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Copy pathmulti_ethanol.pdb
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186 lines (186 loc) · 9.13 KB
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HEADER
TITLE Built with Packmol
REMARK Packmol generated pdb file
REMARK Home-Page: http://m3g.iqm.unicamp.br/packmol
REMARK
HETATM 1 C UNL A 1 8.825 10.598 1.522 1.00 0.00 C
HETATM 2 C UNL A 1 8.437 10.290 2.953 1.00 0.00 C
HETATM 3 O UNL A 1 9.589 9.931 3.702 1.00 0.00 O
HETATM 4 H UNL A 1 7.948 10.887 0.936 1.00 0.00 H
HETATM 5 H UNL A 1 9.293 9.728 1.051 1.00 0.00 H
HETATM 6 H UNL A 1 9.557 11.412 1.487 1.00 0.00 H
HETATM 7 H UNL A 1 7.719 9.466 2.996 1.00 0.00 H
HETATM 8 H UNL A 1 7.985 11.167 3.425 1.00 0.00 H
HETATM 9 H UNL A 1 9.978 9.144 3.284 1.00 0.00 H
HETATM 10 C UNL A 2 0.722 14.182 5.545 1.00 0.00 C
HETATM 11 C UNL A 2 1.085 14.084 4.077 1.00 0.00 C
HETATM 12 O UNL A 2 2.002 13.019 3.873 1.00 0.00 O
HETATM 13 H UNL A 2 0.008 14.992 5.715 1.00 0.00 H
HETATM 14 H UNL A 2 1.615 14.364 6.153 1.00 0.00 H
HETATM 15 H UNL A 2 0.283 13.243 5.897 1.00 0.00 H
HETATM 16 H UNL A 2 1.540 15.013 3.724 1.00 0.00 H
HETATM 17 H UNL A 2 0.193 13.886 3.476 1.00 0.00 H
HETATM 18 H UNL A 2 2.795 13.209 4.402 1.00 0.00 H
HETATM 19 C UNL A 3 6.932 1.562 9.171 1.00 0.00 C
HETATM 20 C UNL A 3 6.273 2.926 9.207 1.00 0.00 C
HETATM 21 O UNL A 3 5.412 3.079 8.088 1.00 0.00 O
HETATM 22 H UNL A 3 7.590 1.427 10.034 1.00 0.00 H
HETATM 23 H UNL A 3 7.520 1.440 8.255 1.00 0.00 H
HETATM 24 H UNL A 3 6.178 0.769 9.173 1.00 0.00 H
HETATM 25 H UNL A 3 7.021 3.723 9.187 1.00 0.00 H
HETATM 26 H UNL A 3 5.673 3.037 10.115 1.00 0.00 H
HETATM 27 H UNL A 3 5.954 2.990 7.286 1.00 0.00 H
HETATM 28 C UNL A 4 12.150 0.703 10.264 1.00 0.00 C
HETATM 29 C UNL A 4 12.567 1.942 11.029 1.00 0.00 C
HETATM 30 O UNL A 4 13.381 1.580 12.134 1.00 0.00 O
HETATM 31 H UNL A 4 11.531 0.969 9.402 1.00 0.00 H
HETATM 32 H UNL A 4 11.585 0.022 10.908 1.00 0.00 H
HETATM 33 H UNL A 4 13.029 0.153 9.912 1.00 0.00 H
HETATM 34 H UNL A 4 11.694 2.487 11.398 1.00 0.00 H
HETATM 35 H UNL A 4 13.146 2.613 10.385 1.00 0.00 H
HETATM 36 H UNL A 4 12.856 0.994 12.706 1.00 0.00 H
HETATM 37 C UNL A 5 8.837 5.975 12.114 1.00 0.00 C
HETATM 38 C UNL A 5 7.980 7.079 12.698 1.00 0.00 C
HETATM 39 O UNL A 5 6.827 7.277 11.893 1.00 0.00 O
HETATM 40 H UNL A 5 9.724 5.805 12.730 1.00 0.00 H
HETATM 41 H UNL A 5 9.157 6.229 11.098 1.00 0.00 H
HETATM 42 H UNL A 5 8.269 5.041 12.045 1.00 0.00 H
HETATM 43 H UNL A 5 8.536 8.019 12.753 1.00 0.00 H
HETATM 44 H UNL A 5 7.650 6.814 13.707 1.00 0.00 H
HETATM 45 H UNL A 5 7.129 7.523 11.002 1.00 0.00 H
HETATM 46 C UNL A 6 12.005 2.559 3.162 1.00 0.00 C
HETATM 47 C UNL A 6 11.292 3.796 3.669 1.00 0.00 C
HETATM 48 O UNL A 6 11.719 4.097 4.989 1.00 0.00 O
HETATM 49 H UNL A 6 11.693 2.323 2.141 1.00 0.00 H
HETATM 50 H UNL A 6 11.793 1.699 3.805 1.00 0.00 H
HETATM 51 H UNL A 6 13.090 2.708 3.175 1.00 0.00 H
HETATM 52 H UNL A 6 10.208 3.648 3.675 1.00 0.00 H
HETATM 53 H UNL A 6 11.519 4.657 3.033 1.00 0.00 H
HETATM 54 H UNL A 6 11.503 3.332 5.549 1.00 0.00 H
HETATM 55 C UNL A 7 13.367 12.258 12.195 1.00 0.00 C
HETATM 56 C UNL A 7 13.887 12.601 10.814 1.00 0.00 C
HETATM 57 O UNL A 7 13.566 11.561 9.902 1.00 0.00 O
HETATM 58 H UNL A 7 13.598 13.057 12.905 1.00 0.00 H
HETATM 59 H UNL A 7 13.812 11.325 12.556 1.00 0.00 H
HETATM 60 H UNL A 7 12.283 12.107 12.173 1.00 0.00 H
HETATM 61 H UNL A 7 14.972 12.736 10.826 1.00 0.00 H
HETATM 62 H UNL A 7 13.428 13.525 10.451 1.00 0.00 H
HETATM 63 H UNL A 7 13.987 10.746 10.226 1.00 0.00 H
HETATM 64 C UNL A 8 9.240 6.691 7.033 1.00 0.00 C
HETATM 65 C UNL A 8 7.901 6.756 6.328 1.00 0.00 C
HETATM 66 O UNL A 8 7.827 5.747 5.330 1.00 0.00 O
HETATM 67 H UNL A 8 9.306 7.456 7.811 1.00 0.00 H
HETATM 68 H UNL A 8 10.060 6.838 6.322 1.00 0.00 H
HETATM 69 H UNL A 8 9.388 5.707 7.490 1.00 0.00 H
HETATM 70 H UNL A 8 7.754 7.730 5.854 1.00 0.00 H
HETATM 71 H UNL A 8 7.086 6.592 7.039 1.00 0.00 H
HETATM 72 H UNL A 8 8.547 5.907 4.697 1.00 0.00 H
HETATM 73 C UNL A 9 7.178 7.642 1.012 1.00 0.00 C
HETATM 74 C UNL A 9 8.573 7.067 1.152 1.00 0.00 C
HETATM 75 O UNL A 9 8.502 5.731 1.628 1.00 0.00 O
HETATM 76 H UNL A 9 7.218 8.668 0.635 1.00 0.00 H
HETATM 77 H UNL A 9 6.659 7.639 1.976 1.00 0.00 H
HETATM 78 H UNL A 9 6.579 7.036 0.325 1.00 0.00 H
HETATM 79 H UNL A 9 9.172 7.658 1.850 1.00 0.00 H
HETATM 80 H UNL A 9 9.082 7.057 0.184 1.00 0.00 H
HETATM 81 H UNL A 9 8.059 5.750 2.493 1.00 0.00 H
HETATM 82 C UNL A 10 14.188 11.907 4.563 1.00 0.00 C
HETATM 83 C UNL A 10 14.080 11.329 3.166 1.00 0.00 C
HETATM 84 O UNL A 10 13.802 9.939 3.236 1.00 0.00 O
HETATM 85 H UNL A 10 14.391 12.981 4.524 1.00 0.00 H
HETATM 86 H UNL A 10 14.989 11.416 5.124 1.00 0.00 H
HETATM 87 H UNL A 10 13.261 11.742 5.121 1.00 0.00 H
HETATM 88 H UNL A 10 15.009 11.475 2.609 1.00 0.00 H
HETATM 89 H UNL A 10 13.267 11.812 2.615 1.00 0.00 H
HETATM 90 H UNL A 10 14.534 9.517 3.717 1.00 0.00 H
CONECT 1 2 4 5 6
CONECT 2 1 3 7 8
CONECT 3 2 9
CONECT 4 1
CONECT 5 1
CONECT 6 1
CONECT 7 2
CONECT 8 2
CONECT 9 3
CONECT 10 11 13 14 15
CONECT 11 10 12 16 17
CONECT 12 11 18
CONECT 13 10
CONECT 14 10
CONECT 15 10
CONECT 16 11
CONECT 17 11
CONECT 18 12
CONECT 19 20 22 23 24
CONECT 20 19 21 25 26
CONECT 21 20 27
CONECT 22 19
CONECT 23 19
CONECT 24 19
CONECT 25 20
CONECT 26 20
CONECT 27 21
CONECT 28 29 31 32 33
CONECT 29 28 30 34 35
CONECT 30 29 36
CONECT 31 28
CONECT 32 28
CONECT 33 28
CONECT 34 29
CONECT 35 29
CONECT 36 30
CONECT 37 38 40 41 42
CONECT 38 37 39 43 44
CONECT 39 38 45
CONECT 40 37
CONECT 41 37
CONECT 42 37
CONECT 43 38
CONECT 44 38
CONECT 45 39
CONECT 46 47 49 50 51
CONECT 47 46 48 52 53
CONECT 48 47 54
CONECT 49 46
CONECT 50 46
CONECT 51 46
CONECT 52 47
CONECT 53 47
CONECT 54 48
CONECT 55 56 58 59 60
CONECT 56 55 57 61 62
CONECT 57 56 63
CONECT 58 55
CONECT 59 55
CONECT 60 55
CONECT 61 56
CONECT 62 56
CONECT 63 57
CONECT 64 65 67 68 69
CONECT 65 64 66 70 71
CONECT 66 65 72
CONECT 67 64
CONECT 68 64
CONECT 69 64
CONECT 70 65
CONECT 71 65
CONECT 72 66
CONECT 73 74 76 77 78
CONECT 74 73 75 79 80
CONECT 75 74 81
CONECT 76 73
CONECT 77 73
CONECT 78 73
CONECT 79 74
CONECT 80 74
CONECT 81 75
CONECT 82 83 85 86 87
CONECT 83 82 84 88 89
CONECT 84 83 90
CONECT 85 82
CONECT 86 82
CONECT 87 82
CONECT 88 83
CONECT 89 83
CONECT 90 84
END