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+  300     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+  302     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+  305     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+  306     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+  308     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+  310     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+  311     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+  313     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+  315     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+  317     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+  318     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+  319     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+  321     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+  323     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+  326     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+  329     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+  332     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+  334     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+  335     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+  338     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+  341     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+  342     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+  343     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+  345     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+  348     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+  349     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+  350     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+  352     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+  354     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+  357     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+  358     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+  360     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+  362     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+  363     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+  365     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+  367     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+  369     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+  370     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+  371     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+  373     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+  375     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+  378     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+  380     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+  381     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+  382     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+  384     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+  386     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+  389     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+  391     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+  395     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+  399     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+  400     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+  401     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+  403     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+  406     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+  407     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+  408     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+  410     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+  412     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+  415     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+  416     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+  417     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+  420     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+  421     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+  422     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+  424     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+  426     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+  429     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+  430     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+  432     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+  434     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+  435     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+  436     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+  438     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+  440     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+  442     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+  444     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+  445     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+  446     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+  448     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+  450     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+  452     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+  456     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+  460     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+  461     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+  462     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+  464     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+  466     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+  469     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+  470     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+  471     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+  472     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+  474     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+  476     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+  480     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+  481     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+  482     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+  484     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+  486     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+  490     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+  491     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+  492     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+  494     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+  496     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+  499     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+  502     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+  505     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+  508     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+  512     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+  513     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+  514     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+  516     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+  518     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+  521     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+  522     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+  524     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
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+ 1601     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+ 1602     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+ 1603     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+ 1605     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+ 1607     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+ 1609     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+ 1611     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+ 1612     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+ 1613     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+ 1615     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+ 1617     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+ 1619     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+ 1623     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+ 1627     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+ 1628     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+ 1629     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+ 1631     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+ 1633     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+ 1637     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+ 1638     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+ 1639     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+ 1641     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+ 1643     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+ 1646     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+ 1647     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+ 1649     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+ 1651     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+ 1652     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+ 1653     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+ 1655     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+ 1657     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+ 1659     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+ 1661     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+ 1662     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+ 1663     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+ 1665     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+ 1667     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+ 1670     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+ 1673     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+ 1676     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+ 1678     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+ 1679     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+ 1682     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+ 1685     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+ 1686     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+ 1687     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+ 1689     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+ 1691     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+ 1694     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+ 1695     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+ 1696     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+ 1699     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+ 1700     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+ 1701     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+ 1703     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+ 1705     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+ 1708     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+ 1711     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+ 1714     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+ 1716     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+ 1717     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+ 1720     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+ 1723     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+ 1724     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+ 1725     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+ 1727     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+ 1729     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+ 1732     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+ 1733     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+ 1734     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+ 1735     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+ 1737     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+ 1739     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+ 1742     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+ 1745     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+ 1748     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+ 1751     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+ 1755     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+ 1756     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+ 1757     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+ 1759     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+ 1762     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+ 1763     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+ 1764     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+ 1766     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+ 1768     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+ 1770     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+ 1772     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+ 1776     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+ 1777     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+ 1778     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+ 1780     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+ 1782     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+ 1785     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+ 1786     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+ 1787     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+ 1788     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+ 1789     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+ 1790     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+ 1792     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+ 1794     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+ 1796     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+ 1800     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+ 1804     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+ 1805     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+ 1806     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+ 1808     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+ 1810     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+ 1813     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+ 1816     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+ 1817     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+ 1818     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+ 1821     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+ 1822     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+ 1823     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+ 1825     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+ 1827     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+ 1831     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+ 1832     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+ 1833     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+ 1835     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+ 1837     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+ 1840     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+ 1841     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+ 1843     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+ 1845     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+ 1846     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+ 1847     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+ 1849     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+ 1851     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+ 1853     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+ 1855     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+ 1856     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+ 1857     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+ 1859     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+ 1861     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+ 1863     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+ 1867     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+ 1870     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+ 1874     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+ 1875     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+ 1876     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+ 1878     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+ 1880     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+ 1883     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+ 1886     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+ 1889     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+ 1891     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+ 1892     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+ 1895     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+ 1898     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+ 1899     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+ 1900     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+ 1902     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+ 1905     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+ 1906     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+ 1907     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+ 1909     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+ 1911     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+ 1914     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+ 1915     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+ 1916     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+ 1917     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+ 1919     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+ 1921     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+ 1924     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+ 1927     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+ 1930     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+ 1932     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+ 1933     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+ 1936     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+ 1939     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+ 1940     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+ 1941     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+ 1943     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+ 1945     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+ 1948     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+ 1950     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+ 1954     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+ 1958     1    POSRES_FC_BB    POSRES_FC_BB    POSRES_FC_BB   
+ 1959     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+ 1960     1    POSRES_FC_SC    POSRES_FC_SC    POSRES_FC_SC   
+#endif
diff --git a/gromacs-demos/vacf/toppar/SOD.itp b/gromacs-demos/vacf/toppar/SOD.itp
new file mode 100644
index 0000000..b25f2c6
--- /dev/null
+++ b/gromacs-demos/vacf/toppar/SOD.itp
@@ -0,0 +1,17 @@
+;;
+;; Generated by CHARMM-GUI FF-Converter
+;;
+;; Correspondance:
+;; jul316@lehigh.edu or wonpil@lehigh.edu
+;;
+;; GROMACS topology file for SOD
+;;
+
+
+[ moleculetype ]
+; name	nrexcl
+SOD	     1
+
+[ atoms ]
+; nr	type	resnr	residu	atom	cgnr	charge	mass
+     1        SOD      1      SOD    SOD      1     1.000000    22.9898   ; qtot  1.000
diff --git a/gromacs-demos/vacf/toppar/TIP3.itp b/gromacs-demos/vacf/toppar/TIP3.itp
new file mode 100644
index 0000000..352ac9d
--- /dev/null
+++ b/gromacs-demos/vacf/toppar/TIP3.itp
@@ -0,0 +1,28 @@
+;;
+;; Generated by CHARMM-GUI FF-Converter
+;;
+;; Correspondance:
+;; jul316@lehigh.edu or wonpil@lehigh.edu
+;;
+;; GROMACS topology file for TIP3
+;;
+
+
+[ moleculetype ]
+; name	nrexcl
+TIP3	     2
+
+[ atoms ]
+; nr	type	resnr	residu	atom	cgnr	charge	mass
+     1         OT      1     TIP3    OH2      1    -0.834000    15.9994   ; qtot -0.834
+     2         HT      1     TIP3     H1      2     0.417000     1.0080   ; qtot -0.417
+     3         HT      1     TIP3     H2      3     0.417000     1.0080   ; qtot  0.000
+
+[ settles ]
+; OW	funct	doh	dhh
+    1     1  9.572000e-02  1.513900e-01
+
+[ exclusions ]
+    1     2     3
+    2     1     3
+    3     1     2
diff --git a/gromacs-demos/vacf/toppar/forcefield.itp b/gromacs-demos/vacf/toppar/forcefield.itp
new file mode 100644
index 0000000..bd2dcd0
--- /dev/null
+++ b/gromacs-demos/vacf/toppar/forcefield.itp
@@ -0,0 +1,1312 @@
+;;
+;; Generated by CHARMM-GUI FF-Converter
+;;
+;; Correspondance:
+;; jul316@lehigh.edu or wonpil@lehigh.edu
+;;
+;; CHARMM FF in GROMACS format
+;;
+
+
+[ defaults ]
+; nbfunc	comb-rule	gen-pairs	fudgeLJ	fudgeQQ
+1	2	yes	1.000000	1.000000
+
+[ atomtypes ]
+; name	at.num	mass	charge	ptype	sigma	epsilon	;	sigma_14	epsilon_14
+       H     1     1.0080      0.310     A    4.00013524445e-02    1.924640e-01 
+     HA1     1     1.0080      0.090     A    2.38760856462e-01    1.882800e-01 
+     HA2     1     1.0080      0.090     A    2.38760856462e-01    1.422560e-01 
+     HA3     1     1.0080      0.090     A    2.38760856462e-01    1.004160e-01 
+     HB1     1     1.0080      0.100     A    2.35197261589e-01    9.204800e-02 
+     HB2     1     1.0080      0.090     A    2.38760856462e-01    1.171520e-01 
+      HC     1     1.0080      0.330     A    4.00013524445e-02    1.924640e-01 
+      HP     1     1.0080      0.115     A    2.42003727796e-01    1.255200e-01 ;   2.42003727796e-01    1.255200e-01 
+     HR1     1     1.0080      0.130     A    1.60361769265e-01    1.924640e-01 
+     HR3     1     1.0080      0.100     A    2.61567863646e-01    3.263520e-02 
+      HT     1     1.0080      0.417     A    4.00013524445e-02    1.924640e-01 
+       C     6    12.0110      0.510     A    3.56359487256e-01    4.602400e-01 
+      CA     6    12.0110      0.000     A    3.55005321205e-01    2.928800e-01 
+     CAI     6    12.0110     -0.250     A    3.54577689820e-01    3.054320e-01 
+      CC     6    12.0110      0.620     A    3.56359487256e-01    2.928800e-01 
+     CP1     6    12.0110      0.020     A    4.05358916754e-01    8.368000e-02 ;   3.38541512893e-01    4.184000e-02 
+     CP2     6    12.0110     -0.180     A    3.87540942391e-01    2.301200e-01 ;   3.38541512893e-01    4.184000e-02 
+     CP3     6    12.0110      0.000     A    3.87540942391e-01    2.301200e-01 ;   3.38541512893e-01    4.184000e-02 
+    CPH1     6    12.0110     -0.050     A    3.20723538531e-01    2.092000e-01 
+    CPH2     6    12.0110      0.250     A    3.20723538531e-01    2.092000e-01 
+     CPT     6    12.0110      0.240     A    3.31414323148e-01    4.142160e-01 
+     CT1     6    12.0110      0.210     A    3.56359487256e-01    1.338880e-01 ;   3.38541512893e-01    4.184000e-02 
+     CT2     6    12.0110     -0.180     A    3.58141284692e-01    2.343040e-01 ;   3.38541512893e-01    4.184000e-02 
+    CT2A     6    12.0110     -0.180     A    3.58141284692e-01    2.343040e-01 ;   3.38541512893e-01    4.184000e-02 
+     CT3     6    12.0110     -0.270     A    3.63486677001e-01    3.263520e-01 ;   3.38541512893e-01    4.184000e-02 
+      CY     6    12.0110     -0.030     A    3.54577689820e-01    3.054320e-01 
+       N     7    14.0070     -0.290     A    3.29632525712e-01    8.368000e-01 ;   3.29632525712e-01    4.184000e-04 
+     NC2     7    14.0070     -0.700     A    3.29632525712e-01    8.368000e-01 
+     NH1     7    14.0070     -0.470     A    3.29632525712e-01    8.368000e-01 ;   2.76178602624e-01    8.368000e-01 
+     NH2     7    14.0070     -0.620     A    3.29632525712e-01    8.368000e-01 
+     NH3     7    14.0070     -0.300     A    3.29632525712e-01    8.368000e-01 
+     NR1     7    14.0070     -0.360     A    3.29632525712e-01    8.368000e-01 
+     NR2     7    14.0070     -0.700     A    3.29632525712e-01    8.368000e-01 
+      NY     7    14.0070     -0.510     A    3.29632525712e-01    8.368000e-01 
+       O     8    15.9990     -0.510     A    3.02905564168e-01    5.020800e-01 ;   2.49451641079e-01    5.020800e-01 
+      OC     8    15.9990     -0.760     A    3.02905564168e-01    5.020800e-01 
+     OH1     8    15.9990     -0.540     A    3.15378146222e-01    6.363864e-01 
+      OT     8    15.9994     -0.834     A    3.15057422683e-01    6.363864e-01 
+     SOD    11    22.9898      1.000     A    2.51367073323e-01    1.962296e-01 
+       S    16    32.0600     -0.090     A    3.56359487256e-01    1.882800e+00 
+      SM    16    32.0600     -0.080     A    3.51904993665e-01    1.589920e+00 
+     CLA    17    35.4500     -1.000     A    4.04468018036e-01    6.276000e-01 
+
+[ nonbond_params ]
+; i	j	func	sigma	epsilon
+    CLA     SOD     1  3.32394311738e-01  3.51037600000e-01 
+    NC2      OC     1  3.24019863788e-01  6.48181096000e-01 
+    SOD      OC     1  2.87760285959e-01  3.13883680000e-01 
+
+[ bondtypes ]
+; i	j	func	b0	Kb
+     CA      CA     1  1.375000e-01  2.552240e+05
+     CA     CAI     1  1.375000e-01  2.552240e+05
+    CP1       C     1  1.490000e-01  2.092000e+05
+    CP2     CP1     1  1.527000e-01  1.861880e+05
+    CP2     CP2     1  1.537000e-01  1.861880e+05
+    CP3     CP2     1  1.537000e-01  1.861880e+05
+   CPH1    CPH1     1  1.360000e-01  3.430880e+05
+    CPT     CAI     1  1.360000e-01  2.510400e+05
+    CPT     CPT     1  1.385000e-01  3.012480e+05
+    CT1       C     1  1.490000e-01  2.092000e+05
+    CT1      CC     1  1.522000e-01  1.673600e+05
+    CT1     CT1     1  1.500000e-01  1.861880e+05
+    CT2       C     1  1.490000e-01  2.092000e+05
+    CT2      CA     1  1.490000e-01  1.924640e+05
+    CT2      CC     1  1.522000e-01  1.673600e+05
+    CT2    CPH1     1  1.500000e-01  1.921544e+05
+    CT2     CT1     1  1.538000e-01  1.861880e+05
+    CT2     CT2     1  1.530000e-01  1.861880e+05
+    CT2    CT2A     1  1.530000e-01  1.861880e+05
+   CT2A      CC     1  1.522000e-01  1.673600e+05
+   CT2A     CT1     1  1.538000e-01  1.861880e+05
+   CT2A     HA2     1  1.111000e-01  2.585712e+05
+    CT3     CT1     1  1.538000e-01  1.861880e+05
+    CT3     CT2     1  1.528000e-01  1.861880e+05
+     CY      CA     1  1.365000e-01  2.928800e+05
+     CY     CPT     1  1.430000e-01  2.928800e+05
+     CY     CT2     1  1.492000e-01  3.138000e+05
+    HA1     CT1     1  1.111000e-01  2.585712e+05
+    HA2     CP2     1  1.111000e-01  2.585712e+05
+    HA2     CP3     1  1.111000e-01  2.585712e+05
+    HA2     CT2     1  1.111000e-01  2.585712e+05
+    HA3     CT3     1  1.111000e-01  2.694496e+05
+    HB1     CP1     1  1.080000e-01  2.761440e+05
+    HB1     CT1     1  1.080000e-01  2.761440e+05
+    HB2     CT2     1  1.080000e-01  2.761440e+05
+     HP      CA     1  1.080000e-01  2.845120e+05
+     HP     CAI     1  1.080000e-01  2.845120e+05
+    HR1    CPH2     1  1.090000e-01  2.845120e+05
+    HR3    CPH1     1  1.083000e-01  3.054320e+05
+     HT      HT     1  1.513900e-01  0.000000e+00
+     HT      OT     1  9.572000e-02  3.765600e+05
+      N       C     1  1.300000e-01  2.175680e+05
+      N     CP1     1  1.434000e-01  2.677760e+05
+      N     CP3     1  1.455000e-01  2.677760e+05
+    NC2       C     1  1.365000e-01  3.765600e+05
+    NC2     CT2     1  1.490000e-01  3.263520e+05
+    NC2      HC     1  1.000000e-01  3.807440e+05
+    NH1       C     1  1.345000e-01  3.096160e+05
+    NH1     CT1     1  1.430000e-01  2.677760e+05
+    NH1     CT2     1  1.430000e-01  2.677760e+05
+    NH1       H     1  9.970000e-02  3.681920e+05
+    NH2      CC     1  1.360000e-01  3.598240e+05
+    NH2       H     1  1.000000e-01  4.016640e+05
+    NH3     CT1     1  1.480000e-01  1.673600e+05
+    NH3     CT2     1  1.480000e-01  1.673600e+05
+    NH3      HC     1  1.040000e-01  3.372304e+05
+    NR1    CPH1     1  1.380000e-01  3.347200e+05
+    NR1    CPH2     1  1.360000e-01  3.347200e+05
+    NR1       H     1  1.000000e-01  3.899488e+05
+    NR2    CPH1     1  1.380000e-01  3.347200e+05
+    NR2    CPH2     1  1.320000e-01  3.347200e+05
+     NY      CA     1  1.370000e-01  2.259360e+05
+     NY     CPT     1  1.370000e-01  2.259360e+05
+     NY       H     1  9.760000e-02  4.497800e+05
+      O       C     1  1.230000e-01  5.188160e+05
+      O      CC     1  1.230000e-01  5.439200e+05
+     OC      CC     1  1.260000e-01  4.393200e+05
+    OH1      CA     1  1.411000e-01  2.797422e+05
+    OH1     CT1     1  1.420000e-01  3.581504e+05
+    OH1     CT2     1  1.420000e-01  3.581504e+05
+    OH1       H     1  9.600000e-02  4.560560e+05
+      S     CT2     1  1.818000e-01  1.656864e+05
+      S     CT3     1  1.816000e-01  2.008320e+05
+     SM     CT2     1  1.816000e-01  1.790752e+05
+     SM      SM     1  2.029000e-01  1.447664e+05
+
+[ pairtypes ]
+; i	j	func	sigma1-4	epsilon1-4
+      H     CP1     1  1.89271432669e-01  8.97368027066e-02 
+      H     CP2     1  1.89271432669e-01  8.97368027066e-02 
+      H     CP3     1  1.89271432669e-01  8.97368027066e-02 
+      H     CT1     1  1.89271432669e-01  8.97368027066e-02 
+      H     CT2     1  1.89271432669e-01  8.97368027066e-02 
+      H    CT2A     1  1.89271432669e-01  8.97368027066e-02 
+      H     CT3     1  1.89271432669e-01  8.97368027066e-02 
+      H       N     1  1.84816939078e-01  8.97368027066e-03 
+      H     NH1     1  1.58089977534e-01  4.01315181871e-01 
+      H       O     1  1.44726496762e-01  3.10857403193e-01 
+    HA1     CP1     1  2.88651184677e-01  8.87560431745e-02 
+    HA1     CP2     1  2.88651184677e-01  8.87560431745e-02 
+    HA1     CP3     1  2.88651184677e-01  8.87560431745e-02 
+    HA1     CT1     1  2.88651184677e-01  8.87560431745e-02 
+    HA1     CT2     1  2.88651184677e-01  8.87560431745e-02 
+    HA1    CT2A     1  2.88651184677e-01  8.87560431745e-02 
+    HA1     CT3     1  2.88651184677e-01  8.87560431745e-02 
+    HA1       N     1  2.84196691087e-01  8.87560431745e-03 
+    HA1     NH1     1  2.57469729543e-01  3.96929091904e-01 
+    HA1       O     1  2.44106248770e-01  3.07459952514e-01 
+    HA2     CP1     1  2.88651184677e-01  7.71491480186e-02 
+    HA2     CP2     1  2.88651184677e-01  7.71491480186e-02 
+    HA2     CP3     1  2.88651184677e-01  7.71491480186e-02 
+    HA2     CT1     1  2.88651184677e-01  7.71491480186e-02 
+    HA2     CT2     1  2.88651184677e-01  7.71491480186e-02 
+    HA2    CT2A     1  2.88651184677e-01  7.71491480186e-02 
+    HA2     CT3     1  2.88651184677e-01  7.71491480186e-02 
+    HA2       N     1  2.84196691087e-01  7.71491480186e-03 
+    HA2     NH1     1  2.57469729543e-01  3.45021478752e-01 
+    HA2       O     1  2.44106248770e-01  2.67252488258e-01 
+    HA3     CP1     1  2.88651184677e-01  6.48182492821e-02 
+    HA3     CP2     1  2.88651184677e-01  6.48182492821e-02 
+    HA3     CP3     1  2.88651184677e-01  6.48182492821e-02 
+    HA3     CT1     1  2.88651184677e-01  6.48182492821e-02 
+    HA3     CT2     1  2.88651184677e-01  6.48182492821e-02 
+    HA3    CT2A     1  2.88651184677e-01  6.48182492821e-02 
+    HA3     CT3     1  2.88651184677e-01  6.48182492821e-02 
+    HA3       N     1  2.84196691087e-01  6.48182492821e-03 
+    HA3     NH1     1  2.57469729543e-01  2.89876023155e-01 
+    HA3       O     1  2.44106248770e-01  2.24537002029e-01 
+    HB1     CP1     1  2.86869387241e-01  6.20587489400e-02 
+    HB1     CP2     1  2.86869387241e-01  6.20587489400e-02 
+    HB1     CP3     1  2.86869387241e-01  6.20587489400e-02 
+    HB1     CT1     1  2.86869387241e-01  6.20587489400e-02 
+    HB1     CT2     1  2.86869387241e-01  6.20587489400e-02 
+    HB1    CT2A     1  2.86869387241e-01  6.20587489400e-02 
+    HB1     CT3     1  2.86869387241e-01  6.20587489400e-02 
+    HB1       N     1  2.82414893650e-01  6.20587489400e-03 
+    HB1     NH1     1  2.55687932106e-01  2.77535162457e-01 
+    HB1       O     1  2.42324451334e-01  2.14977812437e-01 
+    HB2     CP1     1  2.88651184677e-01  7.00117110204e-02 
+    HB2     CP2     1  2.88651184677e-01  7.00117110204e-02 
+    HB2     CP3     1  2.88651184677e-01  7.00117110204e-02 
+    HB2     CT1     1  2.88651184677e-01  7.00117110204e-02 
+    HB2     CT2     1  2.88651184677e-01  7.00117110204e-02 
+    HB2    CT2A     1  2.88651184677e-01  7.00117110204e-02 
+    HB2     CT3     1  2.88651184677e-01  7.00117110204e-02 
+    HB2       N     1  2.84196691087e-01  7.00117110204e-03 
+    HB2     NH1     1  2.57469729543e-01  3.13101890125e-01 
+    HB2       O     1  2.44106248770e-01  2.42527681224e-01 
+     HC     CP1     1  1.89271432669e-01  8.97368027066e-02 
+     HC     CP2     1  1.89271432669e-01  8.97368027066e-02 
+     HC     CP3     1  1.89271432669e-01  8.97368027066e-02 
+     HC     CT1     1  1.89271432669e-01  8.97368027066e-02 
+     HC     CT2     1  1.89271432669e-01  8.97368027066e-02 
+     HC    CT2A     1  1.89271432669e-01  8.97368027066e-02 
+     HC     CT3     1  1.89271432669e-01  8.97368027066e-02 
+     HC       N     1  1.84816939078e-01  8.97368027066e-03 
+     HC     NH1     1  1.58089977534e-01  4.01315181871e-01 
+     HC       O     1  1.44726496762e-01  3.10857403193e-01 
+     HP     CP1     1  2.90272620344e-01  7.24690057887e-02 
+     HP     CP2     1  2.90272620344e-01  7.24690057887e-02 
+     HP     CP3     1  2.90272620344e-01  7.24690057887e-02 
+     HP     CT1     1  2.90272620344e-01  7.24690057887e-02 
+     HP     CT2     1  2.90272620344e-01  7.24690057887e-02 
+     HP    CT2A     1  2.90272620344e-01  7.24690057887e-02 
+     HP     CT3     1  2.90272620344e-01  7.24690057887e-02 
+     HP       N     1  2.85818126754e-01  7.24690057887e-03 
+     HP     NH1     1  2.59091165210e-01  3.24091246411e-01 
+     HP       O     1  2.45727684437e-01  2.51040000000e-01 
+    HR1     CP1     1  2.49451641079e-01  8.97368027066e-02 
+    HR1     CP2     1  2.49451641079e-01  8.97368027066e-02 
+    HR1     CP3     1  2.49451641079e-01  8.97368027066e-02 
+    HR1     CT1     1  2.49451641079e-01  8.97368027066e-02 
+    HR1     CT2     1  2.49451641079e-01  8.97368027066e-02 
+    HR1    CT2A     1  2.49451641079e-01  8.97368027066e-02 
+    HR1     CT3     1  2.49451641079e-01  8.97368027066e-02 
+    HR1       N     1  2.44997147489e-01  8.97368027066e-03 
+    HR1     NH1     1  2.18270185944e-01  4.01315181871e-01 
+    HR1       O     1  2.04906705172e-01  3.10857403193e-01 
+    HR3     CP1     1  3.00054688270e-01  3.69520874647e-02 
+    HR3     CP2     1  3.00054688270e-01  3.69520874647e-02 
+    HR3     CP3     1  3.00054688270e-01  3.69520874647e-02 
+    HR3     CT1     1  3.00054688270e-01  3.69520874647e-02 
+    HR3     CT2     1  3.00054688270e-01  3.69520874647e-02 
+    HR3    CT2A     1  3.00054688270e-01  3.69520874647e-02 
+    HR3     CT3     1  3.00054688270e-01  3.69520874647e-02 
+    HR3       N     1  2.95600194679e-01  3.69520874647e-03 
+    HR3     NH1     1  2.68873233135e-01  1.65254758963e-01 
+    HR3       O     1  2.55509752363e-01  1.28005785869e-01 
+     HT     CP1     1  1.89271432669e-01  8.97368027066e-02 
+     HT     CP2     1  1.89271432669e-01  8.97368027066e-02 
+     HT     CP3     1  1.89271432669e-01  8.97368027066e-02 
+     HT     CT1     1  1.89271432669e-01  8.97368027066e-02 
+     HT     CT2     1  1.89271432669e-01  8.97368027066e-02 
+     HT    CT2A     1  1.89271432669e-01  8.97368027066e-02 
+     HT     CT3     1  1.89271432669e-01  8.97368027066e-02 
+     HT       N     1  1.84816939078e-01  8.97368027066e-03 
+     HT     NH1     1  1.58089977534e-01  4.01315181871e-01 
+     HT       O     1  1.44726496762e-01  3.10857403193e-01 
+      C     CP1     1  3.47450500075e-01  1.38767581228e-01 
+      C     CP2     1  3.47450500075e-01  1.38767581228e-01 
+      C     CP3     1  3.47450500075e-01  1.38767581228e-01 
+      C     CT1     1  3.47450500075e-01  1.38767581228e-01 
+      C     CT2     1  3.47450500075e-01  1.38767581228e-01 
+      C    CT2A     1  3.47450500075e-01  1.38767581228e-01 
+      C     CT3     1  3.47450500075e-01  1.38767581228e-01 
+      C       N     1  3.42996006484e-01  1.38767581228e-02 
+      C     NH1     1  3.16269044940e-01  6.20587489400e-01 
+      C       O     1  3.02905564168e-01  4.80705002262e-01 
+     CA     CP1     1  3.46773417049e-01  1.10698234855e-01 
+     CA     CP2     1  3.46773417049e-01  1.10698234855e-01 
+     CA     CP3     1  3.46773417049e-01  1.10698234855e-01 
+     CA     CT1     1  3.46773417049e-01  1.10698234855e-01 
+     CA     CT2     1  3.46773417049e-01  1.10698234855e-01 
+     CA    CT2A     1  3.46773417049e-01  1.10698234855e-01 
+     CA     CT3     1  3.46773417049e-01  1.10698234855e-01 
+     CA       N     1  3.42318923458e-01  1.10698234855e-02 
+     CA     NH1     1  3.15591961914e-01  4.95057556250e-01 
+     CA       O     1  3.02228481142e-01  3.83469934154e-01 
+    CAI     CP1     1  3.46559601357e-01  1.13045454929e-01 
+    CAI     CP2     1  3.46559601357e-01  1.13045454929e-01 
+    CAI     CP3     1  3.46559601357e-01  1.13045454929e-01 
+    CAI     CT1     1  3.46559601357e-01  1.13045454929e-01 
+    CAI     CT2     1  3.46559601357e-01  1.13045454929e-01 
+    CAI    CT2A     1  3.46559601357e-01  1.13045454929e-01 
+    CAI     CT3     1  3.46559601357e-01  1.13045454929e-01 
+    CAI       N     1  3.42105107766e-01  1.13045454929e-02 
+    CAI     NH1     1  3.15378146222e-01  5.05554643535e-01 
+    CAI       O     1  3.02014665450e-01  3.91600943002e-01 
+     CC     CP1     1  3.47450500075e-01  1.10698234855e-01 
+     CC     CP2     1  3.47450500075e-01  1.10698234855e-01 
+     CC     CP3     1  3.47450500075e-01  1.10698234855e-01 
+     CC     CT1     1  3.47450500075e-01  1.10698234855e-01 
+     CC     CT2     1  3.47450500075e-01  1.10698234855e-01 
+     CC    CT2A     1  3.47450500075e-01  1.10698234855e-01 
+     CC     CT3     1  3.47450500075e-01  1.10698234855e-01 
+     CC       N     1  3.42996006484e-01  1.10698234855e-02 
+     CC     NH1     1  3.16269044940e-01  4.95057556250e-01 
+     CC       O     1  3.02905564168e-01  3.83469934154e-01 
+    CP1     CP1     1  3.38541512893e-01  4.18400000000e-02 
+    CP1     CP2     1  3.38541512893e-01  4.18400000000e-02 
+    CP1     CP3     1  3.38541512893e-01  4.18400000000e-02 
+    CP1    CPH1     1  3.29632525712e-01  9.35570841786e-02 
+    CP1    CPH2     1  3.29632525712e-01  9.35570841786e-02 
+    CP1     CPT     1  3.34977918021e-01  1.31646486622e-01 
+    CP1     CT1     1  3.38541512893e-01  4.18400000000e-02 
+    CP1     CT2     1  3.38541512893e-01  4.18400000000e-02 
+    CP1    CT2A     1  3.38541512893e-01  4.18400000000e-02 
+    CP1     CT3     1  3.38541512893e-01  4.18400000000e-02 
+    CP1      CY     1  3.46559601357e-01  1.13045454929e-01 
+    CP1       N     1  3.34087019303e-01  4.18400000000e-03 
+    CP1     NC2     1  3.34087019303e-01  1.87114168357e-01 
+    CP1     NH1     1  3.07360057758e-01  1.87114168357e-01 
+    CP1     NH2     1  3.34087019303e-01  1.87114168357e-01 
+    CP1     NH3     1  3.34087019303e-01  1.87114168357e-01 
+    CP1     NR1     1  3.34087019303e-01  1.87114168357e-01 
+    CP1     NR2     1  3.34087019303e-01  1.87114168357e-01 
+    CP1      NY     1  3.34087019303e-01  1.87114168357e-01 
+    CP1       O     1  2.93996576986e-01  1.44938011577e-01 
+    CP1      OC     1  3.20723538531e-01  1.44938011577e-01 
+    CP1     OH1     1  3.26959829558e-01  1.63176000000e-01 
+    CP1      OT     1  3.26799467788e-01  1.63176000000e-01 
+    CP1     SOD     1  2.94954293108e-01  9.06104103511e-02 
+    CP1       S     1  3.47450500075e-01  2.80671252536e-01 
+    CP1      SM     1  3.45223253279e-01  2.57919081884e-01 
+    CP1     CLA     1  3.71504765465e-01  1.62045623205e-01 
+    CP2     CP2     1  3.38541512893e-01  4.18400000000e-02 
+    CP2     CP3     1  3.38541512893e-01  4.18400000000e-02 
+    CP2    CPH1     1  3.29632525712e-01  9.35570841786e-02 
+    CP2    CPH2     1  3.29632525712e-01  9.35570841786e-02 
+    CP2     CPT     1  3.34977918021e-01  1.31646486622e-01 
+    CP2     CT1     1  3.38541512893e-01  4.18400000000e-02 
+    CP2     CT2     1  3.38541512893e-01  4.18400000000e-02 
+    CP2    CT2A     1  3.38541512893e-01  4.18400000000e-02 
+    CP2     CT3     1  3.38541512893e-01  4.18400000000e-02 
+    CP2      CY     1  3.46559601357e-01  1.13045454929e-01 
+    CP2       N     1  3.34087019303e-01  4.18400000000e-03 
+    CP2     NC2     1  3.34087019303e-01  1.87114168357e-01 
+    CP2     NH1     1  3.07360057758e-01  1.87114168357e-01 
+    CP2     NH2     1  3.34087019303e-01  1.87114168357e-01 
+    CP2     NH3     1  3.34087019303e-01  1.87114168357e-01 
+    CP2     NR1     1  3.34087019303e-01  1.87114168357e-01 
+    CP2     NR2     1  3.34087019303e-01  1.87114168357e-01 
+    CP2      NY     1  3.34087019303e-01  1.87114168357e-01 
+    CP2       O     1  2.93996576986e-01  1.44938011577e-01 
+    CP2      OC     1  3.20723538531e-01  1.44938011577e-01 
+    CP2     OH1     1  3.26959829558e-01  1.63176000000e-01 
+    CP2      OT     1  3.26799467788e-01  1.63176000000e-01 
+    CP2     SOD     1  2.94954293108e-01  9.06104103511e-02 
+    CP2       S     1  3.47450500075e-01  2.80671252536e-01 
+    CP2      SM     1  3.45223253279e-01  2.57919081884e-01 
+    CP2     CLA     1  3.71504765465e-01  1.62045623205e-01 
+    CP3     CP3     1  3.38541512893e-01  4.18400000000e-02 
+    CP3    CPH1     1  3.29632525712e-01  9.35570841786e-02 
+    CP3    CPH2     1  3.29632525712e-01  9.35570841786e-02 
+    CP3     CPT     1  3.34977918021e-01  1.31646486622e-01 
+    CP3     CT1     1  3.38541512893e-01  4.18400000000e-02 
+    CP3     CT2     1  3.38541512893e-01  4.18400000000e-02 
+    CP3    CT2A     1  3.38541512893e-01  4.18400000000e-02 
+    CP3     CT3     1  3.38541512893e-01  4.18400000000e-02 
+    CP3      CY     1  3.46559601357e-01  1.13045454929e-01 
+    CP3       N     1  3.34087019303e-01  4.18400000000e-03 
+    CP3     NC2     1  3.34087019303e-01  1.87114168357e-01 
+    CP3     NH1     1  3.07360057758e-01  1.87114168357e-01 
+    CP3     NH2     1  3.34087019303e-01  1.87114168357e-01 
+    CP3     NH3     1  3.34087019303e-01  1.87114168357e-01 
+    CP3     NR1     1  3.34087019303e-01  1.87114168357e-01 
+    CP3     NR2     1  3.34087019303e-01  1.87114168357e-01 
+    CP3      NY     1  3.34087019303e-01  1.87114168357e-01 
+    CP3       O     1  2.93996576986e-01  1.44938011577e-01 
+    CP3      OC     1  3.20723538531e-01  1.44938011577e-01 
+    CP3     OH1     1  3.26959829558e-01  1.63176000000e-01 
+    CP3      OT     1  3.26799467788e-01  1.63176000000e-01 
+    CP3     SOD     1  2.94954293108e-01  9.06104103511e-02 
+    CP3       S     1  3.47450500075e-01  2.80671252536e-01 
+    CP3      SM     1  3.45223253279e-01  2.57919081884e-01 
+    CP3     CLA     1  3.71504765465e-01  1.62045623205e-01 
+   CPH1     CT1     1  3.29632525712e-01  9.35570841786e-02 
+   CPH1     CT2     1  3.29632525712e-01  9.35570841786e-02 
+   CPH1    CT2A     1  3.29632525712e-01  9.35570841786e-02 
+   CPH1     CT3     1  3.29632525712e-01  9.35570841786e-02 
+   CPH1       N     1  3.25178032121e-01  9.35570841786e-03 
+   CPH1     NH1     1  2.98451070577e-01  4.18400000000e-01 
+   CPH1       O     1  2.85087589805e-01  3.24091246411e-01 
+   CPH2     CT1     1  3.29632525712e-01  9.35570841786e-02 
+   CPH2     CT2     1  3.29632525712e-01  9.35570841786e-02 
+   CPH2    CT2A     1  3.29632525712e-01  9.35570841786e-02 
+   CPH2     CT3     1  3.29632525712e-01  9.35570841786e-02 
+   CPH2       N     1  3.25178032121e-01  9.35570841786e-03 
+   CPH2     NH1     1  2.98451070577e-01  4.18400000000e-01 
+   CPH2       O     1  2.85087589805e-01  3.24091246411e-01 
+    CPT     CT1     1  3.34977918021e-01  1.31646486622e-01 
+    CPT     CT2     1  3.34977918021e-01  1.31646486622e-01 
+    CPT    CT2A     1  3.34977918021e-01  1.31646486622e-01 
+    CPT     CT3     1  3.34977918021e-01  1.31646486622e-01 
+    CPT       N     1  3.30523424430e-01  1.31646486622e-02 
+    CPT     NH1     1  3.03796462886e-01  5.88740986173e-01 
+    CPT       O     1  2.90432982114e-01  4.56036806936e-01 
+    CT1     CT1     1  3.38541512893e-01  4.18400000000e-02 
+    CT1     CT2     1  3.38541512893e-01  4.18400000000e-02 
+    CT1    CT2A     1  3.38541512893e-01  4.18400000000e-02 
+    CT1     CT3     1  3.38541512893e-01  4.18400000000e-02 
+    CT1      CY     1  3.46559601357e-01  1.13045454929e-01 
+    CT1       N     1  3.34087019303e-01  4.18400000000e-03 
+    CT1     NC2     1  3.34087019303e-01  1.87114168357e-01 
+    CT1     NH1     1  3.07360057758e-01  1.87114168357e-01 
+    CT1     NH2     1  3.34087019303e-01  1.87114168357e-01 
+    CT1     NH3     1  3.34087019303e-01  1.87114168357e-01 
+    CT1     NR1     1  3.34087019303e-01  1.87114168357e-01 
+    CT1     NR2     1  3.34087019303e-01  1.87114168357e-01 
+    CT1      NY     1  3.34087019303e-01  1.87114168357e-01 
+    CT1       O     1  2.93996576986e-01  1.44938011577e-01 
+    CT1      OC     1  3.20723538531e-01  1.44938011577e-01 
+    CT1     OH1     1  3.26959829558e-01  1.63176000000e-01 
+    CT1      OT     1  3.26799467788e-01  1.63176000000e-01 
+    CT1     SOD     1  2.94954293108e-01  9.06104103511e-02 
+    CT1       S     1  3.47450500075e-01  2.80671252536e-01 
+    CT1      SM     1  3.45223253279e-01  2.57919081884e-01 
+    CT1     CLA     1  3.71504765465e-01  1.62045623205e-01 
+    CT2     CT2     1  3.38541512893e-01  4.18400000000e-02 
+    CT2    CT2A     1  3.38541512893e-01  4.18400000000e-02 
+    CT2     CT3     1  3.38541512893e-01  4.18400000000e-02 
+    CT2      CY     1  3.46559601357e-01  1.13045454929e-01 
+    CT2       N     1  3.34087019303e-01  4.18400000000e-03 
+    CT2     NC2     1  3.34087019303e-01  1.87114168357e-01 
+    CT2     NH1     1  3.07360057758e-01  1.87114168357e-01 
+    CT2     NH2     1  3.34087019303e-01  1.87114168357e-01 
+    CT2     NH3     1  3.34087019303e-01  1.87114168357e-01 
+    CT2     NR1     1  3.34087019303e-01  1.87114168357e-01 
+    CT2     NR2     1  3.34087019303e-01  1.87114168357e-01 
+    CT2      NY     1  3.34087019303e-01  1.87114168357e-01 
+    CT2       O     1  2.93996576986e-01  1.44938011577e-01 
+    CT2      OC     1  3.20723538531e-01  1.44938011577e-01 
+    CT2     OH1     1  3.26959829558e-01  1.63176000000e-01 
+    CT2      OT     1  3.26799467788e-01  1.63176000000e-01 
+    CT2     SOD     1  2.94954293108e-01  9.06104103511e-02 
+    CT2       S     1  3.47450500075e-01  2.80671252536e-01 
+    CT2      SM     1  3.45223253279e-01  2.57919081884e-01 
+    CT2     CLA     1  3.71504765465e-01  1.62045623205e-01 
+   CT2A    CT2A     1  3.38541512893e-01  4.18400000000e-02 
+   CT2A     CT3     1  3.38541512893e-01  4.18400000000e-02 
+   CT2A      CY     1  3.46559601357e-01  1.13045454929e-01 
+   CT2A       N     1  3.34087019303e-01  4.18400000000e-03 
+   CT2A     NC2     1  3.34087019303e-01  1.87114168357e-01 
+   CT2A     NH1     1  3.07360057758e-01  1.87114168357e-01 
+   CT2A     NH2     1  3.34087019303e-01  1.87114168357e-01 
+   CT2A     NH3     1  3.34087019303e-01  1.87114168357e-01 
+   CT2A     NR1     1  3.34087019303e-01  1.87114168357e-01 
+   CT2A     NR2     1  3.34087019303e-01  1.87114168357e-01 
+   CT2A      NY     1  3.34087019303e-01  1.87114168357e-01 
+   CT2A       O     1  2.93996576986e-01  1.44938011577e-01 
+   CT2A      OC     1  3.20723538531e-01  1.44938011577e-01 
+   CT2A     OH1     1  3.26959829558e-01  1.63176000000e-01 
+   CT2A      OT     1  3.26799467788e-01  1.63176000000e-01 
+   CT2A     SOD     1  2.94954293108e-01  9.06104103511e-02 
+   CT2A       S     1  3.47450500075e-01  2.80671252536e-01 
+   CT2A      SM     1  3.45223253279e-01  2.57919081884e-01 
+   CT2A     CLA     1  3.71504765465e-01  1.62045623205e-01 
+    CT3     CT3     1  3.38541512893e-01  4.18400000000e-02 
+    CT3      CY     1  3.46559601357e-01  1.13045454929e-01 
+    CT3       N     1  3.34087019303e-01  4.18400000000e-03 
+    CT3     NC2     1  3.34087019303e-01  1.87114168357e-01 
+    CT3     NH1     1  3.07360057758e-01  1.87114168357e-01 
+    CT3     NH2     1  3.34087019303e-01  1.87114168357e-01 
+    CT3     NH3     1  3.34087019303e-01  1.87114168357e-01 
+    CT3     NR1     1  3.34087019303e-01  1.87114168357e-01 
+    CT3     NR2     1  3.34087019303e-01  1.87114168357e-01 
+    CT3      NY     1  3.34087019303e-01  1.87114168357e-01 
+    CT3       O     1  2.93996576986e-01  1.44938011577e-01 
+    CT3      OC     1  3.20723538531e-01  1.44938011577e-01 
+    CT3     OH1     1  3.26959829558e-01  1.63176000000e-01 
+    CT3      OT     1  3.26799467788e-01  1.63176000000e-01 
+    CT3     SOD     1  2.94954293108e-01  9.06104103511e-02 
+    CT3       S     1  3.47450500075e-01  2.80671252536e-01 
+    CT3      SM     1  3.45223253279e-01  2.57919081884e-01 
+    CT3     CLA     1  3.71504765465e-01  1.62045623205e-01 
+     CY       N     1  3.42105107766e-01  1.13045454929e-02 
+     CY     NH1     1  3.15378146222e-01  5.05554643535e-01 
+     CY       O     1  3.02014665450e-01  3.91600943002e-01 
+      N       N     1  3.29632525712e-01  4.18400000000e-04 
+      N     NC2     1  3.29632525712e-01  1.87114168357e-02 
+      N     NH1     1  3.02905564168e-01  1.87114168357e-02 
+      N     NH2     1  3.29632525712e-01  1.87114168357e-02 
+      N     NH3     1  3.29632525712e-01  1.87114168357e-02 
+      N     NR1     1  3.29632525712e-01  1.87114168357e-02 
+      N     NR2     1  3.29632525712e-01  1.87114168357e-02 
+      N      NY     1  3.29632525712e-01  1.87114168357e-02 
+      N       O     1  2.89542083396e-01  1.44938011577e-02 
+      N      OC     1  3.16269044940e-01  1.44938011577e-02 
+      N     OH1     1  3.22505335967e-01  1.63176000000e-02 
+      N      OT     1  3.22344974198e-01  1.63176000000e-02 
+      N     SOD     1  2.90499799518e-01  9.06104103511e-03 
+      N       S     1  3.42996006484e-01  2.80671252536e-02 
+      N      SM     1  3.40768759689e-01  2.57919081884e-02 
+      N     CLA     1  3.67050271874e-01  1.62045623205e-02 
+    NC2     NH1     1  3.02905564168e-01  8.36800000000e-01 
+    NC2       O     1  2.89542083396e-01  6.48182492821e-01 
+    NH1     NH1     1  2.76178602624e-01  8.36800000000e-01 
+    NH1     NH2     1  3.02905564168e-01  8.36800000000e-01 
+    NH1     NH3     1  3.02905564168e-01  8.36800000000e-01 
+    NH1     NR1     1  3.02905564168e-01  8.36800000000e-01 
+    NH1     NR2     1  3.02905564168e-01  8.36800000000e-01 
+    NH1      NY     1  3.02905564168e-01  8.36800000000e-01 
+    NH1       O     1  2.62815121851e-01  6.48182492821e-01 
+    NH1      OC     1  2.89542083396e-01  6.48182492821e-01 
+    NH1     OH1     1  2.95778374423e-01  7.29745256593e-01 
+    NH1      OT     1  2.95618012653e-01  7.29745256593e-01 
+    NH1     SOD     1  2.63772837973e-01  4.05222074029e-01 
+    NH1       S     1  3.16269044940e-01  1.25520000000e+00 
+    NH1      SM     1  3.14041798144e-01  1.15344919957e+00 
+    NH1     CLA     1  3.40323310330e-01  7.24690057887e-01 
+    NH2       O     1  2.89542083396e-01  6.48182492821e-01 
+    NH3       O     1  2.89542083396e-01  6.48182492821e-01 
+    NR1       O     1  2.89542083396e-01  6.48182492821e-01 
+    NR2       O     1  2.89542083396e-01  6.48182492821e-01 
+     NY       O     1  2.89542083396e-01  6.48182492821e-01 
+      O       O     1  2.49451641079e-01  5.02080000000e-01 
+      O      OC     1  2.76178602624e-01  5.02080000000e-01 
+      O     OH1     1  2.82414893650e-01  5.65258245152e-01 
+      O      OT     1  2.82254531881e-01  5.65258245152e-01 
+      O     SOD     1  2.50409357201e-01  3.13883668846e-01 
+      O       S     1  3.02905564168e-01  9.72273739232e-01 
+      O      SM     1  3.00678317372e-01  8.93457908130e-01 
+      O     CLA     1  3.26959829558e-01  5.61342505072e-01 
+
+[ angletypes ]
+; i	j	k	func	th0	Kth	s0	Kub
+     CA      CA      CA     5  1.2000000e+02  3.3472000e+02  2.4162000e-01  2.9288000e+04
+    CAI      CA      CA     5  1.2000000e+02  3.3472000e+02  2.4162000e-01  2.9288000e+04
+    CP1       N       C     5  1.1700000e+02  5.0208000e+02  0.0000000e+00  0.0000000e+00
+    CP2     CP1       C     5  1.1230000e+02  4.3513600e+02  0.0000000e+00  0.0000000e+00
+    CP2     CP2     CP1     5  1.0850000e+02  5.8576000e+02  0.0000000e+00  0.0000000e+00
+    CP3     CP2     CP2     5  1.0850000e+02  5.8576000e+02  0.0000000e+00  0.0000000e+00
+    CP3       N       C     5  1.1700000e+02  5.0208000e+02  0.0000000e+00  0.0000000e+00
+    CP3       N     CP1     5  1.1420000e+02  8.3680000e+02  0.0000000e+00  0.0000000e+00
+   CPH2     NR1    CPH1     5  1.0750000e+02  1.0878400e+03  0.0000000e+00  0.0000000e+00
+   CPH2     NR2    CPH1     5  1.0400000e+02  1.0878400e+03  0.0000000e+00  0.0000000e+00
+    CPT     CAI      CA     5  1.1320000e+02  4.1840000e+02  0.0000000e+00  0.0000000e+00
+    CPT     CPT     CAI     5  1.1000000e+02  4.1840000e+02  0.0000000e+00  0.0000000e+00
+    CPT      CY      CA     5  1.0640000e+02  7.1128000e+02  2.2610000e-01  2.0920000e+04
+    CPT      NY      CA     5  1.1200000e+02  7.1128000e+02  0.0000000e+00  0.0000000e+00
+    CT1     CT1       C     5  1.0800000e+02  4.3513600e+02  0.0000000e+00  0.0000000e+00
+    CT1     CT2      CA     5  1.0750000e+02  4.3346240e+02  0.0000000e+00  0.0000000e+00
+    CT1     CT2      CC     5  1.0800000e+02  4.3513600e+02  0.0000000e+00  0.0000000e+00
+    CT1     CT2    CPH1     5  1.1300000e+02  4.8827280e+02  0.0000000e+00  0.0000000e+00
+    CT1     CT2     CT1     5  1.1350000e+02  4.8827280e+02  2.5610000e-01  9.3386880e+03
+    CT1    CT2A      CC     5  1.0800000e+02  4.3513600e+02  0.0000000e+00  0.0000000e+00
+    CT1    CT2A     CT2     5  1.1350000e+02  4.8827280e+02  2.5610000e-01  9.3386880e+03
+    CT1    CT2A     HA2     5  1.1010000e+02  2.2175200e+02  2.1790000e-01  1.8853104e+04
+    CT1     NH1       C     5  1.2000000e+02  4.1840000e+02  0.0000000e+00  0.0000000e+00
+    CT2      CA      CA     5  1.2230000e+02  3.8325440e+02  0.0000000e+00  0.0000000e+00
+    CT2    CPH1    CPH1     5  1.3000000e+02  3.8325440e+02  0.0000000e+00  0.0000000e+00
+    CT2     CT1       C     5  1.0800000e+02  4.3513600e+02  0.0000000e+00  0.0000000e+00
+    CT2     CT1      CC     5  1.0800000e+02  4.3513600e+02  0.0000000e+00  0.0000000e+00
+    CT2     CT1     CT1     5  1.1100000e+02  4.4643280e+02  2.5610000e-01  6.6944000e+03
+    CT2     CT2      CC     5  1.0800000e+02  4.3513600e+02  0.0000000e+00  0.0000000e+00
+    CT2     CT2     CT1     5  1.1350000e+02  4.8827280e+02  2.5610000e-01  9.3386880e+03
+    CT2     CT2     CT2     5  1.1360000e+02  4.8827280e+02  2.5610000e-01  9.3386880e+03
+    CT2      CY      CA     5  1.2700000e+02  2.5104000e+02  0.0000000e+00  0.0000000e+00
+    CT2      CY     CPT     5  1.2670000e+02  2.5104000e+02  0.0000000e+00  0.0000000e+00
+    CT2     NC2       C     5  1.2000000e+02  5.2132640e+02  0.0000000e+00  0.0000000e+00
+    CT2     NH1       C     5  1.2000000e+02  4.1840000e+02  0.0000000e+00  0.0000000e+00
+   CT2A     CT1       C     5  1.0800000e+02  4.3513600e+02  0.0000000e+00  0.0000000e+00
+   CT2A     CT2      CC     5  1.0800000e+02  4.3513600e+02  0.0000000e+00  0.0000000e+00
+   CT2A     CT2     HA2     5  1.1010000e+02  2.2175200e+02  2.1790000e-01  1.8853104e+04
+    CT3     CT1       C     5  1.0800000e+02  4.3513600e+02  0.0000000e+00  0.0000000e+00
+    CT3     CT1     CT1     5  1.0850000e+02  4.4643280e+02  2.5610000e-01  6.6944000e+03
+    CT3     CT1     CT2     5  1.1400000e+02  4.4643280e+02  2.5610000e-01  6.6944000e+03
+    CT3     CT1     CT3     5  1.1400000e+02  4.4643280e+02  2.5610000e-01  6.6944000e+03
+    CT3     CT2     CT1     5  1.1350000e+02  4.8827280e+02  2.5610000e-01  9.3386880e+03
+    CT3       S     CT2     5  9.5000000e+01  2.8451200e+02  0.0000000e+00  0.0000000e+00
+     CY     CPT     CAI     5  1.3350000e+02  1.0878400e+03  0.0000000e+00  0.0000000e+00
+     CY     CPT     CPT     5  1.0800000e+02  7.1128000e+02  0.0000000e+00  0.0000000e+00
+     CY     CT2     CT1     5  1.1400000e+02  4.8827280e+02  0.0000000e+00  0.0000000e+00
+      H     NH1       C     5  1.2300000e+02  2.8451200e+02  0.0000000e+00  0.0000000e+00
+      H     NH1     CT1     5  1.1700000e+02  2.9288000e+02  0.0000000e+00  0.0000000e+00
+      H     NH1     CT2     5  1.1700000e+02  2.9288000e+02  0.0000000e+00  0.0000000e+00
+      H     NH2      CC     5  1.2000000e+02  4.1840000e+02  0.0000000e+00  0.0000000e+00
+      H     NH2       H     5  1.2000000e+02  1.9246400e+02  0.0000000e+00  0.0000000e+00
+      H     NR1    CPH1     5  1.2550000e+02  2.5104000e+02  2.1500000e-01  1.6736000e+04
+      H     NR1    CPH2     5  1.2700000e+02  2.5104000e+02  2.1400000e-01  1.6736000e+04
+      H      NY      CA     5  1.2600000e+02  2.3430400e+02  0.0000000e+00  0.0000000e+00
+      H      NY     CPT     5  1.2600000e+02  2.3430400e+02  0.0000000e+00  0.0000000e+00
+      H     OH1      CA     5  1.0800000e+02  5.4392000e+02  0.0000000e+00  0.0000000e+00
+      H     OH1     CT1     5  1.0600000e+02  4.8116000e+02  0.0000000e+00  0.0000000e+00
+      H     OH1     CT2     5  1.0600000e+02  4.8116000e+02  0.0000000e+00  0.0000000e+00
+    HA1     CT1     CT1     5  1.1010000e+02  2.8869600e+02  2.1790000e-01  1.8853104e+04
+    HA1     CT1     CT2     5  1.1010000e+02  2.8869600e+02  2.1790000e-01  1.8853104e+04
+    HA1     CT1     CT3     5  1.1010000e+02  2.8869600e+02  2.1790000e-01  1.8853104e+04
+    HA2     CP2     CP1     5  1.1010000e+02  2.7974224e+02  2.1790000e-01  1.8853104e+04
+    HA2     CP2     CP2     5  1.1010000e+02  2.2175200e+02  2.1790000e-01  1.8853104e+04
+    HA2     CP2     CP3     5  1.1010000e+02  2.2175200e+02  2.1790000e-01  1.8853104e+04
+    HA2     CP2     HA2     5  1.0900000e+02  2.9706400e+02  1.8020000e-01  4.5187200e+03
+    HA2     CP3     CP2     5  1.1010000e+02  2.2175200e+02  2.1790000e-01  1.8853104e+04
+    HA2     CP3     HA2     5  1.0900000e+02  2.9706400e+02  1.8020000e-01  4.5187200e+03
+    HA2     CT2      CA     5  1.0750000e+02  4.1254240e+02  0.0000000e+00  0.0000000e+00
+    HA2     CT2      CC     5  1.0950000e+02  2.7614400e+02  2.1630000e-01  2.5104000e+04
+    HA2     CT2    CPH1     5  1.0950000e+02  2.7974224e+02  0.0000000e+00  0.0000000e+00
+    HA2     CT2     CT1     5  1.1010000e+02  2.2175200e+02  2.1790000e-01  1.8853104e+04
+    HA2     CT2     CT2     5  1.1010000e+02  2.2175200e+02  2.1790000e-01  1.8853104e+04
+    HA2     CT2     CT3     5  1.1010000e+02  2.8953280e+02  2.1790000e-01  1.8853104e+04
+    HA2     CT2      CY     5  1.0950000e+02  4.6024000e+02  0.0000000e+00  0.0000000e+00
+    HA2     CT2     HA2     5  1.0900000e+02  2.9706400e+02  1.8020000e-01  4.5187200e+03
+    HA2    CT2A      CC     5  1.0950000e+02  2.7614400e+02  2.1630000e-01  2.5104000e+04
+    HA2    CT2A     CT2     5  1.1010000e+02  2.2175200e+02  2.1790000e-01  1.8853104e+04
+    HA2    CT2A     HA2     5  1.0900000e+02  2.9706400e+02  1.8020000e-01  4.5187200e+03
+    HA3     CT3     CT1     5  1.1010000e+02  2.7974224e+02  2.1790000e-01  1.8853104e+04
+    HA3     CT3     CT2     5  1.1010000e+02  2.8953280e+02  2.1790000e-01  1.8853104e+04
+    HA3     CT3     HA3     5  1.0840000e+02  2.9706400e+02  1.8020000e-01  4.5187200e+03
+    HB1     CP1       C     5  1.1200000e+02  4.1840000e+02  0.0000000e+00  0.0000000e+00
+    HB1     CP1     CP2     5  1.1800000e+02  2.9288000e+02  0.0000000e+00  0.0000000e+00
+    HB1     CT1       C     5  1.0950000e+02  4.1840000e+02  0.0000000e+00  0.0000000e+00
+    HB1     CT1      CC     5  1.0950000e+02  4.1840000e+02  0.0000000e+00  0.0000000e+00
+    HB1     CT1     CT1     5  1.1100000e+02  2.9288000e+02  0.0000000e+00  0.0000000e+00
+    HB1     CT1     CT2     5  1.1100000e+02  2.9288000e+02  0.0000000e+00  0.0000000e+00
+    HB1     CT1    CT2A     5  1.1100000e+02  2.9288000e+02  0.0000000e+00  0.0000000e+00
+    HB1     CT1     CT3     5  1.1100000e+02  2.9288000e+02  0.0000000e+00  0.0000000e+00
+    HB2     CT2       C     5  1.0950000e+02  4.1840000e+02  0.0000000e+00  0.0000000e+00
+    HB2     CT2     HB2     5  1.1500000e+02  3.0124800e+02  0.0000000e+00  0.0000000e+00
+     HC     NC2       C     5  1.2000000e+02  4.1003200e+02  0.0000000e+00  0.0000000e+00
+     HC     NC2     CT2     5  1.2000000e+02  3.3806720e+02  0.0000000e+00  0.0000000e+00
+     HC     NC2      HC     5  1.2000000e+02  2.0920000e+02  0.0000000e+00  0.0000000e+00
+     HC     NH3     CT1     5  1.0950000e+02  2.5104000e+02  2.0740000e-01  1.6736000e+04
+     HC     NH3     CT2     5  1.0950000e+02  2.5104000e+02  2.0740000e-01  1.6736000e+04
+     HC     NH3      HC     5  1.0950000e+02  3.6819200e+02  0.0000000e+00  0.0000000e+00
+     HP      CA      CA     5  1.2000000e+02  2.5104000e+02  2.1525000e-01  1.8409600e+04
+     HP      CA     CAI     5  1.2000000e+02  2.5104000e+02  2.1525000e-01  1.8409600e+04
+     HP      CA      CY     5  1.2500000e+02  2.6777600e+02  2.1730000e-01  2.0920000e+04
+     HP     CAI      CA     5  1.2000000e+02  2.5104000e+02  2.1525000e-01  1.8409600e+04
+     HP     CAI     CPT     5  1.2200000e+02  2.5104000e+02  2.1460000e-01  1.8409600e+04
+    HR3    CPH1    CPH1     5  1.3000000e+02  2.0920000e+02  2.2000000e-01  1.6736000e+04
+     HT      OT      HT     5  1.0452000e+02  4.6024000e+02  0.0000000e+00  0.0000000e+00
+      N       C     CT1     5  1.1250000e+02  1.6736000e+02  0.0000000e+00  0.0000000e+00
+      N     CP1       C     5  1.0820000e+02  4.1840000e+02  0.0000000e+00  0.0000000e+00
+      N     CP1     CP2     5  1.1080000e+02  5.8576000e+02  0.0000000e+00  0.0000000e+00
+      N     CP1     HB1     5  1.1200000e+02  4.0166400e+02  0.0000000e+00  0.0000000e+00
+      N     CP3     CP2     5  1.1050000e+02  5.8576000e+02  0.0000000e+00  0.0000000e+00
+      N     CP3     HA2     5  1.0800000e+02  4.0166400e+02  0.0000000e+00  0.0000000e+00
+    NC2       C     NC2     5  1.2000000e+02  3.3472000e+02  2.3100000e-01  5.8576000e+04
+    NC2     CT2     CT2     5  1.0750000e+02  5.6651360e+02  0.0000000e+00  0.0000000e+00
+    NC2     CT2     HA2     5  1.0750000e+02  4.7279200e+02  0.0000000e+00  0.0000000e+00
+    NH1       C     CP1     5  1.1650000e+02  6.6944000e+02  0.0000000e+00  0.0000000e+00
+    NH1       C     CT1     5  1.1650000e+02  6.6944000e+02  0.0000000e+00  0.0000000e+00
+    NH1       C     CT2     5  1.1650000e+02  6.6944000e+02  0.0000000e+00  0.0000000e+00
+    NH1     CT1       C     5  1.0700000e+02  4.1840000e+02  0.0000000e+00  0.0000000e+00
+    NH1     CT1      CC     5  1.0700000e+02  4.1840000e+02  0.0000000e+00  0.0000000e+00
+    NH1     CT1     CT1     5  1.1350000e+02  5.8576000e+02  0.0000000e+00  0.0000000e+00
+    NH1     CT1     CT2     5  1.1350000e+02  5.8576000e+02  0.0000000e+00  0.0000000e+00
+    NH1     CT1    CT2A     5  1.1350000e+02  5.8576000e+02  0.0000000e+00  0.0000000e+00
+    NH1     CT1     CT3     5  1.1350000e+02  5.8576000e+02  0.0000000e+00  0.0000000e+00
+    NH1     CT1     HB1     5  1.0800000e+02  4.0166400e+02  0.0000000e+00  0.0000000e+00
+    NH1     CT2       C     5  1.0700000e+02  4.1840000e+02  0.0000000e+00  0.0000000e+00
+    NH1     CT2     HB2     5  1.0800000e+02  4.0166400e+02  0.0000000e+00  0.0000000e+00
+    NH2      CC     CT2     5  1.1650000e+02  4.1840000e+02  2.4500000e-01  4.1840000e+04
+    NH3     CT1       C     5  1.1000000e+02  3.6568160e+02  0.0000000e+00  0.0000000e+00
+    NH3     CT1     CT2     5  1.1000000e+02  5.6651360e+02  0.0000000e+00  0.0000000e+00
+    NH3     CT1     HB1     5  1.0750000e+02  4.3095200e+02  0.0000000e+00  0.0000000e+00
+    NH3     CT2     CT2     5  1.1000000e+02  5.6651360e+02  0.0000000e+00  0.0000000e+00
+    NH3     CT2     HA2     5  1.0750000e+02  3.7656000e+02  2.1010000e-01  2.9288000e+04
+    NR1    CPH1    CPH1     5  1.0600000e+02  1.0878400e+03  0.0000000e+00  0.0000000e+00
+    NR1    CPH1     CT2     5  1.2400000e+02  3.8325440e+02  0.0000000e+00  0.0000000e+00
+    NR1    CPH2     HR1     5  1.2250000e+02  2.0920000e+02  2.1400000e-01  1.6736000e+04
+    NR2    CPH1    CPH1     5  1.1000000e+02  1.0878400e+03  0.0000000e+00  0.0000000e+00
+    NR2    CPH1     HR3     5  1.2000000e+02  2.0920000e+02  2.1400000e-01  1.6736000e+04
+    NR2    CPH2     HR1     5  1.2500000e+02  2.0920000e+02  2.1200000e-01  1.6736000e+04
+    NR2    CPH2     NR1     5  1.1250000e+02  1.0878400e+03  0.0000000e+00  0.0000000e+00
+     NY      CA      CY     5  1.1050000e+02  7.1128000e+02  2.2400000e-01  2.0920000e+04
+     NY      CA      HP     5  1.2500000e+02  2.6777600e+02  2.1770000e-01  2.0920000e+04
+     NY     CPT     CAI     5  1.2950000e+02  1.0878400e+03  0.0000000e+00  0.0000000e+00
+     NY     CPT     CPT     5  1.0740000e+02  7.9496000e+02  0.0000000e+00  0.0000000e+00
+      O       C     CP1     5  1.1800000e+02  6.6944000e+02  0.0000000e+00  0.0000000e+00
+      O       C     CT1     5  1.2100000e+02  6.6944000e+02  0.0000000e+00  0.0000000e+00
+      O       C     CT2     5  1.2100000e+02  6.6944000e+02  0.0000000e+00  0.0000000e+00
+      O       C       N     5  1.2250000e+02  6.6944000e+02  0.0000000e+00  0.0000000e+00
+      O       C     NH1     5  1.2250000e+02  6.6944000e+02  0.0000000e+00  0.0000000e+00
+      O      CC     CT2     5  1.2100000e+02  1.2552000e+02  2.4400000e-01  4.1840000e+04
+      O      CC     NH2     5  1.2250000e+02  6.2760000e+02  2.3700000e-01  4.1840000e+04
+     OC      CC     CT1     5  1.1800000e+02  3.3472000e+02  2.3880000e-01  4.1840000e+04
+     OC      CC     CT2     5  1.1800000e+02  3.3472000e+02  2.3880000e-01  4.1840000e+04
+     OC      CC    CT2A     5  1.1800000e+02  3.3472000e+02  2.3880000e-01  4.1840000e+04
+     OC      CC      OC     5  1.2400000e+02  8.3680000e+02  2.2250000e-01  5.8576000e+04
+    OH1      CA      CA     5  1.2000000e+02  3.7823360e+02  0.0000000e+00  0.0000000e+00
+    OH1     CT1     CT1     5  1.1010000e+02  6.3345760e+02  0.0000000e+00  0.0000000e+00
+    OH1     CT1     CT3     5  1.1010000e+02  6.3345760e+02  0.0000000e+00  0.0000000e+00
+    OH1     CT1     HA1     5  1.0889000e+02  3.8409120e+02  0.0000000e+00  0.0000000e+00
+    OH1     CT2     CT1     5  1.1010000e+02  6.3345760e+02  0.0000000e+00  0.0000000e+00
+    OH1     CT2     HA2     5  1.0889000e+02  3.8409120e+02  0.0000000e+00  0.0000000e+00
+      S     CT2     CT2     5  1.1450000e+02  4.8534400e+02  0.0000000e+00  0.0000000e+00
+      S     CT2     HA2     5  1.1130000e+02  3.8576480e+02  0.0000000e+00  0.0000000e+00
+      S     CT3     HA3     5  1.1130000e+02  3.8576480e+02  0.0000000e+00  0.0000000e+00
+     SM     CT2     CT1     5  1.1250000e+02  4.8534400e+02  0.0000000e+00  0.0000000e+00
+     SM     CT2     HA2     5  1.1100000e+02  3.1798400e+02  0.0000000e+00  0.0000000e+00
+     SM      SM     CT2     5  1.0330000e+02  6.0668000e+02  0.0000000e+00  0.0000000e+00
+
+[ dihedraltypes ]
+; i	j	k	l	func	phi0	Kphi	mult
+      C     CT1     CT1     CT2     9  1.800000e+02  4.184000e-01      1
+      C     CT1     CT1     CT2     9  1.800000e+02  2.175680e+00      2
+      C     CT1     CT1     CT2     9  1.800000e+02  1.213360e+00      3
+      C     CT1     CT1     CT3     9  1.800000e+02  5.857600e-01      1
+      C     CT1     CT1     CT3     9  1.800000e+02  1.087840e+00      2
+      C     CT1     CT1     CT3     9  1.800000e+02  1.380720e+00      3
+      C     CT1     CT1     OH1     9  1.800000e+02  3.305360e+00      1
+      C     CT1     CT1     OH1     9  1.800000e+02  1.631760e+00      2
+      C     CT1     CT1     OH1     9  1.800000e+02  4.142160e+00      3
+      C     CT1     CT2      CA     9  1.800000e+02  5.355520e+00      1
+      C     CT1     CT2      CA     9  1.800000e+02  3.932960e+00      2
+      C     CT1     CT2      CA     9  1.800000e+02  6.568880e+00      3
+      C     CT1     CT2      CC     9  1.800000e+02  5.899440e+00      1
+      C     CT1     CT2      CC     9  1.800000e+02  5.397360e+00      2
+      C     CT1     CT2      CC     9  1.800000e+02  2.468560e+00      3
+      C     CT1     CT2    CPH1     9  1.800000e+02  7.531200e-01      1
+      C     CT1     CT2    CPH1     9  1.800000e+02  2.677760e+00      2
+      C     CT1     CT2    CPH1     9  1.800000e+02  3.640080e+00      3
+      C     CT1     CT2     CT1     9  1.800000e+02  1.338880e+00      1
+      C     CT1     CT2     CT1     9  1.800000e+02  2.552240e+00      2
+      C     CT1     CT2     CT1     9  1.800000e+02  3.012480e+00      3
+      C     CT1     CT2     CT2     9  1.800000e+02  1.464400e+00      1
+      C     CT1     CT2     CT2     9  1.800000e+02  1.757280e+00      2
+      C     CT1     CT2     CT2     9  1.800000e+02  7.991440e+00      3
+      C     CT1     CT2      CY     9  1.800000e+02  4.560560e+00      1
+      C     CT1     CT2      CY     9  1.800000e+02  2.092000e+00      2
+      C     CT1     CT2      CY     9  1.800000e+02  4.895280e+00      3
+      C     CT1     CT2     OH1     9  1.800000e+02  2.719600e+00      1
+      C     CT1     CT2     OH1     9  1.800000e+02  1.046000e+00      2
+      C     CT1     CT2     OH1     9  1.800000e+02  4.895280e+00      3
+      C     CT1    CT2A      CC     9  1.800000e+02  6.736240e+00      1
+      C     CT1    CT2A      CC     9  1.800000e+02  5.397360e+00      2
+      C     CT1    CT2A      CC     9  1.800000e+02  2.468560e+00      3
+      C     CT1    CT2A     CT2     9  0.000000e+00  4.602400e-01      1
+      C     CT1    CT2A     CT2     9  1.800000e+02  4.100320e+00      2
+      C     CT1    CT2A     CT2     9  1.800000e+02  6.694400e+00      3
+      C     CT1     NH1       C     9  1.800000e+02  8.368000e-01      1
+      C     CT2     NH1       C     9  1.800000e+02  8.368000e-01      1
+      C       N     CP1       C     9  0.000000e+00  3.347200e+00      3
+      C     NH1     CT1    CT2A     9  0.000000e+00  7.531200e+00      1
+     CA      CA      CA      CA     9  1.800000e+02  1.297040e+01      2
+     CA      CA     CT2     CT1     9  0.000000e+00  4.476880e+00      1
+     CA      CA     CT2     CT1     9  1.800000e+02  1.004160e+00      2
+     CA      CA     CT2     CT1     9  1.800000e+02  7.112800e-01      3
+     CA     CT2     CT1     NH1     9  1.800000e+02  2.175680e+00      1
+     CA     CT2     CT1     NH1     9  1.800000e+02  2.594080e+00      2
+     CA     CT2     CT1     NH1     9  0.000000e+00  6.610720e+00      3
+     CA      CY     CPT     CAI     9  1.800000e+02  1.255200e+01      2
+     CA      CY     CT2     CT1     9  0.000000e+00  1.255200e-01      1
+     CA      CY     CT2     CT1     9  0.000000e+00  2.301200e+00      2
+     CA      CY     CT2     CT1     9  1.800000e+02  1.631760e+00      3
+     CA      NY     CPT     CAI     9  1.800000e+02  1.255200e+01      2
+    CAI      CA      CA     CAI     9  1.800000e+02  1.297040e+01      2
+    CAI     CPT     CPT     CAI     9  1.800000e+02  1.255200e+01      2
+     CC     CT1     NH1       C     9  1.800000e+02  8.368000e-01      1
+     CC     CT2     CT1     NH1     9  1.800000e+02  1.171520e+00      1
+     CC     CT2     CT1     NH1     9  1.800000e+02  2.092000e+00      2
+     CC     CT2     CT1     NH1     9  0.000000e+00  1.589920e+00      3
+     CC     CT2     CT2     CT1     9  1.800000e+02  7.698560e+00      1
+     CC     CT2     CT2     CT1     9  1.800000e+02  3.514560e+00      2
+     CC     CT2     CT2     CT1     9  1.800000e+02  1.631760e+00      3
+     CC     CT2    CT2A     CT1     9  1.800000e+02  0.000000e+00      1
+     CC     CT2    CT2A     CT1     9  1.800000e+02  1.589920e+00      2
+     CC     CT2    CT2A     CT1     9  1.800000e+02  2.468560e+00      3
+     CC    CT2A     CT1     NH1     9  1.800000e+02  2.845120e+00      1
+     CC    CT2A     CT1     NH1     9  1.800000e+02  4.184000e-01      2
+     CC    CT2A     CT1     NH1     9  0.000000e+00  1.589920e+00      3
+    CP2     CP1       N       C     9  0.000000e+00  3.347200e+00      3
+    CP2     CP3       N       C     9  1.800000e+02  0.000000e+00      3
+    CP2     CP3       N     CP1     9  0.000000e+00  4.184000e-01      3
+    CP3       N     CP1       C     9  0.000000e+00  4.184000e-01      3
+    CP3       N     CP1     CP2     9  0.000000e+00  4.184000e-01      3
+   CPH1    CPH1     CT2     CT1     9  0.000000e+00  7.280160e+00      1
+   CPH1    CPH1     CT2     CT1     9  0.000000e+00  6.276000e-01      2
+   CPH1    CPH1     CT2     CT1     9  1.800000e+02  3.221680e+00      3
+   CPH1     CT2     CT1     NH1     9  0.000000e+00  0.000000e+00      1
+   CPH1     CT2     CT1     NH1     9  1.800000e+02  0.000000e+00      2
+   CPH1     CT2     CT1     NH1     9  0.000000e+00  3.765600e+00      3
+   CPH2     NR1    CPH1    CPH1     9  1.800000e+02  5.857600e+01      2
+   CPH2     NR2    CPH1    CPH1     9  1.800000e+02  5.857600e+01      2
+    CPT     CAI      CA      CA     9  1.800000e+02  1.255200e+01      2
+    CPT     CPT     CAI      CA     9  1.800000e+02  1.255200e+01      2
+    CPT     CPT      CY      CA     9  1.800000e+02  2.092000e+01      2
+    CPT     CPT      NY      CA     9  1.800000e+02  2.719600e+01      2
+    CPT      CY     CT2     CT1     9  1.800000e+02  1.506240e+00      1
+    CPT      CY     CT2     CT1     9  0.000000e+00  2.092000e-01      2
+    CPT      CY     CT2     CT1     9  1.800000e+02  7.949600e-01      3
+    CT1       C       N     CP1     9  1.800000e+02  1.150600e+01      2
+    CT1       C       N     CP1     9  0.000000e+00  1.255200e+00      4
+    CT1       C       N     CP3     9  1.800000e+02  1.150600e+01      2
+    CT1       C       N     CP3     9  0.000000e+00  1.255200e+00      4
+    CT1       C     NH1     CT1     9  0.000000e+00  6.694400e+00      1
+    CT1       C     NH1     CT1     9  1.800000e+02  1.046000e+01      2
+    CT1     CT1     CT2     CT3     9  1.800000e+02  1.589920e+00      1
+    CT1     CT1     CT2     CT3     9  1.800000e+02  5.439200e-01      2
+    CT1     CT1     CT2     CT3     9  1.800000e+02  1.213360e+00      3
+    CT1     CT1     CT2     HA2     9  0.000000e+00  8.368000e-01      3
+    CT1     CT1     CT3     HA3     9  0.000000e+00  8.368000e-01      3
+    CT1     CT1     NH1       C     9  0.000000e+00  7.531200e+00      1
+    CT1     CT1     OH1       H     9  0.000000e+00  7.531200e-01      1
+    CT1     CT1     OH1       H     9  0.000000e+00  2.510400e-01      2
+    CT1     CT1     OH1       H     9  0.000000e+00  1.046000e+00      3
+    CT1     CT2      CC     NH2     9  1.800000e+02  2.594080e+00      1
+    CT1     CT2      CC     NH2     9  1.800000e+02  2.761440e+00      2
+    CT1     CT2      CC     NH2     9  1.800000e+02  3.012480e+00      3
+    CT1     CT2      CC       O     9  1.800000e+02  1.757280e+00      1
+    CT1     CT2      CC       O     9  1.800000e+02  6.276000e-01      2
+    CT1     CT2      CC       O     9  1.800000e+02  3.974800e+00      3
+    CT1     CT2    CPH1     NR1     9  0.000000e+00  6.234160e+00      1
+    CT1     CT2    CPH1     NR1     9  1.800000e+02  3.765600e-01      2
+    CT1     CT2    CPH1     NR1     9  1.800000e+02  3.305360e+00      3
+    CT1     CT2     CT1     CT3     9  0.000000e+00  2.092000e-01      1
+    CT1     CT2     CT1     CT3     9  1.800000e+02  4.184000e-01      2
+    CT1     CT2     CT1     CT3     9  1.800000e+02  4.184000e-02      3
+    CT1     CT2     CT1     HA1     9  0.000000e+00  8.368000e-01      3
+    CT1     CT2     CT1     NH1     9  1.800000e+02  2.008320e+00      1
+    CT1     CT2     CT1     NH1     9  1.800000e+02  1.757280e+00      2
+    CT1     CT2     CT1     NH1     9  0.000000e+00  2.719600e+00      3
+    CT1     CT2     CT2     CT2     9  1.800000e+02  2.635920e+00      1
+    CT1     CT2     CT2     CT2     9  0.000000e+00  4.184000e-02      2
+    CT1     CT2     CT2     CT2     9  0.000000e+00  6.276000e-01      3
+    CT1     CT2     CT2     HA2     9  0.000000e+00  7.949600e-01      3
+    CT1     CT2     CT2       S     9  1.800000e+02  5.857600e-01      1
+    CT1     CT2     CT2       S     9  0.000000e+00  2.259360e+00      2
+    CT1     CT2     CT2       S     9  0.000000e+00  2.886960e+00      3
+    CT1     CT2     CT3     HA3     9  0.000000e+00  6.694400e-01      3
+    CT1     CT2     OH1       H     9  0.000000e+00  8.368000e-02      1
+    CT1     CT2     OH1       H     9  0.000000e+00  2.343040e+00      2
+    CT1     CT2     OH1       H     9  0.000000e+00  2.050160e+00      3
+    CT1    CT2A      CC      OC     9  0.000000e+00  3.514560e+00      1
+    CT1    CT2A      CC      OC     9  1.800000e+02  4.100320e+00      2
+    CT1    CT2A      CC      OC     9  0.000000e+00  6.108640e+00      3
+    CT1    CT2A     CT2     HA2     9  0.000000e+00  7.949600e-01      3
+    CT1     NH1       C     CP1     9  0.000000e+00  6.694400e+00      1
+    CT1     NH1       C     CP1     9  1.800000e+02  1.046000e+01      2
+    CT2       C     NH1     CT1     9  0.000000e+00  6.694400e+00      1
+    CT2       C     NH1     CT1     9  1.800000e+02  1.046000e+01      2
+    CT2      CA      CA      CA     9  1.800000e+02  1.297040e+01      2
+    CT2    CPH1     NR1    CPH2     9  1.800000e+02  1.255200e+01      2
+    CT2     CT1     CT1     NH1     9  1.800000e+02  5.020800e-01      1
+    CT2     CT1     CT1     NH1     9  1.800000e+02  1.506240e+00      2
+    CT2     CT1     CT1     NH1     9  0.000000e+00  1.715440e+00      3
+    CT2     CT1     NH1       C     9  0.000000e+00  7.531200e+00      1
+    CT2     CT2      CC     NH2     9  1.800000e+02  2.092000e-01      6
+    CT2     CT2      CC       O     9  1.800000e+02  2.092000e-01      6
+    CT2     CT2     CT1     NH1     9  1.800000e+02  3.681920e+00      1
+    CT2     CT2     CT1     NH1     9  1.800000e+02  0.000000e+00      2
+    CT2     CT2     CT1     NH1     9  0.000000e+00  7.949600e+00      3
+    CT2     CT2     CT2     CT2     9  1.800000e+02  4.184000e-01      2
+    CT2     CT2     CT2     CT2     9  0.000000e+00  6.276000e-01      4
+    CT2     CT2     CT2     CT2     9  1.800000e+02  4.184000e-01      6
+    CT2     CT2     CT2     HA2     9  0.000000e+00  7.949600e-01      3
+    CT2     CT2     CT2     NC2     9  0.000000e+00  7.949600e-01      3
+    CT2     CT2     CT2     NH3     9  0.000000e+00  7.949600e-01      3
+    CT2     CT2     NC2       C     9  1.800000e+02  0.000000e+00      6
+    CT2     CT2     NC2      HC     9  1.800000e+02  0.000000e+00      6
+    CT2     CT2     NH3      HC     9  0.000000e+00  4.184000e-01      3
+    CT2    CT2A     CT1     NH1     9  0.000000e+00  1.255200e+00      1
+    CT2    CT2A     CT1     NH1     9  0.000000e+00  1.464400e+00      2
+    CT2    CT2A     CT1     NH1     9  0.000000e+00  7.363840e+00      3
+    CT2      CY     CPT     CAI     9  1.800000e+02  1.046000e+01      2
+    CT2      CY     CPT     CPT     9  1.800000e+02  1.255200e+01      2
+    CT2     NC2       C     NC2     9  1.800000e+02  9.414000e+00      2
+    CT2     NH1       C     CP1     9  0.000000e+00  6.694400e+00      1
+    CT2     NH1       C     CP1     9  1.800000e+02  1.046000e+01      2
+    CT2     NH1       C     CT1     9  0.000000e+00  6.694400e+00      1
+    CT2     NH1       C     CT1     9  1.800000e+02  1.046000e+01      2
+    CT2      SM      SM     CT2     9  0.000000e+00  4.184000e+00      1
+    CT2      SM      SM     CT2     9  0.000000e+00  1.715440e+01      2
+    CT2      SM      SM     CT2     9  0.000000e+00  3.765600e+00      3
+   CT2A     CT1       C     NH1     9  0.000000e+00  0.000000e+00      1
+   CT2A     CT1       C       O     9  0.000000e+00  5.857600e+00      1
+    CT3     CT1     CT1     NH1     9  0.000000e+00  7.531200e-01      1
+    CT3     CT1     CT1     NH1     9  0.000000e+00  2.510400e-01      2
+    CT3     CT1     CT1     NH1     9  0.000000e+00  2.468560e+00      3
+    CT3     CT1     CT2     CT3     9  0.000000e+00  8.368000e-01      3
+    CT3     CT1     CT2     HA2     9  0.000000e+00  8.368000e-01      3
+    CT3     CT1     CT3     HA3     9  0.000000e+00  8.368000e-01      3
+    CT3     CT1     NH1       C     9  0.000000e+00  7.531200e+00      1
+    CT3       S     CT2     CT2     9  1.800000e+02  1.004160e+00      1
+    CT3       S     CT2     CT2     9  0.000000e+00  1.548080e+00      3
+     CY      CA      NY     CPT     9  1.800000e+02  2.510400e+01      2
+     CY     CPT     CAI      CA     9  1.800000e+02  1.673600e+01      2
+     CY     CPT     CPT     CAI     9  1.800000e+02  1.673600e+01      2
+     CY     CT2     CT1     NH1     9  1.800000e+02  1.213360e+00      1
+     CY     CT2     CT1     NH1     9  1.800000e+02  2.761440e+00      2
+     CY     CT2     CT1     NH1     9  0.000000e+00  4.895280e+00      3
+      H     NH1       C     CP1     9  1.800000e+02  1.046000e+01      2
+      H     NH1       C     CT1     9  1.800000e+02  1.046000e+01      2
+      H     NH1       C     CT2     9  1.800000e+02  1.046000e+01      2
+      H     NH1     CT1       C     9  0.000000e+00  0.000000e+00      1
+      H     NH1     CT1      CC     9  0.000000e+00  0.000000e+00      1
+      H     NH1     CT1     CT1     9  0.000000e+00  0.000000e+00      1
+      H     NH1     CT1     CT2     9  0.000000e+00  0.000000e+00      1
+      H     NH1     CT1    CT2A     9  0.000000e+00  0.000000e+00      1
+      H     NH1     CT1     CT3     9  0.000000e+00  0.000000e+00      1
+      H     NH1     CT2       C     9  0.000000e+00  0.000000e+00      1
+      H     NH2      CC     CT2     9  1.800000e+02  5.857600e+00      2
+      H     NR1    CPH1    CPH1     9  1.800000e+02  4.184000e+00      2
+      H     NR1    CPH1     CT2     9  1.800000e+02  4.184000e+00      2
+      H      NY      CA      CY     9  1.800000e+02  2.092000e-01      2
+      H      NY     CPT     CAI     9  1.800000e+02  8.368000e-01      2
+      H      NY     CPT     CPT     9  1.800000e+02  3.556400e+00      2
+      H     OH1      CA      CA     9  1.800000e+02  4.142160e+00      2
+      H     OH1     CT1     CT3     9  0.000000e+00  5.564720e+00      1
+      H     OH1     CT1     CT3     9  0.000000e+00  7.531200e-01      2
+      H     OH1     CT1     CT3     9  0.000000e+00  1.338880e+00      3
+    HA1     CT1     CT1       C     9  0.000000e+00  8.368000e-01      3
+    HA1     CT1     CT2     CT3     9  0.000000e+00  8.368000e-01      3
+    HA1     CT1     CT2     HA2     9  0.000000e+00  8.368000e-01      3
+    HA1     CT1     CT3     HA3     9  0.000000e+00  8.368000e-01      3
+    HA1     CT1     OH1       H     9  0.000000e+00  5.857600e-01      3
+    HA2     CP3       N       C     9  1.800000e+02  0.000000e+00      3
+    HA2     CP3       N     CP1     9  0.000000e+00  4.184000e-01      3
+    HA2     CT2      CA      CA     9  0.000000e+00  0.000000e+00      6
+    HA2     CT2      CC      OC     9  1.800000e+02  2.092000e-01      6
+    HA2     CT2    CPH1    CPH1     9  0.000000e+00  0.000000e+00      3
+    HA2     CT2     CT1       C     9  0.000000e+00  8.368000e-01      3
+    HA2     CT2     CT2      CC     9  0.000000e+00  7.949600e-01      3
+    HA2     CT2     CT2     HA2     9  0.000000e+00  7.949600e-01      3
+    HA2     CT2     CT2     NC2     9  0.000000e+00  7.949600e-01      3
+    HA2     CT2     CT2     NH3     9  0.000000e+00  7.949600e-01      3
+    HA2     CT2     CT3     HA3     9  0.000000e+00  6.694400e-01      3
+    HA2     CT2      CY      CA     9  0.000000e+00  4.184000e-02      3
+    HA2     CT2      CY     CPT     9  0.000000e+00  8.368000e-01      3
+    HA2     CT2     NC2       C     9  1.800000e+02  0.000000e+00      6
+    HA2     CT2     NC2      HC     9  1.800000e+02  0.000000e+00      6
+    HA2     CT2     NH3      HC     9  0.000000e+00  4.184000e-01      3
+    HA2     CT2     OH1       H     9  0.000000e+00  5.857600e-01      3
+    HA2     CT2       S     CT3     9  0.000000e+00  1.171520e+00      3
+    HA2    CT2A      CC      OC     9  1.800000e+02  2.092000e-01      6
+    HA2    CT2A     CT1       C     9  0.000000e+00  8.368000e-01      3
+    HA2    CT2A     CT2      CC     9  0.000000e+00  7.949600e-01      3
+    HA2    CT2A     CT2     HA2     9  0.000000e+00  7.949600e-01      3
+    HA3     CT3     CT1     CT2     9  0.000000e+00  8.368000e-01      3
+    HA3     CT3       S     CT2     9  0.000000e+00  1.171520e+00      3
+    HB1     CP1       N       C     9  0.000000e+00  3.347200e+00      3
+    HB1     CP1       N     CP3     9  0.000000e+00  4.184000e-01      3
+    HB1     CT1     CT1     CT2     9  0.000000e+00  8.368000e-01      3
+    HB1     CT1     CT1     CT3     9  0.000000e+00  8.368000e-01      3
+    HB1     CT1     CT1     HA1     9  0.000000e+00  8.368000e-01      3
+    HB1     CT1     CT1     OH1     9  0.000000e+00  8.368000e-01      3
+    HB1     CT1     CT2      CA     9  0.000000e+00  8.368000e-01      3
+    HB1     CT1     CT2      CC     9  0.000000e+00  8.368000e-01      3
+    HB1     CT1     CT2    CPH1     9  0.000000e+00  8.368000e-01      3
+    HB1     CT1     CT2     CT1     9  0.000000e+00  8.368000e-01      3
+    HB1     CT1     CT2     CT2     9  0.000000e+00  8.368000e-01      3
+    HB1     CT1     CT2      CY     9  0.000000e+00  8.368000e-01      3
+    HB1     CT1     CT2     HA2     9  0.000000e+00  8.368000e-01      3
+    HB1     CT1     CT2     OH1     9  0.000000e+00  8.368000e-01      3
+    HB1     CT1    CT2A      CC     9  0.000000e+00  8.368000e-01      3
+    HB1     CT1    CT2A     CT2     9  0.000000e+00  8.368000e-01      3
+    HB1     CT1    CT2A     HA2     9  0.000000e+00  8.368000e-01      3
+    HB1     CT1     NH1       C     9  0.000000e+00  0.000000e+00      1
+    HB1     CT1     NH1       H     9  0.000000e+00  0.000000e+00      1
+    HB2     CT2     NH1       C     9  0.000000e+00  0.000000e+00      1
+    HB2     CT2     NH1       H     9  0.000000e+00  0.000000e+00      1
+     HP      CA      CA      CA     9  1.800000e+02  1.757280e+01      2
+     HP      CA      CA     CAI     9  1.800000e+02  1.757280e+01      2
+     HP      CA      CA     CT2     9  1.800000e+02  1.757280e+01      2
+     HP      CA      CA      HP     9  1.800000e+02  1.004160e+01      2
+     HP      CA     CAI     CPT     9  1.800000e+02  1.255200e+01      2
+     HP      CA      CY     CPT     9  1.800000e+02  1.171520e+01      2
+     HP      CA      CY     CT2     9  1.800000e+02  5.020800e+00      2
+     HP      CA      NY     CPT     9  1.800000e+02  1.087840e+01      2
+     HP      CA      NY       H     9  1.800000e+02  1.673600e+00      2
+     HP     CAI      CA      CA     9  1.800000e+02  1.757280e+01      2
+     HP     CAI      CA      HP     9  1.800000e+02  1.004160e+01      2
+     HP     CAI     CPT     CPT     9  1.800000e+02  1.255200e+01      2
+     HP     CAI     CPT      CY     9  1.800000e+02  1.673600e+01      2
+    HR1    CPH2     NR1    CPH1     9  1.800000e+02  1.255200e+01      2
+    HR1    CPH2     NR1       H     9  1.800000e+02  4.184000e+00      2
+    HR1    CPH2     NR2    CPH1     9  1.800000e+02  1.255200e+01      2
+    HR3    CPH1    CPH1     CT2     9  1.800000e+02  8.368000e+00      2
+    HR3    CPH1     NR2    CPH2     9  1.800000e+02  1.255200e+01      2
+      N       C     CT1     CT1     9  0.000000e+00  0.000000e+00      1
+      N       C     CT1     HB1     9  0.000000e+00  0.000000e+00      1
+    NC2       C     NC2      HC     9  1.800000e+02  9.414000e+00      2
+    NH1       C     CP1     CP2     9  0.000000e+00  1.673600e+00      1
+    NH1       C     CP1     CP2     9  0.000000e+00  2.510400e+00      2
+    NH1       C     CP1     HB1     9  1.800000e+02  1.673600e+00      1
+    NH1       C     CP1     HB1     9  0.000000e+00  2.510400e+00      2
+    NH1       C     CP1       N     9  0.000000e+00  1.255200e+00      1
+    NH1       C     CP1       N     9  0.000000e+00 -1.255200e+00      4
+    NH1       C     CT1     CT1     9  0.000000e+00  0.000000e+00      1
+    NH1       C     CT1     CT2     9  0.000000e+00  0.000000e+00      1
+    NH1       C     CT1     CT3     9  0.000000e+00  0.000000e+00      1
+    NH1       C     CT1     HB1     9  0.000000e+00  0.000000e+00      1
+    NH1       C     CT1     NH1     9  0.000000e+00  2.510400e+00      1
+    NH1       C     CT2     HB2     9  0.000000e+00  0.000000e+00      1
+    NH1       C     CT2     NH1     9  0.000000e+00  2.510400e+00      1
+    NH1     CT1       C       N     9  0.000000e+00  1.673600e+00      1
+    NH1     CT1     CT1     HA1     9  0.000000e+00  8.368000e-01      3
+    NH1     CT1     CT1     OH1     9  0.000000e+00  3.765600e-01      1
+    NH1     CT1     CT1     OH1     9  1.800000e+02  7.949600e-01      2
+    NH1     CT1     CT1     OH1     9  0.000000e+00  7.112800e-01      3
+    NH1     CT1     CT2     HA2     9  0.000000e+00  8.368000e-01      3
+    NH1     CT1     CT2     OH1     9  1.800000e+02  7.531200e-01      1
+    NH1     CT1     CT2     OH1     9  1.800000e+02  7.949600e-01      2
+    NH1     CT1     CT2     OH1     9  0.000000e+00  6.108640e+00      3
+    NH1     CT1    CT2A     HA2     9  0.000000e+00  8.368000e-01      3
+    NH2      CC     CT2     HA2     9  1.800000e+02  0.000000e+00      3
+    NH3     CT1       C     NH1     9  0.000000e+00  2.510400e+00      1
+    NR1    CPH1    CPH1     HR3     9  1.800000e+02  1.255200e+01      2
+    NR1    CPH1     CT2     HA2     9  0.000000e+00  7.949600e-01      3
+    NR1    CPH2     NR2    CPH1     9  1.800000e+02  5.857600e+01      2
+    NR2    CPH1    CPH1     CT2     9  1.800000e+02  1.255200e+01      2
+    NR2    CPH1    CPH1     NR1     9  1.800000e+02  5.857600e+01      2
+    NR2    CPH2     NR1    CPH1     9  1.800000e+02  5.857600e+01      2
+    NR2    CPH2     NR1       H     9  1.800000e+02  4.184000e+00      2
+     NY      CA      CY     CPT     9  1.800000e+02  2.092000e+01      2
+     NY      CA      CY     CT2     9  1.800000e+02  1.046000e+01      2
+     NY     CPT     CAI      CA     9  1.800000e+02  1.255200e+01      2
+     NY     CPT     CAI      HP     9  1.800000e+02  1.255200e+01      2
+     NY     CPT     CPT     CAI     9  1.800000e+02  1.673600e+01      2
+     NY     CPT     CPT      CY     9  1.800000e+02  2.719600e+01      2
+      O       C     CP1     CP2     9  1.800000e+02  1.673600e+00      1
+      O       C     CP1     CP2     9  0.000000e+00  2.510400e+00      2
+      O       C     CP1     HB1     9  0.000000e+00  1.673600e+00      1
+      O       C     CP1     HB1     9  0.000000e+00  2.510400e+00      2
+      O       C     CP1       N     9  0.000000e+00 -1.255200e+00      4
+      O       C     CT1     CT1     9  0.000000e+00  5.857600e+00      1
+      O       C     CT1     CT2     9  0.000000e+00  5.857600e+00      1
+      O       C     CT1     CT3     9  0.000000e+00  5.857600e+00      1
+      O       C     CT1     HB1     9  0.000000e+00  0.000000e+00      1
+      O       C     CT1     NH1     9  0.000000e+00  0.000000e+00      1
+      O       C     CT1     NH3     9  0.000000e+00  0.000000e+00      1
+      O       C     CT2     HB2     9  0.000000e+00  0.000000e+00      1
+      O       C     CT2     NH1     9  0.000000e+00  0.000000e+00      1
+      O       C       N     CP1     9  1.800000e+02  1.150600e+01      2
+      O       C       N     CP1     9  0.000000e+00  1.255200e+00      4
+      O       C       N     CP3     9  1.800000e+02  1.150600e+01      2
+      O       C       N     CP3     9  0.000000e+00  1.255200e+00      4
+      O       C     NH1     CT1     9  1.800000e+02  1.046000e+01      2
+      O       C     NH1     CT2     9  1.800000e+02  1.046000e+01      2
+      O       C     NH1       H     9  1.800000e+02  1.046000e+01      2
+      O      CC     CT2     HA2     9  1.800000e+02  0.000000e+00      3
+      O      CC     NH2       H     9  1.800000e+02  5.857600e+00      2
+    OH1      CA      CA      CA     9  1.800000e+02  1.297040e+01      2
+    OH1      CA      CA      HP     9  1.800000e+02  1.757280e+01      2
+    OH1     CT1     CT3     HA3     9  0.000000e+00  8.368000e-01      3
+      S     CT2     CT2     HA2     9  0.000000e+00  4.184000e-02      3
+     SM     CT2     CT1       C     9  0.000000e+00  9.748720e-01      1
+     SM     CT2     CT1       C     9  0.000000e+00 -2.092000e-02      2
+     SM     CT2     CT1       C     9  0.000000e+00  6.234160e-01      3
+     SM     CT2     CT1     HB1     9  0.000000e+00  2.677760e-01      3
+     SM     CT2     CT1     NH1     9  0.000000e+00 -2.761440e-01      1
+     SM     CT2     CT1     NH1     9  0.000000e+00  2.217520e-01      2
+     SM     CT2     CT1     NH1     9  0.000000e+00  9.916080e-01      3
+     SM      SM     CT2     CT1     9  0.000000e+00  1.297040e+00      3
+     SM      SM     CT2     HA2     9  0.000000e+00  6.610720e-01      3
+      X     CP1     CP2       X     9  0.000000e+00  5.857600e-01      3
+      X     CP2     CP2       X     9  0.000000e+00  6.694400e-01      3
+      X     CP3     CP2       X     9  0.000000e+00  5.857600e-01      3
+      X     CT1      CC       X     9  1.800000e+02  2.092000e-01      6
+      X     CT1     CT2       X     9  0.000000e+00  8.368000e-01      3
+      X     CT1     CT3       X     9  0.000000e+00  8.368000e-01      3
+      X     CT1     NH3       X     9  0.000000e+00  4.184000e-01      3
+      X     CT2      CC       X     9  1.800000e+02  2.092000e-01      6
+
+[ dihedraltypes ]
+; i	j	k	l	func	q0	Kq
+      C      HC      HC     NC2     2  0.000000e+00  0.000000e+00
+    HR1     NR1     NR2    CPH2     2  0.000000e+00  4.184000e+00
+    HR1     NR2     NR1    CPH2     2  0.000000e+00  4.184000e+00
+    HR3    CPH1     NR2    CPH1     2  0.000000e+00  4.184000e+00
+    HR3     NR2    CPH1    CPH1     2  0.000000e+00  4.184000e+00
+      N       C     CP1     CP3     2  0.000000e+00  0.000000e+00
+    NR1    CPH1    CPH2       H     2  0.000000e+00  3.765600e+00
+    NR1    CPH2    CPH1       H     2  0.000000e+00  3.765600e+00
+      O     CT2     NH2      CC     2  0.000000e+00  3.765600e+02
+      O     NH2     CT2      CC     2  0.000000e+00  3.765600e+02
+    NC2       X       X       C     2  0.000000e+00  3.765600e+02
+    NH1       X       X       H     2  0.000000e+00  1.673600e+02
+    NH2       X       X       H     2  0.000000e+00  3.347200e+01
+      O       X       X       C     2  0.000000e+00  1.004160e+03
+     OC       X       X      CC     2  0.000000e+00  8.033280e+02
+
+[ cmaptypes ]
+; i j k l m
+C NH1 CT1 C NH1 1 24 24\
+0.543920 3.221680 4.058480 5.230000 8.870080 11.380480 8.744560 7.489360 3.263520 -2.886960\
+4.184000 -9.204800 -20.208720 -20.166880 -20.543440 -15.020560 -11.589680 -11.631520 -10.250800 -9.832400\
+-9.790560 -6.359680 -3.974800 -0.167360 -0.543920 5.773920 6.610720 7.824080 10.041600 10.418160\
+10.208960 8.075120 4.560560 2.677760 1.087840 -11.715200 -16.777840 -17.321760 -14.309280 -10.878400\
+-9.623200 -6.276000 -4.602400 -3.598240 -2.677760 -0.878640 -4.518720 -4.686080 0.334720 5.941280\
+6.778080 8.577200 11.087600 11.380480 9.706880 8.326160 6.527040 10.292640 -0.962320 -7.614880\
+-10.794720 -12.593840 -10.669200 -7.907760 -5.648400 -3.054320 0.292880 -0.962320 -3.221680 -5.355520\
+-5.397360 -3.430880 3.891120 6.359680 9.372160 10.669200 13.012240 12.217280 10.292640 9.162960\
+8.619040 7.740400 0.502080 -4.937120 -8.368000 -9.539520 -8.200640 -5.606560 -3.891120 0.083680\
+1.297040 -2.175680 -4.811600 -4.100320 -2.384880 -1.840960 5.690240 8.200640 11.296800 12.719360\
+15.480800 14.895040 11.045760 11.589680 11.380480 6.819920 2.970640 -3.305360 -8.870080 -11.003920\
+-7.531200 -1.799120 -0.251040 1.840960 3.807440 -2.301200 -4.058480 -3.598240 -1.046000 1.882800\
+8.577200 10.627360 11.798880 12.928560 14.100080 14.853200 12.844880 12.133600 12.384640 8.870080\
+3.807440 -3.430880 -8.744560 -9.372160 -6.108640 0.878640 0.334720 3.221680 4.351360 -0.502080\
+-1.338880 -0.669440 1.297040 3.054320 6.066800 11.506000 11.464160 13.221440 14.434800 13.974560\
+13.305120 16.317600 13.974560 10.208960 3.807440 -2.552240 -6.317840 -6.778080 -4.016640 -0.083680\
+1.757280 3.807440 1.924640 0.627600 -0.292880 0.083680 1.171520 3.138000 5.773920 14.016400\
+9.832400 12.803040 15.941040 15.480800 14.978720 17.614640 14.811360 7.070960 0.418400 -2.845120\
+-0.502080 -1.799120 -2.510400 0.962320 1.757280 1.255200 2.301200 0.794960 -1.046000 -0.794960\
+-1.046000 1.966480 1.004160 5.146320 7.196480 13.263280 17.614640 18.367760 17.907520 15.355280\
+9.497680 -2.008320 -1.715440 -0.167360 -1.506240 -3.430880 -0.711280 0.585760 1.129680 1.338880\
+1.297040 -2.803280 -3.974800 -6.401520 -6.192320 -0.836800 -4.937120 0.334720 9.832400 17.614640\
+22.509920 22.551760 18.325920 10.292640 4.686080 0.460240 0.041840 -0.627600 -3.347200 -2.426720\
+0.334720 1.129680 -0.209200 1.589920 1.046000 -3.723760 -6.610720 -8.158800 -8.284320 -8.368000\
+-4.895280 4.476880 17.489120 28.200160 25.396880 20.125040 11.631520 5.522880 3.221680 -0.041840\
+1.171520 -2.970640 5.481040 6.359680 8.033280 9.288480 0.794960 2.217520 1.380720 -6.694400\
+-11.924400 -14.853200 -13.723520 -11.129440 1.213360 23.388560 15.606320 13.472480 13.681680 10.543680\
+6.652560 5.773920 3.598240 2.761440 6.778080 3.556400 2.133840 3.096160 4.267680 6.778080\
+-1.422560 0.753120 -2.552240 -10.711040 -15.857360 -15.941040 -13.221440 -7.322000 11.840720 3.305360\
+1.338880 2.008320 2.635920 4.100320 5.188160 6.987280 6.903600 10.543680 6.736240 3.263520\
+0.502080 0.292880 0.502080 -6.568880 -5.062640 -8.075120 -10.878400 -15.857360 -16.443120 -15.146080\
+-11.213120 -3.849280 -3.263520 -7.991440 -8.577200 -7.740400 -4.393200 0.753120 7.029120 9.288480\
+5.690240 10.250800 6.024960 2.845120 -1.004160 -2.259360 -3.305360 -9.121120 -13.430640 -18.200400\
+-16.484960 -16.359440 -14.476640 -11.589680 7.363840 1.297040 -12.384640 -14.560320 -14.392960 -10.041600\
+-4.727920 1.422560 5.983120 5.815760 4.058480 10.292640 6.359680 2.301200 -1.715440 -6.192320\
+-14.978720 -17.279920 -19.079040 -18.576960 -14.978720 -12.384640 -8.200640 -4.476880 -6.694400 -10.250800\
+-16.819680 -16.066560 -14.100080 -9.748720 -4.100320 1.506240 3.389040 3.138000 2.092000 7.949600\
+3.221680 -1.757280 -13.765360 -16.359440 -18.911680 -20.459760 -16.108400 -17.363600 -11.171280 -9.916080\
+-11.966240 -14.309280 -15.355280 -15.062400 -14.016400 -12.468320 -9.706880 -5.188160 -1.087840 3.012480\
+2.803280 1.840960 10.041600 6.819920 -8.409840 -13.849040 -16.694160 -18.953520 -20.292400 -15.773680\
+-16.484960 -16.275760 -10.920240 -14.685840 -15.731840 -15.229760 -14.434800 -13.974560 -9.414000 -6.861760\
+-4.225840 0.167360 2.677760 3.430880 2.175680 -0.041840 -1.548080 -4.978960 -9.999760 -14.141920\
+-18.828000 -23.388560 -23.053840 -20.668960 -16.024720 -16.066560 -15.480800 -17.363600 -17.447280 -15.606320\
+-15.648160 -10.962080 -7.196480 -4.937120 -1.799120 1.171520 3.389040 3.347200 2.008320 -1.422560\
+-3.305360 -7.405680 -11.757040 -15.899200 -21.840480 -26.275520 -27.530720 -23.597760 -21.171040 -16.819680\
+-17.363600 -18.702480 -17.154400 -15.773680 -13.221440 -11.087600 -7.740400 -4.560560 -1.882800 0.543920\
+4.225840 3.681920 2.050160 -0.920480 -3.598240 -7.029120 -12.593840 -17.279920 -25.062160 -28.702240\
+-28.576720 -24.476400 -16.150240 -20.334240 -20.543440 -19.748480 -19.246400 -17.112560 -13.681680 -10.083440\
+-8.242480 -4.686080 -2.259360 -0.627600 3.179840 4.351360 3.179840 1.297040 -1.380720 -7.824080\
+-14.100080 -20.961840 -25.606080 -29.497200 -29.204320 -15.480800 -18.869840 -21.296560 -22.677280 -20.292400\
+-18.576960 -16.736000 -14.309280 -11.506000 -8.828240 -4.895280 -1.338880 -0.041840 1.338880 4.560560\
+3.932960 2.635920 -0.711280 -7.656720 -14.518480 -20.710800 -25.564240 -8.033280 -16.945200 -20.920000\
+-20.920000 -20.250560 -20.459760 -17.991200 -18.786160 -18.576960 -17.405440 -13.305120 -7.363840 -1.673600\
+0.083680 1.506240 2.635920 5.271840 5.690240 3.974800 -0.292880 -6.192320 -13.179600 7.698560\
+-7.363840 -21.296560 -24.016160 -22.551760 -19.999520 -17.530960 -17.238080 -16.903360 -17.279920 -16.861520\
+-16.861520 -12.300960 -3.389040 -0.292880 1.589920 2.259360 5.355520 6.861760 7.112800 6.359680\
+2.635920 -4.560560 -11.464160 -3.096160 -19.079040 -26.819440 -24.643760 -21.505760 -17.530960 -15.355280\
+-16.066560 -14.895040 -14.853200 -13.598000 -11.506000 -7.573040
+
+C NH1 CT2 C NH1 1 24 24\
+0.984704 0.762743 0.741405 1.660211 3.595730 6.232905 8.755020 9.613577 7.567182 2.912901\
+-2.356847 -5.994417 -4.247178 5.967639 -2.361031 2.912901 7.565509 9.630313 8.755438 6.230394\
+3.596148 1.660630 0.740150 0.763162 0.084098 -0.852699 -1.128425 0.059413 2.597427 5.825802\
+8.561301 9.155429 7.045438 2.880684 -1.563561 -2.943444 3.505355 15.497536 -3.054738 2.485714\
+7.167610 9.229067 8.478458 6.400683 4.298642 2.609979 1.457706 0.764835 -2.232582 -3.378162\
+-3.366446 -1.589083 1.528415 4.886912 6.865944 6.770130 5.448405 2.573578 0.274889 3.089884\
+12.382548 -8.521134 -3.910366 1.706654 6.347128 8.304403 7.669690 6.004877 4.165590 2.352245\
+0.630110 -0.874456 -5.056364 -5.980610 -5.519533 -3.420420 -0.470282 1.901210 3.086118 3.678991\
+3.556818 2.804535 3.947604 -11.092621 -11.838210 -9.201034 -4.458889 1.169846 5.531248 6.980167\
+6.365119 4.995278 3.202015 1.029264 -1.320052 -3.444269 -7.485594 -8.223652 -7.785169 -6.058014\
+-3.750956 -1.677784 -0.063178 1.344319 2.655166 4.084839 -8.273860 -12.063309 -11.918124 -8.944974\
+-4.017895 1.291601 4.594450 5.210335 4.742982 3.689451 1.875269 -0.643918 -3.446361 -5.875591\
+-9.400193 -10.405608 -10.349961 -8.935350 -6.601097 -4.102830 -1.795354 0.605425 3.071056 -3.842167\
+-9.619853 -12.059125 -11.165422 -7.728266 -3.011643 0.447688 2.075264 2.315844 2.444711 2.066896\
+0.411287 -2.216683 -5.179374 -7.698978 -11.929002 -13.309722 -13.386708 -11.653695 -8.595191 -5.200294\
+-1.993676 1.205410 -0.189535 -6.152990 -10.706019 -12.005570 -10.252055 -6.619925 -3.894467 -1.784058\
+-0.094977 0.000000 -0.407522 -0.569442 -1.839286 -4.345502 -7.284344 -9.929469 -16.576171 -17.858149\
+-17.192056 -14.077905 -9.423205 -4.771434 -0.877803 2.038863 -3.122101 -8.902297 -12.267906 -12.127324\
+-9.405214 -7.239994 -4.925405 -1.875269 0.146022 -0.306687 -2.224214 -3.904927 -5.693169 -8.406493\
+-11.488009 -14.329782 -22.627072 -22.405738 -19.414178 -13.736909 -7.155477 -1.773179 1.482810 -0.433881\
+-6.601097 -11.833607 -13.184621 -11.084253 -9.133672 -7.368861 -4.107433 -0.730945 1.098718 0.164013\
+-2.773992 -6.404449 -10.368789 -14.500070 -18.134293 -20.966861 -25.493949 -22.168506 -15.968738 -8.043866\
+-0.820733 3.214149 2.378604 -3.478159 -9.806878 -12.707226 -11.144921 -9.167562 -8.463814 -6.018684\
+-2.715416 0.322168 1.847236 1.077380 -2.054762 -7.617390 -14.531450 -20.481517 -24.228289 -25.965486\
+-22.000413 -15.379526 -6.824564 1.799476 6.261230 1.331349 -2.322538 -7.093972 -10.184693 -9.173838\
+-7.076399 -7.907760 -7.148364 -5.047159 -2.374002 0.227191 2.080285 2.508726 -0.715464 -8.943718\
+-17.727608 -23.363874 -25.669258 -25.384328 -13.229055 -3.774303 5.993371 -6.078871 -6.530304 -6.968870\
+-7.460490 -7.343338 -5.561791 -3.058922 -5.510328 -6.957155 -6.699421 -5.417862 -3.419583 -0.824666\
+2.299108 3.558074 -2.885705 -11.798462 -18.380312 -21.386516 -21.780607 -19.475620 0.142402 -9.831814\
+-14.276080 -15.146373 -14.438775 -12.031720 -7.480155 -2.264590 1.717323 -1.558540 -4.714740 -6.269515\
+-6.730801 -6.269515 -4.714740 -1.558540 1.717323 -2.264590 -7.480155 -12.031720 -14.438775 -15.146373\
+-14.276080 -9.831814 -13.231251 -19.475620 -21.780607 -21.386516 -18.380312 -11.798462 -2.885705 3.558074\
+2.299108 -0.824666 -3.419583 -5.417862 -6.699421 -6.957155 -5.510328 -3.058922 -5.561791 -7.343338\
+-7.460490 -6.968870 -6.530304 -6.078871 5.993371 -3.774303 -22.000392 -25.384328 -25.669258 -23.363874\
+-17.727608 -8.943718 -0.715464 2.508726 2.080285 0.227191 -2.374002 -5.047159 -7.148364 -7.907760\
+-7.076399 -9.173838 -10.184693 -7.093972 -2.322538 1.331349 6.261230 1.799476 -6.824564 -15.379526\
+-25.494367 -25.965486 -24.228289 -20.481517 -14.531450 -7.617390 -2.054762 1.077380 1.847236 0.322168\
+-2.715416 -6.018684 -8.463814 -9.167562 -11.144921 -12.707226 -9.806878 -3.478159 2.378604 3.214149\
+-0.820733 -8.043866 -15.968738 -22.168506 -22.624980 -20.966861 -18.134293 -14.500070 -10.368789 -6.404449\
+-2.773992 0.164013 1.098718 -0.730945 -4.107433 -7.368861 -9.133672 -11.084253 -13.184621 -11.833607\
+-6.601097 -0.433881 1.482810 -1.773179 -7.155477 -13.736909 -19.414178 -22.405738 -16.576590 -14.329782\
+-11.488009 -8.406493 -5.693169 -3.904927 -2.224214 -0.306687 0.146022 -1.875269 -4.925405 -7.239994\
+-9.405214 -12.127324 -12.267906 -8.902297 -3.122101 2.038863 -0.877803 -4.771434 -9.423205 -14.077905\
+-17.192056 -17.858149 -11.943228 -9.929469 -7.284344 -4.345502 -1.839286 -0.569442 -0.407522 0.000000\
+-0.094977 -1.784058 -3.894467 -6.619925 -10.252055 -12.005570 -10.706019 -6.152990 -0.189535 1.205410\
+-1.993676 -5.200294 -8.595191 -11.653695 -13.386708 -13.309722 -9.398938 -7.698978 -5.179374 -2.216683\
+0.411287 2.066896 2.444711 2.315844 2.075264 0.447688 -3.011643 -7.728266 -11.165422 -12.059125\
+-9.619853 -3.842167 3.071056 0.605425 -1.795354 -4.102830 -6.601097 -8.935350 -10.349961 -10.405608\
+-7.484339 -5.875591 -3.446361 -0.643918 1.875269 3.689451 4.742982 5.210335 4.594450 1.291601\
+-4.017895 -8.944974 -11.918124 -12.063309 -8.273860 4.084839 2.655166 1.344319 -0.063178 -1.677784\
+-3.750956 -6.058014 -7.785169 -8.223652 -5.058038 -3.444269 -1.320052 1.029264 3.202015 4.995278\
+6.365119 6.980167 5.531248 1.169846 -4.458889 -9.201034 -11.838210 -11.092621 3.947604 2.804535\
+3.556818 3.678991 3.086118 1.901210 -0.470282 -3.420420 -5.519533 -5.980610 -2.231746 -0.874456\
+0.630110 2.352245 4.165590 6.004877 7.669690 8.304403 6.347128 1.706654 -3.910366 -8.521134\
+12.382548 3.089884 0.274889 2.573578 5.448405 6.770130 6.865944 4.886912 1.528415 -1.589083\
+-3.366446 -3.378162 0.083262 0.764835 1.457706 2.609979 4.298642 6.400683 8.478458 9.229067\
+7.167610 2.485714 -3.054738 15.497536 3.505355 -2.943444 -1.563561 2.880684 7.045438 9.155429\
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+
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diff --git a/gromacs-demos/vacf/vacf-demo.py b/gromacs-demos/vacf/vacf-demo.py
new file mode 100644
index 0000000..2de23d6
--- /dev/null
+++ b/gromacs-demos/vacf/vacf-demo.py
@@ -0,0 +1,41 @@
+from imdclient.IMDREADER import IMDReader
+import numpy as np
+import MDAnalysis as mda
+import logging
+import dynplot as dyn
+import vdos as vd
+import time as t
+
+# %%
+logger = logging.getLogger("imdclient.IMDClient")
+file_handler = logging.FileHandler("imdreader.log")
+formatter = logging.Formatter(
+    "%(asctime)s - %(name)s - %(levelname)s - %(message)s"
+)
+file_handler.setFormatter(formatter)
+logger.addHandler(file_handler)
+logger.setLevel(logging.INFO)
+
+# %%
+u = mda.Universe("mda.tpr", "imd://localhost:8888",buffersize = 10*1024*1024)
+sel = u.select_atoms("resname SOL")
+vdos = vd.vdos(sel,200)
+
+vd.vdosLib.omp_set_num_threads(2)
+tStep = 0
+for ts in u.trajectory:
+    vdos.single_frame(tStep,ts.time)
+    if tStep == 0:
+        d = dyn.dynamicPlot([time_ps[0], time_ps[-1]], "time (ps)", [y_min, y_max], "VACF (arb. u.)", "")
+    elif tStep % 200 == 0:
+        vdos.copyResidueList()
+        vdos.postProcess(vdos.residueListCopy,mode = "total+single")
+        time_ps     = np.array(vdos.tau)           # time axis(ps)
+        vacf_total  = np.array(vdos.totVACF[0])    # total/averaged VACF
+        vacf_tr_x   = np.array(vdos.trVACF[0][0])  # translational VACF
+        d.update(time_ps, vacf_total, vacf_tr_x)
+    tStep += 1
+# %%
+logger.info(f"Parsed {tStep} frames")
+
+
diff --git a/gromacs-demos/vacf/vdos.c b/gromacs-demos/vacf/vdos.c
new file mode 100644
index 0000000..57936ee
--- /dev/null
+++ b/gromacs-demos/vacf/vdos.c
@@ -0,0 +1,984 @@
+#include <stdio.h>
+#include <stdlib.h>
+#include <math.h>
+#include <gsl/gsl_matrix.h>
+#include <gsl/gsl_math.h>
+#include <gsl/gsl_eigen.h>
+
+typedef float *vector;
+
+void vecCopy(vector a, vector res) {
+    res[0]=a[0];
+    res[1]=a[1];
+    res[2]=a[2];
+}
+
+void vecSub(vector a, vector b, vector res) {
+    res[0]=a[0]-b[0];
+    res[1]=a[1]-b[1];
+    res[2]=a[2]-b[2];
+}
+
+void vecSubInPlace(vector a, vector b) {
+    a[0]-=b[0];
+    a[1]-=b[1];
+    a[2]-=b[2];
+}
+
+void vecAdd(vector a, vector b, vector res) {
+    res[0]=a[0]+b[0];
+    res[1]=a[1]+b[1];
+    res[2]=a[2]+b[2];
+}
+
+void vecAddInPlace(vector a, vector b) {
+    a[0]+=b[0];
+    a[1]+=b[1];
+    a[2]+=b[2];
+}
+
+float vecDot(vector a, vector b) {
+    return a[0]*b[0]+a[1]*b[1]+a[2]*b[2];
+}
+
+float vecNorm(vector a) {
+    return sqrt(vecDot(a,a));
+}
+
+void vecNormalize(vector a, vector res) {
+    float norm;
+    norm=vecNorm(a);
+    res[0]=a[0]/norm;
+    res[1]=a[1]/norm;
+    res[2]=a[2]/norm;
+}
+
+void vecNormalizeInPlace(vector a) {
+    float norm;
+    norm=vecNorm(a);
+    a[0]/=norm;
+    a[1]/=norm;
+    a[2]/=norm;
+}
+
+void vecScale(float s, vector a, vector res) {
+    res[0]=a[0]*s;
+    res[1]=a[1]*s;
+    res[2]=a[2]*s;
+}
+
+void vecScaleInPlace(float s, vector a) {
+    a[0]*=s;
+    a[1]*=s;
+    a[2]*=s;
+}
+
+void vecCross(vector a, vector b, vector res) {
+    res[0] = a[1] * b[2] - a[2] * b[1];
+    res[1] = a[2] * b[0] - a[0] * b[2];
+    res[2] = a[0] * b[1] - a[1] * b[0];
+}
+
+void vecCenter(vector a, vector b, vector res) {
+    res[0] = (a[0] + b[0]) / 2.0;
+    res[1] = (a[1] + b[1]) / 2.0;
+    res[2] = (a[2] + b[2]) / 2.0;
+}
+
+typedef struct {
+    int bondAtomIndices[2];
+    int sat0AtomIndices[4];
+    int nSat0;
+    int sat3AtomIndices[4];
+    int nSat3;
+    double sumInertia;
+    double sumLogInertia;
+    float *wOmegaBuffer;
+} t_rotBond;
+
+typedef struct {
+    /* constant data */
+    int nAtoms;
+    float resMass;
+    int nRotBonds;
+    float *atomMasses;
+    float *atomMassesX3;
+    t_rotBond *rotBonds;
+    /* transient data */
+    float *atomCrdMol;
+    float *atomVelMol;
+    float inertia[3];
+    float prevAxes[9];
+    float angMomLab[3];
+    float angMomMol[3];
+    float omegaMol[3];
+    float omegaLab[3];
+    float *COMposBuffer;
+    float *COMposCurrent;
+    float *COMposCorrRef;
+    float *COMvelBuffer;
+    float *COMvelCurrent;
+    float *COMvelCorrRef;
+    float *wOmegaBuffer;
+    float *wOmegaCurrent;
+    float *wOmegaCorrRef;
+    /* accumulating data */
+    double sumInertia[3];
+    double sumLogInertia[3];
+    double *totCorr;
+    double *trCorr;
+    double *rotCorr;
+    double *rotBondCorr;
+    int propCnt;
+    int corrCnt;
+    /* offset in MD info arrays */
+    int offset;
+} t_residue;
+
+typedef struct {
+    t_residue *residues;
+    int nResidues;
+    double *totCorr;
+    double *trCorr;
+    double *rotCorr;
+    double *rotBondCorr;
+    double inertia[3];
+    double logInertia[3];
+    double rotBondInertia;
+    double logRotBondInertia;
+    int postProcessed;
+} t_residueList;
+
+typedef struct {
+    int frameSize;
+    float *atomCrd;
+    int bufferSize;
+    float *atomVelBuffer;
+    float *atomVelCurrent;
+    float *atomVelCorrRef;
+    int nCorr;
+    int nAtomsSel;
+} t_MDinfo;
+
+typedef struct {
+    int *indices;
+    long long rank;
+} t_dih;
+
+int allocResidueList(t_residueList *residueList,int nRes,int nCorr) {
+    int i;
+
+    residueList->residues=(t_residue*)malloc(nRes*sizeof(t_residue));
+    residueList->nResidues=nRes;
+    residueList->totCorr=(double*)calloc(nCorr,sizeof(double));
+    residueList->trCorr=(double*)calloc(nCorr*3,sizeof(double));
+    residueList->rotCorr=(double*)calloc(nCorr*3,sizeof(double));
+    residueList->rotBondCorr=(double*)calloc(nCorr,sizeof(double));
+    for(i=0;i<3;i++) {
+        residueList->inertia[i]=0.0;
+        residueList->logInertia[i]=0.0;
+    }
+    residueList->rotBondInertia=0.0;
+    residueList->logRotBondInertia=0.0;
+    return 0;
+}
+
+int allocMDinfo(t_MDinfo *MDinfo, int nCorr, int nAtomsSel) {
+    int i;
+
+    MDinfo->frameSize=nAtomsSel*3;
+    MDinfo->atomCrd=(float*)malloc(MDinfo->frameSize*sizeof(float));
+    MDinfo->bufferSize=nCorr*MDinfo->frameSize;
+    MDinfo->atomVelBuffer=(float*)malloc(MDinfo->bufferSize*sizeof(float));
+    MDinfo->nCorr=nCorr;
+    MDinfo->nAtomsSel=nAtomsSel;
+    return 0;
+}
+
+int allocResidue(t_residue *res,int nAtoms,float *atomMasses,float resMass,int nAtomsSel,int nCorr) {
+    int i,j;
+    
+    res->nAtoms=nAtoms;
+    res->resMass=resMass;
+    res->atomMasses=(float*)malloc(nAtoms*sizeof(float));
+    res->atomMassesX3=(float*)malloc(nAtoms*3*sizeof(float));
+    res->atomCrdMol=(float*)malloc(nAtoms*3*sizeof(float));
+    res->atomVelMol=(float*)malloc(nAtoms*3*sizeof(float));
+    for(i=0;i<nAtoms;i++) {
+        res->atomMasses[i]=atomMasses[i];
+        for(j=0;j<3;j++) {
+            res->atomMassesX3[i*3+j]=atomMasses[i];
+        }
+    }
+    for(i=0;i<3;i++) {
+        res->sumInertia[i]=0.0;
+        res->sumLogInertia[i]=0.0;
+    }
+    res->totCorr=(double*)calloc(nCorr, sizeof(double));
+    res->COMposBuffer=(float*)calloc(nCorr*3, sizeof(float));
+    res->COMvelBuffer=(float*)calloc(nCorr*3, sizeof(float));
+    res->trCorr=(double*)calloc(nCorr*3, sizeof(double));
+    res->wOmegaBuffer=(float*)calloc(nCorr*3, sizeof(float));
+    res->rotCorr=(double*)calloc(nCorr*3, sizeof(double));
+    for(i=0;i<9;i++) {
+        res->prevAxes[i]=0.0;
+    }
+    res->prevAxes[0]=1.0;
+    res->prevAxes[4]=1.0;
+    res->prevAxes[8]=1.0;
+    res->rotBondCorr=(double*)calloc(nCorr, sizeof(double));
+    res->propCnt=0;
+    res->corrCnt=0;
+    return 0;
+}
+
+int setArrayIndexOffsets(t_residueList *residueList,t_MDinfo *MDinfo) {
+    int i;
+    int offset=0;
+
+    for(i=0;i<residueList->nResidues;i++) {
+        residueList->residues[i].offset=offset;
+        offset+=residueList->residues[i].nAtoms*3;
+    }
+    return 0;
+}
+
+int computeTotalVACF(t_residue *res,t_MDinfo *MDinfo) {
+    int i,j,k;
+    float *m,*v1,*v2;
+
+    m=res->atomMassesX3;
+    v1=MDinfo->atomVelCorrRef+res->offset;
+    for(i=0;i<MDinfo->nCorr;i++) {
+        k = ((v1+(i*MDinfo->frameSize))-MDinfo->atomVelBuffer) % MDinfo->bufferSize;
+        v2=MDinfo->atomVelBuffer+k;
+        for(j=0;j<res->nAtoms*3;j++) {
+            res->totCorr[i]+=m[j]*v1[j]*v2[j];
+        }
+    }
+}
+
+int computeCOM(int bufferShift,t_residue *res,t_MDinfo *MDinfo) {
+    int i;
+    float *m,*crd,*vel;
+
+    m=res->atomMasses;
+    res->COMposCurrent=res->COMposBuffer+bufferShift;
+    res->COMvelCurrent=res->COMvelBuffer+bufferShift;
+    crd=MDinfo->atomCrd+res->offset;
+    vel=MDinfo->atomVelCurrent+res->offset;
+    for(i=0;i<3;i++) {
+        res->COMposCurrent[i]=0.0;
+        res->COMvelCurrent[i]=0.0;
+    }
+    for(i=0;i<res->nAtoms;i++) {
+        res->COMposCurrent[0]+=m[i]*crd[i*3+0];
+        res->COMposCurrent[1]+=m[i]*crd[i*3+1];
+        res->COMposCurrent[2]+=m[i]*crd[i*3+2];
+        res->COMvelCurrent[0]+=m[i]*vel[i*3+0];
+        res->COMvelCurrent[1]+=m[i]*vel[i*3+1];
+        res->COMvelCurrent[2]+=m[i]*vel[i*3+2];
+    }
+    for(i=0;i<3;i++) {
+        res->COMposCurrent[i]/=res->resMass;
+        res->COMvelCurrent[i]/=res->resMass;
+    }
+    return 0;
+}
+
+int computeTransVACF(int bufferShift,t_residue *res,t_MDinfo *MDinfo) {
+    int i,j,k;
+    float mass;
+    float *v1,*v2;
+
+    mass=res->resMass;
+    v1=res->COMvelBuffer+bufferShift;
+    for(i=0;i<MDinfo->nCorr;i++) {
+        k = ((v1+(i*3))-res->COMvelBuffer) % (MDinfo->nCorr*3);
+        v2=res->COMvelBuffer+k;
+        for(j=0;j<3;j++) {
+            res->trCorr[i*3+j]+=mass*v1[j]*v2[j];
+        }
+    }
+}
+
+int subtractCOM(int bufferShift,t_residue *res,t_MDinfo *MDinfo) {
+    int i;
+    float *crdLab,*crd;
+    float *velLab,*vel;
+    float *COMpos,*COMvel;
+
+    COMpos=res->COMposCurrent;
+    COMvel=res->COMvelCurrent;
+    crdLab=MDinfo->atomCrd+res->offset;
+    velLab=MDinfo->atomVelCurrent+res->offset;
+    crd=res->atomCrdMol;
+    vel=res->atomVelMol;
+    for(i=0;i<res->nAtoms;i++) {
+        vecSub(crdLab,COMpos,crd);
+        vecSub(velLab,COMvel,vel);
+        crdLab+=3;
+        velLab+=3;
+        crd+=3;
+        vel+=3;
+    }
+    return 0;
+}
+
+int computeRotation(int bufferShift,t_residue *res,t_MDinfo *MDinfo) {
+    int i,j;
+    float *m,*crd,*vel;
+    float inertiaTensor[9];
+    float axes[9];
+    gsl_matrix *matrix;
+    gsl_matrix *eVec;
+    gsl_vector *eVal;
+    gsl_eigen_symmv_workspace *ws;
+
+    m=res->atomMasses;
+    res->wOmegaCurrent=res->wOmegaBuffer+bufferShift;
+    
+    for(i=0;i<9;i++) {
+        inertiaTensor[i]=0.0;
+    }
+    for(i=0;i<3;i++) {
+        res->angMomLab[i]=0.0;
+    }
+    if(res->nAtoms>1) {
+        crd=res->atomCrdMol;
+        vel=res->atomVelMol;
+        for(i=0;i<res->nAtoms;i++) {
+            inertiaTensor[0]+=m[i]*(crd[1]*crd[1]+crd[2]*crd[2]);
+            inertiaTensor[4]+=m[i]*(crd[0]*crd[0]+crd[2]*crd[2]);
+            inertiaTensor[8]+=m[i]*(crd[0]*crd[0]+crd[1]*crd[1]);
+            inertiaTensor[1]-=m[i]*crd[0]*crd[1];
+            inertiaTensor[2]-=m[i]*crd[0]*crd[2];
+            inertiaTensor[5]-=m[i]*crd[1]*crd[2];
+            res->angMomLab[0]+=m[i]*(crd[1]*vel[2]-crd[2]*vel[1]);
+            res->angMomLab[1]+=m[i]*(crd[2]*vel[0]-crd[0]*vel[2]);
+            res->angMomLab[2]+=m[i]*(crd[0]*vel[1]-crd[1]*vel[0]);
+            crd+=3;
+            vel+=3;
+        }
+        inertiaTensor[3]=inertiaTensor[1];
+        inertiaTensor[6]=inertiaTensor[2];
+        inertiaTensor[7]=inertiaTensor[5];
+
+        matrix=(gsl_matrix*)gsl_matrix_alloc(3,3);
+        for(i=0;i<3;i++) {
+            for(j=0;j<3;j++) {
+                gsl_matrix_set(matrix,i,j,inertiaTensor[i*3+j]);
+            }
+        }
+        eVal=(gsl_vector*)gsl_vector_alloc(3);
+        eVec=(gsl_matrix*)gsl_matrix_alloc(3,3);
+        /*allocating 'workspace'*/
+        ws=(gsl_eigen_symmv_workspace*)gsl_eigen_symmv_alloc(12);
+        /*compute eigenvalues and eigenvectors*/
+        gsl_eigen_symmv(matrix,eVal,eVec,ws);
+        /*sort eigenvalues and eigenvectors (largest eigenvalues first*/
+        gsl_eigen_symmv_sort(eVal,eVec,GSL_EIGEN_SORT_VAL_DESC);
+
+        for(i=0;i<3;i++) {
+            res->inertia[i]=gsl_vector_get(eVal,i);
+            res->sumInertia[i]+=res->inertia[i];
+            if(res->inertia[i]>0.0) {
+                res->sumLogInertia[i]+=log(res->inertia[i]);
+            }
+            for(j=0;j<3;j++) {
+                axes[i*3+j]=gsl_matrix_get(eVec,j,i);
+            }
+            if(vecDot(&axes[i*3],&res->prevAxes[i*3])<0.0) {
+                for(j=0;j<3;j++) {
+                    axes[i*3+j]*=-1.0;
+                }
+            }
+        }
+        for(i=0;i<9;i++) {
+            res->prevAxes[i]=axes[i];
+        }
+        for(i=0;i<3;i++) {
+            res->angMomMol[i]=vecDot(&axes[i*3],res->angMomLab);
+            if(res->inertia[i]>0.0) {
+                res->omegaMol[i]=res->angMomMol[i]/res->inertia[i];
+                res->wOmegaCurrent[i]=res->angMomMol[i]/sqrt(res->inertia[i]);
+            } else {
+                res->omegaMol[i]=0.0;
+                res->wOmegaCurrent[i]=0.0;
+            }
+        }
+        for(i=0;i<3;i++) {
+            for(j=0;j<3;j++) {
+                axes[i*3+j]=gsl_matrix_get(eVec,i,j);
+            }
+        }
+        for(i=0;i<3;i++) {
+            res->omegaLab[i]=vecDot(&axes[i*3],res->omegaMol);
+        }
+    }
+    gsl_eigen_symmv_free(ws);
+    gsl_vector_free(eVal);
+    gsl_matrix_free(eVec);
+    gsl_matrix_free(matrix);
+    return 0;
+}
+
+int computeRotVACF(int bufferShift,t_residue *res,t_MDinfo *MDinfo) {
+    int i,j,k;
+    float *v1,*v2;
+
+    v1=res->wOmegaBuffer+bufferShift;
+    for(i=0;i<MDinfo->nCorr;i++) {
+        k = ((v1+(i*3))-res->wOmegaBuffer) % (MDinfo->nCorr*3);
+        v2=res->wOmegaBuffer+k;
+        for(j=0;j<3;j++) {
+            res->rotCorr[i*3+j]+=v1[j]*v2[j];
+        }
+    }
+}
+
+int subtractRot(t_residue *res) {
+    int i;
+    float *crd,*vel;
+    float radVel[3];
+
+    crd=res->atomCrdMol;
+    vel=res->atomVelMol;
+    for(i=0;i<res->nAtoms;i++) {
+        vecCross(res->omegaLab, crd, radVel);
+        vecSubInPlace(vel, radVel);
+        crd+=3;
+        vel+=3;
+    }
+    return 0;
+}
+
+int computeRotBonds(int bufferShift,t_residue *res) {
+    int i,j;
+    float b0[3], b1[3], sat[3], satVel[3], center[3], axis[3], proj[3], perp[3], mom[3], angMom[3];
+    int nRotBonds=res->nRotBonds;
+    t_rotBond *rotBond;
+    float inertia1,inertia2;
+    float reducedInertia;
+    float angMom1,angMom2;
+    float *crd,*vel,*masses;
+    float *wOmegaCurrent;
+
+    crd=res->atomCrdMol;
+    vel=res->atomVelMol;
+    masses=res->atomMasses;
+     
+    for(i=0;i<nRotBonds;i++) {
+        inertia1=0.0;
+        inertia2=0.0;
+        angMom1=0.0;
+        angMom2=0.0;
+        rotBond=&res->rotBonds[i];
+        wOmegaCurrent=rotBond->wOmegaBuffer+bufferShift;
+
+        /*compute center of rotatable bond*/
+        vecCopy(&crd[rotBond->bondAtomIndices[0]*3],b0);
+        vecCopy(&crd[rotBond->bondAtomIndices[1]*3],b1);
+        vecCenter(b0,b1,center);
+
+        /*compute axis of rotation*/
+        vecSub(b1,b0,axis);
+        vecNormalizeInPlace(axis);
+
+        /*compute inertia*/
+        /*add inertia contributions from satellites with index 0 in dihedral*/
+        for(j=0;j<rotBond->nSat0;j++) {
+            vecCopy(&crd[rotBond->sat0AtomIndices[j]*3],sat);
+	        vecCopy(&vel[rotBond->sat0AtomIndices[j]*3],satVel);
+            /*coordinate of satellite relative to bond center*/
+            vecSubInPlace(sat,center);
+            /*project on rotational axis*/
+            vecScale(vecDot(sat,axis),axis,proj);
+            /*isolate perpendicular component*/
+            vecSub(sat,proj,perp);
+            /*moment of inertia*/
+            inertia1+=masses[rotBond->sat0AtomIndices[j]]*vecDot(perp,perp);
+            /*momentum*/
+            vecScale(masses[rotBond->sat0AtomIndices[j]],satVel,mom);
+            /*angular momentum with respect to axis*/
+            vecCross(perp,mom,angMom);
+            /*isolate angular momentum around axis*/
+            angMom1+=vecDot(angMom,axis);
+        }
+        /*add inertia contributions from satellites with index 3 in dihedral*/
+        for(j=0;j<rotBond->nSat3;j++) {
+            vecCopy(&crd[rotBond->sat3AtomIndices[j]*3],sat);
+	        vecCopy(&vel[rotBond->sat3AtomIndices[j]*3],satVel);
+            /*coordinate of satellite relative to bond center*/
+            vecSubInPlace(sat,center);
+            /*project on rotational axis*/
+            vecScale(vecDot(sat,axis),axis,proj);
+            /*isolate perpendicular component*/
+            vecSub(sat,proj,perp);
+            /*moment of inertia*/
+            inertia2+=masses[rotBond->sat3AtomIndices[j]]*vecDot(perp,perp);
+            /*momentum*/
+            vecScale(masses[rotBond->sat3AtomIndices[j]],satVel,mom);
+            /*angular momentum with respect to axis*/
+            vecCross(perp,mom,angMom);
+            /*isolate angular momentum around axis*/
+            angMom2+=vecDot(angMom,axis);
+        }
+        /*equivalent to reduced mass of vibrating bond in diatomic molecule*/
+        reducedInertia=inertia1*inertia2/(inertia1+inertia2);
+        /*accumulate reduced inertia for averaging*/
+        rotBond->sumInertia+=reducedInertia;
+        if(reducedInertia>0.0) {
+            rotBond->sumLogInertia+=log(reducedInertia);
+        }
+	/*1) convert angular momenta into angular velocities*/
+	/*2) compute difference (twist velocity of dihedral angle)*/
+	/*3) multiply with square root of "reduced" inertia for weighted rotational velocity*/
+        wOmegaCurrent[0]=sqrt(reducedInertia)*(angMom1/inertia1-angMom2/inertia2);
+    }
+    return 0;
+}
+
+int computeRotBondCorr(int bufferShift,t_residue *res,t_MDinfo *MDinfo) {
+    int i,k,m;
+    float *v1,*v2;
+
+    for(m=0;m<res->nRotBonds;m++) {
+        v1=res->rotBonds[m].wOmegaBuffer+bufferShift;
+        for(i=0;i<MDinfo->nCorr;i++) {
+            k = ((v1+i)-res->rotBonds[m].wOmegaBuffer) % MDinfo->nCorr;
+            v2=res->rotBonds[m].wOmegaBuffer+k;
+            res->rotBondCorr[i]+=v1[0]*v2[0];
+        }
+    }
+    return 0;
+}
+
+int processStep(int tStep,t_MDinfo *MDinfo,float *crds,float *vels,t_residueList *residueList,int nCorr) {
+    int i;
+    int atomVelBufferShift;
+    int resVecsBufferShiftCurrent;
+    int resVecsBufferShiftCorrRef;
+    int resNumBufferShiftCurrent;
+    int resNumBufferShiftCorrRef;
+
+    /* set MDinfo->atomVelCurrent for current time step */
+    atomVelBufferShift=(tStep%MDinfo->nCorr)*MDinfo->nAtomsSel*3;
+    MDinfo->atomVelCurrent=MDinfo->atomVelBuffer+atomVelBufferShift;
+    /* set buffer shift for computation of residue property vectors*/
+    resVecsBufferShiftCurrent=(tStep%MDinfo->nCorr)*3;
+    resNumBufferShiftCurrent=(tStep%MDinfo->nCorr);
+
+    #pragma omp parallel for
+    for(i=0;i<3*MDinfo->nAtomsSel;i++) {
+        MDinfo->atomCrd[i]=crds[i];
+        MDinfo->atomVelCurrent[i]=vels[i];
+    }
+
+    if(tStep>=nCorr-1) {
+        /* prep MDinfo->atomVelCorrRef for correlation functions*/
+        atomVelBufferShift=((tStep+1)%MDinfo->nCorr)*MDinfo->nAtomsSel*3;
+        MDinfo->atomVelCorrRef=MDinfo->atomVelBuffer+atomVelBufferShift;
+        /* set buffer shift for correlation function of residue property vectors*/
+        resVecsBufferShiftCorrRef=((tStep+1)%MDinfo->nCorr)*3;
+        resNumBufferShiftCorrRef=((tStep+1)%MDinfo->nCorr);
+    }
+    
+    #pragma omp parallel for
+    for(i=0;i<residueList->nResidues;i++) {
+        computeCOM(resVecsBufferShiftCurrent,&residueList->residues[i],MDinfo);
+        subtractCOM(resVecsBufferShiftCurrent,&residueList->residues[i],MDinfo);
+        computeRotation(resVecsBufferShiftCurrent,&residueList->residues[i],MDinfo);
+        subtractRot(&residueList->residues[i]);
+        computeRotBonds(resNumBufferShiftCurrent,&residueList->residues[i]);
+        residueList->residues[i].propCnt++;
+        if(tStep>=nCorr-1) {
+            computeTotalVACF(&residueList->residues[i],MDinfo);
+            computeTransVACF(resVecsBufferShiftCorrRef,&residueList->residues[i],MDinfo);
+            computeRotVACF(resVecsBufferShiftCorrRef,&residueList->residues[i],MDinfo);
+            computeRotBondCorr(resNumBufferShiftCorrRef,&residueList->residues[i],MDinfo);
+            residueList->residues[i].corrCnt++;
+        }
+    }
+    return 0;
+}
+
+int copyResidueListData(t_residueList *dst,t_residueList *src,int nCorr) {
+    int i,j,k;
+
+    for(j=0;j<nCorr;j++) {
+        dst->totCorr[j]=src->totCorr[j];
+        for(k=0;k<3;k++) {
+            dst->trCorr[j*3+k]=src->trCorr[j*3+k];
+            dst->rotCorr[j*3+k]=src->rotCorr[j*3+k];
+        }
+        dst->rotBondCorr[j]=src->rotBondCorr[j];
+    }
+    for(k=0;k<3;k++) {
+        dst->inertia[k]=src->inertia[k];
+        dst->logInertia[k]=src->logInertia[k];
+    }
+    dst->rotBondInertia=src->rotBondInertia;
+    dst->logRotBondInertia=src->logRotBondInertia;
+
+    for(i=0;i<src->nResidues;i++) {
+        for(j=0;j<nCorr;j++) {
+            dst->residues[i].totCorr[j]=src->residues[i].totCorr[j];
+            for(k=0;k<3;k++) {
+                dst->residues[i].trCorr[j*3+k]=src->residues[i].trCorr[j*3+k];
+                dst->residues[i].rotCorr[j*3+k]=src->residues[i].rotCorr[j*3+k];
+            }
+            dst->residues[i].rotBondCorr[j]=src->residues[i].rotBondCorr[j];
+        }
+        for(k=0;k<3;k++) {
+            dst->residues[i].sumInertia[k]=src->residues[i].sumInertia[k];
+            dst->residues[i].sumLogInertia[k]=src->residues[i].sumLogInertia[k];
+        }
+        for(k=0;k<src->residues[i].nRotBonds;k++) {
+            dst->residues[i].rotBonds[k].sumInertia=src->residues[i].rotBonds[k].sumInertia;
+            dst->residues[i].rotBonds[k].sumLogInertia=src->residues[i].rotBonds[k].sumLogInertia;
+        }
+        dst->residues[i].corrCnt=src->residues[i].corrCnt;
+        dst->residues[i].propCnt=src->residues[i].propCnt;
+    }
+    return 0;
+}
+
+int normResData(t_residue *res,int nCorr) {
+    int j,k;
+    int normFactor;
+
+    normFactor=res->corrCnt;
+    for(j=0;j<nCorr;j++) {
+        res->totCorr[j]/=normFactor;
+        for(k=0;k<3;k++) {
+            res->trCorr[j*3+k]/=normFactor;
+            res->rotCorr[j*3+k]/=normFactor;
+        }
+        res->rotBondCorr[j]/=normFactor;
+    }
+    normFactor=res->propCnt;
+    for(k=0;k<3;k++) {
+        res->sumInertia[k]/=normFactor;
+        res->sumLogInertia[k]/=normFactor;
+    }
+    for(k=0;k<res->nRotBonds;k++) {
+        res->rotBonds[k].sumInertia/=normFactor;
+        res->rotBonds[k].sumLogInertia/=normFactor;
+    }
+    return 0;
+}
+
+int normResListData(t_residueList *residueList,int nCorr) {
+    int j,k;
+    int normFactor;
+
+    normFactor=residueList->nResidues;
+    for(j=0;j<nCorr;j++) {
+        residueList->totCorr[j]/=normFactor;
+        for(k=0;k<3;k++) {
+            residueList->trCorr[j*3+k]/=normFactor;
+            residueList->rotCorr[j*3+k]/=normFactor;
+        }
+        residueList->rotBondCorr[j]/=normFactor;
+    }
+    for(k=0;k<3;k++) {
+        residueList->inertia[k]/=normFactor;
+        residueList->logInertia[k]/=normFactor;
+    }
+    residueList->rotBondInertia/=normFactor;
+    residueList->logRotBondInertia/=normFactor;
+    return 0;
+}
+
+int sumData(t_residueList *residueList,int nCorr) {
+    int i,j,k;
+    int normFactor;
+
+    for(i=0;i<residueList->nResidues;i++) {
+        normResData(&residueList->residues[i],nCorr);
+        for(j=0;j<nCorr;j++) {
+            residueList->totCorr[j]+=residueList->residues[i].totCorr[j];
+            for(k=0;k<3;k++) {
+                residueList->trCorr[j*3+k]+=residueList->residues[i].trCorr[j*3+k];
+                residueList->rotCorr[j*3+k]+=residueList->residues[i].rotCorr[j*3+k];
+            }
+            residueList->rotBondCorr[j]+=residueList->residues[i].rotBondCorr[j];
+        }
+        normFactor=residueList->residues[i].propCnt;
+        for(k=0;k<3;k++) {
+            residueList->inertia[k]+=residueList->residues[i].sumInertia[k];
+            residueList->logInertia[k]+=residueList->residues[i].sumLogInertia[k];
+        }
+        for(k=0;k<residueList->residues[i].nRotBonds;k++) {
+            residueList->rotBondInertia+=residueList->residues[i].rotBonds[k].sumInertia;
+            residueList->logRotBondInertia+=residueList->residues[i].rotBonds[k].sumLogInertia;
+        }
+    }
+    normResListData(residueList,nCorr);
+    return 0;
+}
+
+/* qsort int comparison function */
+int int_cmp(const void *a, const void *b)
+{
+        const int *ia = (const int *)a; /* casting pointer types  */
+        const int *ib = (const int *)b;
+        return *ia  - *ib;
+        /* integer comparison: returns negative if b > a
+        and positive if a > b */
+}
+
+/* qsort comparison function for dihedral index list */
+int dih_cmp(const void *a, const void *b)
+{
+        const t_dih *ia = (const t_dih *)a; /* casting pointer types  */
+        const t_dih *ib = (const t_dih *)b;
+
+        long long diff = ia[0].rank  - ib[0].rank;
+
+        if(diff<0) {
+            return -1;
+        } else if(diff>0) {
+            return 1;
+        } else {
+            return 0;
+        }
+        /* integer comparison: returns negative if b > a
+        and positive if a > b */
+}
+
+int getRotBonds(t_residueList *sets,int nSets,int *dihedAtomIndices,int nDih,int *resAtomIdxRange, int nCorr) {
+    int i,j,k,l;
+    int dih[4];
+    int *tmp;
+    int min,max;
+    long long range;
+    int cnt,idx;
+    t_dih *dihList;
+    t_rotBond *rotBonds;
+    int flag;
+    int nRotBonds;
+
+    if(nDih>0) {
+        dihList=(t_dih*)malloc(nDih*sizeof(t_dih));
+        /*ensure order for dihedral list: [X a b Y] with a<b*/
+        for(i=0;i<nDih;i++) {
+            if(dihedAtomIndices[i*4+1] > dihedAtomIndices[i*4+2]) {
+                for(k=0;k<4;k++) {
+                    dih[k]=dihedAtomIndices[i*4+k];
+                }
+                for(k=0;k<4;k++) {
+                    dihedAtomIndices[i*4+k]=dih[3-k];
+                }
+            }
+        }
+        
+        /*find largest index in dihedral list*/
+        min=dihedAtomIndices[0];
+        max=-1;
+        for(i=0;i<nDih*4;i++) {
+            if(dihedAtomIndices[i]<min) {
+                min=dihedAtomIndices[i];
+            }
+            if(dihedAtomIndices[i]>max) {
+                max=dihedAtomIndices[i];
+            }
+        }
+        range=(long long)(max-min+1);
+        /*sort dihedral lists*/
+        for(i=0;i<nDih;i++) {
+            dihList[i].indices=&dihedAtomIndices[4*i];
+            /*computing rank for sorting*/
+            /*priority is on atom indices for rotatable bond*/
+            dihList[i].rank =((long long)(dihList[i].indices[1]-min+1))*range*range*range;
+            dihList[i].rank+=((long long)(dihList[i].indices[2]-min+1))*range*range;
+            dihList[i].rank+=((long long)(dihList[i].indices[0]-min+1))*range;
+            dihList[i].rank+=((long long)(dihList[i].indices[3]-min+1));
+        }
+        qsort(dihList,nDih,sizeof(t_dih),dih_cmp);
+        tmp=(int*)malloc(nDih*sizeof(int));
+
+        /*counting unique rotatable bonds: easy for sorted dihedrals*/
+        i=0;
+        j=dihList[i].indices[1];
+        k=dihList[i].indices[2];
+        cnt=1;
+        for(i=1;i<nDih;i++) {
+            if(dihList[i].indices[1]!=j || dihList[i].indices[2]!=k) {
+                /*new unique rotBond detected*/
+                j=dihList[i].indices[1];
+                k=dihList[i].indices[2];
+                cnt++;
+            }
+        }
+        /*temporarily store all unique rotatable bonds in dihedral list in array 'rotBonds'*/
+        rotBonds=(t_rotBond*)malloc(cnt*sizeof(t_rotBond));
+        idx=0;
+        i=0;
+        j=dihList[i].indices[1];
+        k=dihList[i].indices[2];
+        rotBonds[idx].bondAtomIndices[0]=j;
+        rotBonds[idx].bondAtomIndices[1]=k;
+        rotBonds[idx].sat0AtomIndices[0]=dihList[i].indices[0];
+        rotBonds[idx].nSat0=1;
+        rotBonds[idx].sat3AtomIndices[0]=dihList[i].indices[3];
+        rotBonds[idx].nSat3=1;
+        for(i=1;i<nDih;i++) {
+            if(dihList[i].indices[1]!=j || dihList[i].indices[2]!=k) {
+                /*new unique rotBond detected*/
+                j=dihList[i].indices[1];
+                k=dihList[i].indices[2];
+                idx++;
+                rotBonds[idx].bondAtomIndices[0]=j;
+                rotBonds[idx].bondAtomIndices[1]=k;
+                rotBonds[idx].sat0AtomIndices[0]=dihList[i].indices[0];
+                rotBonds[idx].nSat0=1;
+                rotBonds[idx].sat3AtomIndices[0]=dihList[i].indices[3];
+                rotBonds[idx].nSat3=1;
+            } else {
+                /*rotatable bond is the same*/
+                /*test if the satellites are the same, otherwise add to list of satellites*/
+                /*check satellite index 0*/
+                flag=0;
+                for(l=0;l<rotBonds[idx].nSat0;l++) {
+                    if(dihList[i].indices[0]==rotBonds[idx].sat0AtomIndices[l]) {
+                        flag=1;
+                        break;
+                    }
+                }
+                if(flag==0) {
+                    if(rotBonds[idx].nSat0<4) {
+                        rotBonds[idx].sat0AtomIndices[rotBonds[idx].nSat0]=dihList[i].indices[0];
+                        rotBonds[idx].nSat0++;
+                    } else {
+                        printf("ERROR: found too many satellites for rotatable bond\n");
+                        printf("       rotatable bond atom indices: %d %d\n",rotBonds[idx].bondAtomIndices[0],rotBonds[idx].bondAtomIndices[1]);
+                        return 1;
+                    }
+                }
+                /*check satellite index 3*/
+                flag=0;
+                for(l=0;l<rotBonds[idx].nSat3;l++) {
+                    if(dihList[i].indices[3]==rotBonds[idx].sat3AtomIndices[l]) {
+                        flag=1;
+                        break;
+                    }
+                }
+                if(flag==0) {
+                    if(rotBonds[idx].nSat3<4) {
+                        rotBonds[idx].sat3AtomIndices[rotBonds[idx].nSat3]=dihList[i].indices[3];
+                        rotBonds[idx].nSat3++;
+                    } else {
+                        printf("ERROR: found too many satellites for rotatable bond\n");
+                        printf("       rotatable bond atom indices: %d %d\n",rotBonds[idx].bondAtomIndices[0],rotBonds[idx].bondAtomIndices[1]);
+                        return 1;
+                    }
+                }
+            }
+        }
+        nRotBonds=idx+1;
+
+        /*just for style, let's sort the satellite indices for each unique rotatable bond*/
+        for(i=0;i<nRotBonds;i++) {
+            qsort(rotBonds[i].sat0AtomIndices,rotBonds[i].nSat0,sizeof(int),int_cmp);
+            qsort(rotBonds[i].sat3AtomIndices,rotBonds[i].nSat3,sizeof(int),int_cmp);
+        }
+
+        /*assign unique rotatable bonds to residues (one set of unique rotatable bonds per residue)*/
+        /* loops over residues, i.e., sets*/
+        // FILE *debug;
+        // debug = fopen("/Users/mheyden/Documents/GitHub/HeydenLabASU/MDA-3D-2PT/debug.txt", "w");
+        // fprintf(debug, "unique rotatable bonds\n");
+        // for(i=0;i<nRotBonds;i++) {
+        //     fprintf(debug, "rotBond %d\n", i+1);
+        //     fprintf(debug, "bondAtomIndices: %d %d\n", rotBonds[i].bondAtomIndices[0], rotBonds[i].bondAtomIndices[1]);
+        //     fprintf(debug, "sat0AtomIndices:");
+        //     for(j=0;j<rotBonds[i].nSat0;j++) {
+        //         fprintf(debug, " %d", rotBonds[i].sat0AtomIndices[j]);
+        //     }
+        //     fprintf(debug, "\n");
+        //     fprintf(debug, "sat3AtomIndices:");
+        //     for(j=0;j<rotBonds[i].nSat3;j++) {
+        //         fprintf(debug, " %d", rotBonds[i].sat3AtomIndices[j]);
+        //     }
+        //     fprintf(debug, "\n");
+        // }
+        for(i=0;i<nSets;i++) {
+            /*min max atom indices of residue i*/
+            // fprintf(debug, "Residue %d\n", i+1);
+            min=resAtomIdxRange[i*2+0];
+            max=resAtomIdxRange[i*2+1];
+            // fprintf(debug, "min: %d, max: %d\n", min, max);
+            cnt=0;
+            /*loop over unique rotatable bonds*/
+            for(j=0;j<nRotBonds;j++) {
+                flag=0;
+                for(k=0;k<2;k++) {
+                    l=rotBonds[j].bondAtomIndices[k];
+                    if(l<min || l>max) {
+                        flag=1;
+                        break;
+                    }
+                }
+                for(k=0;k<rotBonds[j].nSat0;k++) {
+                    l=rotBonds[j].sat0AtomIndices[k];
+                    if(l<min || l>max) {
+                        flag=1;
+                        break;
+                    }
+                }
+                for(k=0;k<rotBonds[j].nSat3;k++) {
+                    l=rotBonds[j].sat3AtomIndices[k];
+                    if(l<min || l>max) {
+                        flag=1;
+                        break;
+                    }
+                }
+                /*true if dihedral is part of residue i*/
+                if(flag==0) {
+                    tmp[cnt]=j;
+                    // fprintf(debug, "rotBond %d %d\n",rotBonds[j].bondAtomIndices[0],rotBonds[j].bondAtomIndices[1]);
+                    // fprintf(debug, "sat0AtomIndices:");
+                    // for(k=0;k<rotBonds[j].nSat0;k++) {
+                    //     fprintf(debug, " %d", rotBonds[j].sat0AtomIndices[k]);
+                    // }
+                    // fprintf(debug, "\n");
+                    // fprintf(debug, "sat3AtomIndices:");
+                    // for(k=0;k<rotBonds[j].nSat3;k++) {
+                    //     fprintf(debug, " %d", rotBonds[j].sat3AtomIndices[k]);
+                    // }
+                    // fprintf(debug, "\n");
+                    cnt++;
+                }
+            }
+            /*allocate memory for rotatable bonds of residue i in sets->rotBondSets[i]*/
+            sets->residues[i].nRotBonds=cnt;
+            sets->residues[i].rotBonds=(t_rotBond*)malloc(cnt*sizeof(t_rotBond));
+            /*copy rotatable bonds into for residue 'i' into sets->rotBondSets[i].rotBonds */
+            for(j=0;j<cnt;j++) {
+                l=tmp[j];
+                for(k=0;k<2;k++) {
+                    sets->residues[i].rotBonds[j].bondAtomIndices[k]=rotBonds[l].bondAtomIndices[k]-min;
+                }
+                for(k=0;k<rotBonds[l].nSat0;k++) {
+                    sets->residues[i].rotBonds[j].sat0AtomIndices[k]=rotBonds[l].sat0AtomIndices[k]-min;
+                }
+                sets->residues[i].rotBonds[j].nSat0=rotBonds[tmp[j]].nSat0;
+                for(k=0;k<rotBonds[l].nSat3;k++) {
+                    sets->residues[i].rotBonds[j].sat3AtomIndices[k]=rotBonds[l].sat3AtomIndices[k]-min;
+                }
+                sets->residues[i].rotBonds[j].nSat3=rotBonds[tmp[j]].nSat3;
+                sets->residues[i].rotBonds[j].sumInertia=0.0;
+                sets->residues[i].rotBonds[j].sumLogInertia=0.0;
+                sets->residues[i].rotBonds[j].wOmegaBuffer=(float*)malloc(nCorr*sizeof(float));
+            }
+        }
+        // fclose(debug);
+    } else {
+        for(i=0;i<nSets;i++) {
+            sets->residues[i].nRotBonds=0;
+        }
+    }
+    return 0;
+}
diff --git a/gromacs-demos/vacf/vdos.o b/gromacs-demos/vacf/vdos.o
new file mode 100644
index 0000000..0ff36df
Binary files /dev/null and b/gromacs-demos/vacf/vdos.o differ
diff --git a/gromacs-demos/vacf/vdos.py b/gromacs-demos/vacf/vdos.py
new file mode 100644
index 0000000..27e5949
--- /dev/null
+++ b/gromacs-demos/vacf/vdos.py
@@ -0,0 +1,440 @@
+# %%
+import ctypes as ct
+import MDAnalysis as mda
+from scipy.fft import fft
+import numpy as np
+
+# %%
+# ctype data structures for rotatable bonds
+class t_rotBond(ct.Structure):
+    '''datatype describing a rotatable bond and its satellites'''
+    _fields_ = (("bondAtomIndices", ct.c_int32*2),
+                ("sat0AtomIndices", ct.c_int32*4),
+                ("nSat0", ct.c_int32),
+                ("sat3AtomIndices", ct.c_int32*4),
+                ("nSat3", ct.c_int32),
+                ("sumInertia", ct.c_double),
+                ("sumLogInertia", ct.c_double),
+                ("wOmegaBuffer", ct.POINTER(ct.c_float))
+                )
+
+class t_residue(ct.Structure):
+    '''datatype with data and pointers for residue/molecule)'''
+    _fields_ = (# constant data
+                ("nAtoms", ct.c_int32),
+                ("resMass", ct.c_float),
+                ("nRotBonds", ct.c_int32),
+                ("atomMasses", ct.POINTER(ct.c_float)),
+                ("atomMassesX3", ct.POINTER(ct.c_float)),
+                ("rotBonds", ct.POINTER(t_rotBond)),
+                # transient data
+                ("atomCrdMol", ct.POINTER(ct.c_float)),
+                ("atomVelMol", ct.POINTER(ct.c_float)),
+                ("inertia", ct.c_float*3),
+                ("prevAxes", ct.c_float*9),
+                ("angMomLab", ct.c_float*3),
+                ("angMomMol", ct.c_float*3),
+                ("omegaMol", ct.c_float*3),
+                ("omegaLab", ct.c_float*3),
+                ("COMposBuffer", ct.POINTER(ct.c_float)),
+                ("COMposCurrent", ct.POINTER(ct.c_float)),
+                ("COMposCorrRef", ct.POINTER(ct.c_float)),
+                ("COMvelBuffer", ct.POINTER(ct.c_float)),
+                ("COMvelCurrent", ct.POINTER(ct.c_float)),
+                ("COMvelCorrRef", ct.POINTER(ct.c_float)),
+                ("wOmegaBuffer", ct.POINTER(ct.c_float)),
+                ("wOmegaCurrent", ct.POINTER(ct.c_float)),
+                ("wOmegaCorrRef", ct.POINTER(ct.c_float)),
+                # accumulating data
+                ("sumInertia", ct.c_double*3),
+                ("sumLogInertia", ct.c_double*3),
+                ("totCorr",ct.POINTER(ct.c_double)),
+                ("trCorr",ct.POINTER(ct.c_double)),
+                ("rotCorr",ct.POINTER(ct.c_double)),
+                ("rotBondCorr",ct.POINTER(ct.c_double)),
+                ("propCnt", ct.c_int32),
+                ("corrCnt", ct.c_int32),
+                # offset in arrays above
+                ("offset", ct.c_int32)
+                )
+
+class t_residueList(ct.Structure):
+    '''datatype describing a list of residues (e.g., for each residue in a selection)'''
+    _fields_ = (("residues", ct.POINTER(t_residue)),
+                ("nResidues", ct.c_int32),
+                ("totCorr",ct.POINTER(ct.c_double)),
+                ("trCorr",ct.POINTER(ct.c_double)),
+                ("rotCorr",ct.POINTER(ct.c_double)),
+                ("rotBondCorr",ct.POINTER(ct.c_double)),
+                ("inertia", ct.c_double*3),
+                ("logInertia", ct.c_double*3),
+                ("rotBondInertia", ct.c_double),
+                ("logRotBondInertia", ct.c_double),
+                ("postProcessed", ct.c_int32)
+                )
+    
+class t_MDinfo(ct.Structure):
+    '''datatype with data and pointers for MD simulation'''
+    _fields_ = (# number of floats in per frame in array
+                ("frameSize", ct.c_int32),
+                # single set of atomic coordinates for selection
+                ("atomCrd", ct.POINTER(ct.c_float)),
+                # number of floats in atomVelBuffer
+                ("bufferSize", ct.c_int32),
+                # nCorr sets of atomic velocities for selection
+                ("atomVelBuffer", ct.POINTER(ct.c_float)),
+                # pointer to current set of atomic velocities in buffer
+                ("atomVelCurrent", ct.POINTER(ct.c_float)),
+                # pointer to first set of atomic velocities in current buffer
+                ("atomVelCorrRef", ct.POINTER(ct.c_float)),
+                # nCorr sets of atomic velocities for selection
+                ("nCorr", ct.c_int32),
+                # number of atoms in selection
+                ("nAtomsSel", ct.c_int32)
+                )
+
+# %%
+#load the shared library with C routines
+vdosLib = ct.cdll.LoadLibrary("/home/hcho96/imd-workshop-2024-main/gromacs-demos/vacf/libvdos.so")
+#vdosLib = ct.cdll.LoadLibrary("libvdos.so")
+
+# %%
+# allocate residues in residueList
+vdosLib.allocResidueList.argtypes = [
+    # list of residues in selection
+    ct.POINTER(t_residueList),
+    # number of residues in selection
+    ct.c_int32,
+    # number of correlation times to allocate arrays
+    ct.c_int32
+]
+vdosLib.allocResidueList.restype = ct.c_int32
+
+# allocate MDinfo
+vdosLib.allocMDinfo.argtypes = [
+    # list of residues in selection
+    ct.POINTER(t_MDinfo),
+    # number of correlation times
+    ct.c_int32,
+    # number of atoms in selection
+    ct.c_int32
+]
+vdosLib.allocMDinfo.restype = ct.c_int32
+
+# allocate all arrays needed for residue and set constant pointers
+vdosLib.allocResidue.argtypes = [
+    # pointer to residue
+    ct.POINTER(t_residue),
+    # number of atoms in residue
+    ct.c_int32,
+    # # list of atomic masses for residue
+    np.ctypeslib.ndpointer(dtype=np.float32, ndim=1, flags='C_CONTIGUOUS'),
+    # residue mass
+    ct.c_float,
+    # number of atoms in selection
+    # (needed for offsets in atomic velocity buffer)
+    ct.c_int32,
+    # number of correlation times to allocate arrays
+    ct.c_int32
+]
+vdosLib.allocResidue.restype = ct.c_int32
+
+# set pointers to atom coordinates and velocities for each residue
+vdosLib.setArrayIndexOffsets.argtypes = [
+    # pointer to residue list
+    ct.POINTER(t_residueList),
+    # pointer to MDinfo
+    ct.POINTER(t_MDinfo)
+]
+vdosLib.setArrayIndexOffsets.restype = ct.c_int32
+
+#find rotatable bonds in all residues
+vdosLib.getRotBonds.argtypes = [
+    # sets of residues
+    ct.POINTER(t_residueList),
+    # number of residues
+    ct.c_int32,
+    # list of atom indices for dihedrals
+    np.ctypeslib.ndpointer(dtype=np.int32, ndim=2, flags='C_CONTIGUOUS'),
+    # number of dihedrals
+    ct.c_int32,
+    # pair of atom indices indicating the first and last atom index of each residue
+    np.ctypeslib.ndpointer(dtype=np.int32, ndim=2, flags='C_CONTIGUOUS'),
+    # number of correlation times to allocate arrays
+    ct.c_int32
+]
+vdosLib.getRotBonds.restype = ct.c_int32
+
+#process simulation time step
+vdosLib.processStep.argtypes = [
+    #time step
+    ct.c_int32,
+    #structure to store MD atomic corrdinates and buffer of velocities
+    ct.POINTER(t_MDinfo),
+    #atomic coordinates for selection
+    np.ctypeslib.ndpointer(dtype=np.float32, ndim=2, flags='C_CONTIGUOUS'),
+    #atomic velocities for selection
+    np.ctypeslib.ndpointer(dtype=np.float32, ndim=2, flags='C_CONTIGUOUS'),
+    #residue list to store residue properties
+    ct.POINTER(t_residueList),
+    #number of correlation times to allocate arrays
+    ct.c_int32
+]
+vdosLib.processStep.restype = ct.c_int32
+
+vdosLib.copyResidueListData.argtypes = [
+    #pointer to residue list copy (dst)
+    ct.POINTER(t_residueList),
+    #pointer to residue list (src))
+    ct.POINTER(t_residueList),
+    #number of correlation times
+    ct.c_int32
+]
+vdosLib.copyResidueListData.restype = ct.c_int32
+
+# normalize data in single residue
+vdosLib.normResData.argtypes = [
+    ct.POINTER(t_residue),
+    #number of correlation times
+    ct.c_int32
+]
+vdosLib.normResData.restype = ct.c_int32
+
+# normalize data for all residues and sum up for residue list
+vdosLib.sumData.argtypes = [
+    #time step
+    ct.POINTER(t_residueList),
+    #number of correlation times
+    ct.c_int32
+]
+vdosLib.sumData.restype = ct.c_int32
+
+# %%
+class vdos:
+    def __init__(self,sel,nCorr):
+        self.sel = sel
+        self.nCorr = nCorr
+        self.nRes = sel.residues.n_residues
+        # time and frequency axes for correlation functions and VDoS
+        self.tau = np.zeros(nCorr, dtype = np.float32)
+        self.wavenumber = np.zeros(nCorr, dtype = np.float32)
+        # numpy arrays for average (index 0) and per residue VACF & VDoS (in 3D-2PT for each voxel)
+        # -> total VACF / VDoS (1D)
+        # -> translation VACF / VDoS (3D)
+        # -> rotation VACF / VDoS (3D)
+        # -> rotatable bonds VACF / VDoS (1D)
+        self.totVACF     = np.zeros((self.nRes+1,    nCorr), dtype = np.float32)
+        self.totVDoS     = np.zeros((self.nRes+1,    nCorr), dtype = np.float32)
+        self.trVACF      = np.zeros((self.nRes+1, 3, nCorr), dtype = np.float32)
+        self.trVDoS      = np.zeros((self.nRes+1, 3, nCorr), dtype = np.float32)
+        self.rotVACF     = np.zeros((self.nRes+1, 3, nCorr), dtype = np.float32)
+        self.rotVDoS     = np.zeros((self.nRes+1, 3, nCorr), dtype = np.float32)
+        self.rotBondVACF = np.zeros((self.nRes+1,    nCorr), dtype = np.float32)
+        self.rotBondVDoS = np.zeros((self.nRes+1,    nCorr), dtype = np.float32)
+        # initialize residueList and MDinfo
+        self.residueList, self.MDinfo, self.residueListCopy = self.prep()
+        self.residueList.postProcessed = 0
+        self.residueListCopy.postProcessed = 0
+
+    def prep(self):
+        '''construct list of residues for selection'''
+        residueList = t_residueList()
+        error = vdosLib.allocResidueList(
+            ct.pointer(residueList),
+            ct.c_int(self.nRes),
+            ct.c_int(self.nCorr)
+        )
+        MDinfo = t_MDinfo()
+        error = vdosLib.allocMDinfo(
+            ct.pointer(MDinfo),
+            ct.c_int(self.nCorr),
+            ct.c_int(self.sel.n_atoms)
+        )
+        r = 0
+        for res in self.sel.residues:
+            error = vdosLib.allocResidue(
+                ct.pointer(residueList.residues[r]),
+                ct.c_int(len(res.atoms)),
+                res.atoms.masses.astype(np.float32),
+                ct.c_float(res.mass.astype('float32')),
+                ct.c_int(self.sel.n_atoms),
+                ct.c_int(self.nCorr)
+            )
+            if error != 0:
+                print(f'ERROR reported by \'vdosLib.allocResidue\'\n')
+            r += 1
+        vdosLib.setArrayIndexOffsets(ct.pointer(residueList), ct.pointer(MDinfo))
+        dihed = self.sel.intra_dihedrals.indices.astype(np.int32)
+        resAtomRangeList = np.zeros((len(self.sel.residues),2), dtype = np.int32)
+        i = 0
+        for res in self.sel.residues:
+            resAtomRangeList[i][0] = np.amin(res.atoms.indices)
+            resAtomRangeList[i][1] = np.amax(res.atoms.indices)
+            i += 1
+        error = vdosLib.getRotBonds(
+            ct.pointer(residueList),
+            ct.c_int(self.nRes),
+            dihed,
+            ct.c_int(len(dihed)),
+            resAtomRangeList,
+            self.nCorr
+        )
+        if error != 0:
+            print(f'ERROR reported by \'vdosLib.getRotBonds\'\n')
+
+        # the copy is meant for intermediate postprocessing, i.e., live monitoring
+        residueListCopy = t_residueList()
+        error = vdosLib.allocResidueList(
+            ct.pointer(residueListCopy),
+            ct.c_int(self.nRes),
+            ct.c_int(self.nCorr)
+        )
+        r = 0
+        for res in self.sel.residues:
+            error = vdosLib.allocResidue(
+                ct.pointer(residueListCopy.residues[r]),
+                ct.c_int(len(res.atoms)),
+                res.atoms.masses.astype(np.float32),
+                ct.c_float(res.mass.astype('float32')),
+                ct.c_int(self.sel.n_atoms),
+                ct.c_int(self.nCorr)
+            )
+            if error != 0:
+                print(f'ERROR reported by \'vdosLib.allocResidue\'\n')
+            r += 1
+        vdosLib.setArrayIndexOffsets(ct.pointer(residueListCopy), ct.pointer(MDinfo))
+        error = vdosLib.getRotBonds(
+            ct.pointer(residueListCopy),
+            ct.c_int(self.nRes),
+            dihed,
+            ct.c_int(len(dihed)),
+            resAtomRangeList,
+            self.nCorr
+        )
+        if error != 0:
+            print(f'ERROR reported by \'vdosLib.getRotBonds\'\n')
+        return residueList, MDinfo, residueListCopy
+    
+    def single_frame(self,tStep,time):
+        if tStep < self.nCorr:
+            self.tau[tStep] = time
+        error=vdosLib.processStep(
+            ct.c_int(tStep),
+            ct.pointer(self.MDinfo),
+            self.sel.atoms.positions.astype(np.float32),
+            self.sel.atoms.velocities.astype(np.float32),
+            ct.pointer(self.residueList),
+            ct.c_int(self.nCorr)
+        )
+
+    def copyResidueList(self):
+        '''copy residueList to residueListCopy'''
+        vdosLib.copyResidueListData(
+            ct.pointer(self.residueListCopy), 
+            ct.pointer(self.residueList), 
+            ct.c_int(self.nCorr)
+        )
+        self.residueListCopy.postProcessed = 0        
+
+    def postProcess(self,residueList, mode = "all", resIdx = 0):
+        '''post-process correlation functions'''
+        if residueList.postProcessed == 0:
+            period = (self.tau[1] - self.tau[0]) * (2 * self.nCorr - 1)
+            wn0 = (1.0 / period) * 33.35641
+            self.wavenumber = np.arange(0,self.nCorr) * wn0
+            if mode =="single":
+                vdosLib.normResData(ct.pointer(residueList.residues[resIdx]), ct.c_int(self.nCorr))
+            elif mode == "all" or mode == "total" or mode == "total+single":
+                vdosLib.sumData(ct.pointer(residueList), ct.c_int(self.nCorr))
+                self.totVACF[0] = residueList.totCorr[0:self.nCorr]
+                self.symFT(self.totVACF[0], self.totVDoS[0])
+                for i in range(3):
+                    self.trVACF[0][i] = residueList.trCorr[i:3*self.nCorr:3]
+                    self.symFT(self.trVACF[0][i], self.trVDoS[0][i])
+                    self.rotVACF[0][i] = residueList.rotCorr[i:3*self.nCorr:3]
+                    self.symFT(self.rotVACF[0][i], self.rotVDoS[0][i])
+                self.rotBondVACF[0] = residueList.rotBondCorr[0:self.nCorr]
+                self.symFT(self.rotBondVACF[0], self.rotBondVDoS[0])
+            else:
+                print('ERROR: unknown mode in postProcess')
+                raise ValueError
+            if mode == "all":
+                for i in range(1,self.nRes+1):
+                    self.totVACF[i] = residueList.residues[i-1].totCorr[0:self.nCorr]
+                    self.symFT(self.totVACF[i], self.totVDoS[i])
+                    for j in range(3):
+                        self.trVACF[i][j] = residueList.residues[i-1].trCorr[j:3*self.nCorr:3]
+                        self.symFT(self.trVACF[i][j], self.trVDoS[i][j])
+                        self.rotVACF[i][j] = residueList.residues[i-1].rotCorr[j:3*self.nCorr:3]
+                        self.symFT(self.rotVACF[i][j], self.rotVDoS[i][j])
+                    self.rotBondVACF[i] = residueList.residues[i-1].rotBondCorr[0:self.nCorr]
+                    self.symFT(self.rotBondVACF[i], self.rotBondVDoS[i])
+            elif mode == "single" or mode == "total+single":
+                if mode == "single":
+                    i = 0
+                else:
+                    i = 1
+                self.totVACF[i] = residueList.residues[resIdx].totCorr[0:self.nCorr]
+                self.symFT(self.totVACF[i], self.totVDoS[i])
+                for j in range(3):
+                    self.trVACF[i][j] = residueList.residues[resIdx].trCorr[j:3*self.nCorr:3]
+                    self.symFT(self.trVACF[i][j], self.trVDoS[i][j])
+                    self.rotVACF[i][j] = residueList.residues[resIdx].rotCorr[j:3*self.nCorr:3]
+                    self.symFT(self.rotVACF[i][j], self.rotVDoS[i][j])
+                self.rotBondVACF[i] = residueList.residues[resIdx].rotBondCorr[0:self.nCorr]
+                self.symFT(self.rotBondVACF[i], self.rotBondVDoS[i])
+            residueList.postProcessed = 1
+
+    def symFT(self,input,output):
+        '''symmetrize, Fourier transform and return first half of spectrum'''
+        data = np.array(input, dtype = np.float32)
+        nData=len(data)
+        tmp = np.zeros(2 * nData - 1, dtype = np.float32)
+        for i in range(nData):
+            tmp[i] = data[i]
+        for i in range(1,nData):
+            j = 2 * nData - i - 1
+            tmp[j] = tmp[i]
+        tmp = fft(tmp)
+        for i in range(nData):
+            output[i] = tmp[i].real
+    
+    def outputGeometry(self,outputFileName,residueList):
+        totMass = 0.0
+        for i in range(self.nRes):
+            totMass += residueList.residues[i].resMass
+        averMass = totMass / self.nRes
+        averInertia = residueList.inertia[0:3]
+        averLogInertia = residueList.logInertia[0:3]
+        averRotBondCount = 0
+        for i in range(self.nRes):
+            averRotBondCount += residueList.residues[i].nRotBonds
+        averRotBondCount /= self.nRes
+        if averRotBondCount > 0:
+            averRotBondInertia = residueList.rotBondInertia / averRotBondCount
+            averLogRotBondInertia = residueList.logRotBondInertia / averRotBondCount
+        else:
+            averRotBondInertia = 0.0
+            averLogRotBondInertia = 0.0
+        outFile = open(outputFileName,"w")
+        outFile.write("#Average Mass (g/mol):\n%20.6e\n" % averMass)
+        outFile.write("#Average Inertia (g/mol*A^2):\n%20.6e %20.6e %20.6e\n" % (averInertia[0],averInertia[1],averInertia[2]))
+        outFile.write("#Average Log(Inertia):\n%20.6e %20.6e %20.6e\n" % (averLogInertia[0],averLogInertia[1],averLogInertia[2]))
+        outFile.write("#Average Rotatable Bond Inertia (g/mol*A^2): (%d)\n%20.6e\n" % (averRotBondCount,averRotBondInertia))
+        outFile.write("#Average Rotatable Bond Log(Inertia): (%d)\n%20.6e\n" % (averRotBondCount,averLogRotBondInertia))
+        outFile.close()
+    
+    def outputVACF(self,outputFileName):
+        outFile = open(outputFileName,"w")
+        outFile.write("%-20s %-20s %-20s %-20s %-20s %-20s %-20s %-20s %-20s\n" % ("#Time (ps)","Translation x","Translation y","Translation z","Rotation x","Rotation y","Rotation z","Rotatable Bonds","Total"))
+        for i in range(self.nCorr):
+            outFile.write("%-20.6e %-20.6e %-20.6e %-20.6e %-20.6e %-20.6e %-20.6e %-20.6e %-20.6e\n" % (self.tau[i],self.trVACF[0][0][i],self.trVACF[0][1][i],self.trVACF[0][2][i],self.rotVACF[0][0][i],self.rotVACF[0][1][i],self.rotVACF[0][2][i],self.rotBondVACF[0][i],self.totVACF[0][i]))
+        outFile.close()
+        outFile.close()
+
+    def outputVDoS(self,outputFileName):
+        outFile = open(outputFileName,"w")
+        outFile.write("%-20s %-20s %-20s %-20s %-20s %-20s %-20s %-20s %-20s\n" % ("#Wavenumber (cm^-1)","Translation x","Translation y","Translation z","Rotation x","Rotation y","Rotation z","Rotatable Bonds","Total"))
+        for i in range(self.nCorr):
+            outFile.write("%-20.6e %-20.6e %-20.6e %-20.6e %-20.6e %-20.6e %-20.6e %-20.6e %-20.6e\n" % (self.wavenumber[i],self.trVDoS[0][0][i],self.trVDoS[0][1][i],self.trVDoS[0][2][i],self.rotVDoS[0][0][i],self.rotVDoS[0][1][i],self.rotVDoS[0][2][i],self.rotBondVDoS[0][i],self.totVDoS[0][i]))
+        outFile.close()
diff --git a/namd-demos/exec-files/run.sh b/namd-demos/exec-files/run.sh
new file mode 100644
index 0000000..bf9bba8
--- /dev/null
+++ b/namd-demos/exec-files/run.sh
@@ -0,0 +1,4 @@
+#!/bin/bash
+
+~/namd-3.0/Linux-x86_64-g++/namd3 +p8 150mV-2.conf
+
diff --git a/namd-demos/ion-flux/ion-flux.ipynb b/namd-demos/ion-flux/ion-flux.ipynb
index 831d70d..9ff61e2 100644
--- a/namd-demos/ion-flux/ion-flux.ipynb
+++ b/namd-demos/ion-flux/ion-flux.ipynb
@@ -2,12 +2,11 @@
  "cells": [
   {
    "cell_type": "code",
-   "execution_count": 1,
+   "execution_count": null,
    "metadata": {},
    "outputs": [],
    "source": [
-    "# Import required libraries\n",
-    "from imdclient.IMD import IMDReader\n",
+    "#Import required libraries\n",
     "import MDAnalysis as mda\n",
     "\n",
     "import numpy as np\n",
@@ -59,70 +58,69 @@
     }
    ],
    "source": [
-    "%matplotlib widget\n",
+    "#%matplotlib widget\n",
     "NAMD_TOPOL = \"../exec-files/T3_MNN.psf\"\n",
     "\n",
-    "# Initialize MDAnalysis Universe\n",
-    "u = mda.Universe(NAMD_TOPOL, \"imd://localhost:1027\")\n",
-    "\n",
-    "# Enable interactive plotting\n",
     "plt.ion()\n",
     "\n",
-    "# Initialize the plot\n",
     "fig, ax = plt.subplots(figsize=(10,6))\n",
-    "line, = ax.plot([], [], lw=2)  # Line for dynamic updates\n",
-    "ax.set_xlim(0, 1000)  # Adjust as necessary\n",
-    "ax.set_ylim(-150, 150)  # Adjust based on expected distance range\n",
+    "line, = ax.plot([], [], lw=2)\n",
+    "ax.set_xlim(0, 1000)\n",
+    "ax.set_ylim(-150, 150)\n",
     "ax.set_xlabel(\"Simulation Time (steps)\")\n",
     "ax.set_ylabel(\"Charge Flow (nA)\")\n",
     "ax.set_title(\"Ion Current vs. Time\")\n",
     "\n",
-    "# Start the processing thread\n",
     "x_data = np.zeros(144000) \n",
     "y_data = np.zeros(144000)\n",
     "\n",
     "i = 0\n",
     "\n",
-    "timestep = 2.0 # timestep passed to NAMD in conf file\n",
-    "framediff = 1 # IMDfreq\n",
-    "skip = 1 # if any frames need to be skipped\n",
+    "timestep = 2.0 \n",
+    "framediff = 1\n",
+    "skip = 1\n",
     "\n",
     "update_frequency=1\n",
-    "chargeFactor = 1.6022e-19/1.0e-9/1.0e-9   #It's in nanoamps\n",
+    "chargeFactor = 1.6022e-19/1.0e-9/1.0e-9\n",
     "dt = 1.0*timestep*framediff*skip/1.0e6\n",
-    "#ionText = \"name POT CLA CAL SOD LIT CES IOD BRO H11 H21 H31 H41\"\n",
-    "ionText = \"name POT\"\n",
-    "ions = u.select_atoms(ionText)\n",
-    "charge = ions.charges\n",
-    "dims = ions.dimensions\n",
-    "zdist = dims[2]\n",
+    "ionText = \"name POT CLA\"\n",
     "\n",
-    "for t in u.trajectory:\n",
-    "    newPos = ions.positions\n",
-    "    idx = i % 1000\n",
+    "try:\n",
+    "    u = mda.Universe(NAMD_TOPOL, \"imd://localhost:8888\", buffersize = 1000*1024*1024)\n",
+    "    ions = u.select_atoms(ionText)\n",
+    "    charge = ions.charges\n",
+    "    dims = ions.dimensions\n",
+    "    zdist = dims[2]\n",
+    "except Exception as e:\n",
+    "    print(f\"Error during connection: {e}\")\n",
+    "else:\n",
+    "    try:\n",
+    "        for t in u.trajectory:\n",
+    "            newPos = ions.positions\n",
+    "            idx = i % 1000\n",
     "\n",
-    "    if i == 0:\n",
-    "        ionPos = newPos\n",
-    "    else:\n",
-    "        deltas = newPos[:,2]-ionPos[:,2]\n",
-    "        deltas[deltas>zdist/2.] = deltas[deltas>zdist/2.] - zdist\n",
-    "        deltas[deltas<-zdist/2.] = deltas[deltas<-zdist/2.] + zdist\n",
-    "        cd = deltas*charge\n",
-    "        tCur = np.sum(cd)/zdist/dt*chargeFactor\n",
-    "        ionPos = newPos\n",
-    "        time = round(dt * i - dt/2, 4)\n",
-    "        x_data[i] = i + 1\n",
-    "        y_data[i] = tCur\n",
-    "    i = i + 1\n",
+    "            if i == 0:\n",
+    "                ionPos = newPos\n",
+    "            else:\n",
+    "                deltas = newPos[:,2]-ionPos[:,2]\n",
+    "                deltas[deltas>zdist/2.] = deltas[deltas>zdist/2.] - zdist\n",
+    "                deltas[deltas<-zdist/2.] = deltas[deltas<-zdist/2.] + zdist\n",
+    "                cd = deltas*charge\n",
+    "                tCur = np.sum(cd)/zdist/dt*chargeFactor\n",
+    "                ionPos = newPos\n",
+    "                time = round(dt * i - dt/2, 4)\n",
+    "                x_data[i] = i + 1\n",
+    "                y_data[i] = tCur\n",
+    "            i = i + 1\n",
     "\n",
-    "    valid_indices = range(0, idx + 1)\n",
+    "            valid_indices = range(0, idx + 1)\n",
     "\n",
-    "    # Update the plot periodically\n",
-    "    if i % update_frequency == 0:\n",
-    "        line.set_data(x_data[valid_indices], y_data[valid_indices])  # Efficiently update the line with all data\n",
-    "        # ax.set_xlim(0, max(200,max(x_data)+100))  # Adjust X-axis dynamically\n",
-    "        clear_output(wait=True)\n",
-    "        display(fig)"
+    "            if i % update_frequency == 0:\n",
+    "                line.set_data(x_data[valid_indices], y_data[valid_indices])\n",
+    "                clear_output(wait=True)\n",
+    "                display(fig)\n",
+    "    finally:\n",
+    "        u.trajectory.close()"
    ]
   }
  ],