0 mol 8 unq 0 iso 0 dist 9.95165 15.9496 6.82379 14.678 6.24978 6.94408 numMergedOcc 0
1 mol 8 unq 0 iso 1 dist 9.95165 14.678 6.24978 15.9496 6.82379 6.94408 numMergedOcc 0
2 mol 8 unq 1 iso 0 dist 9.95165 15.9496 6.82379 17.3707 9.66439 11.2508 numMergedOcc 0
3 mol 8 unq 1 iso 1 dist 9.95165 17.3707 9.66439 15.9496 6.82379 11.2508 numMergedOcc 0
4 mol 8 unq 2 iso 0 dist 9.95165 15.9496 6.82379 12.915 7.3915 12.4076 numMergedOcc 0
5 mol 8 unq 2 iso 1 dist 9.95165 12.915 7.3915 15.9496 6.82379 12.4076 numMergedOcc 0
6 mol 8 unq 1 iso 0 dist 9.95165 14.678 6.24978 17.3707 9.66439 5.3787 numMergedOcc 0
7 mol 8 unq 1 iso 1 dist 9.95165 17.3707 9.66439 14.678 6.24978 5.3787 numMergedOcc 0
8 mol 8 unq 2 iso 0 dist 9.95165 14.678 6.24978 12.915 7.3915 9.22548 numMergedOcc 0
9 mol 8 unq 2 iso 1 dist 9.95165 12.915 7.3915 14.678 6.24978 9.22548 numMergedOcc 0
10 mol 8 unq 2 iso 0 dist 9.95165 17.3707 9.66439 12.915 7.3915 7.96511 numMergedOcc 0
11 mol 8 unq 2 iso 1 dist 9.95165 12.915 7.3915 17.3707 9.66439 7.96511 numMergedOcc 0
12 mol 19 unq 0 iso 0 dist 9.23617 11.8354 7.48847 14.4019 6.92532 10.8007 numMergedOcc 0
13 mol 19 unq 0 iso 1 dist 9.23617 14.4019 6.92532 11.8354 7.48847 10.8007 numMergedOcc 0
14 mol 19 unq 1 iso 0 dist 9.23617 11.8354 7.48847 10.38 6.36455 10.6598 numMergedOcc 0
15 mol 19 unq 1 iso 1 dist 9.23617 10.38 6.36455 11.8354 7.48847 10.6598 numMergedOcc 0
16 mol 19 unq 1 iso 0 dist 9.23617 14.4019 6.92532 10.38 6.36455 5.03957 numMergedOcc 0
17 mol 19 unq 1 iso 1 dist 9.23617 10.38 6.36455 14.4019 6.92532 5.03957 numMergedOcc 0
18 mol 19 unq 2 iso 0 dist 8.59114 5.67097 7.48847 14.3476 6.92532 10.8007 numMergedOcc 0
19 mol 19 unq 2 iso 1 dist 8.59114 14.3476 6.92532 5.67097 7.48847 10.8007 numMergedOcc 0
20 mol 19 unq 3 iso 0 dist 8.59114 5.67097 7.48847 12.7 6.36455 10.6598 numMergedOcc 0
21 mol 19 unq 3 iso 1 dist 8.59114 12.7 6.36455 5.67097 7.48847 10.6598 numMergedOcc 0
22 mol 19 unq 3 iso 0 dist 8.59114 14.3476 6.92532 12.7 6.36455 5.03957 numMergedOcc 0
23 mol 19 unq 3 iso 1 dist 8.59114 12.7 6.36455 14.3476 6.92532 5.03957 numMergedOcc 0
24 mol 19 unq 4 iso 0 dist 8.63204 15.2051 7.48847 6.57145 6.92532 10.8007 numMergedOcc 0
25 mol 19 unq 4 iso 1 dist 8.63204 6.57145 6.92532 15.2051 7.48847 10.8007 numMergedOcc 0
26 mol 19 unq 5 iso 0 dist 8.63204 15.2051 7.48847 6.01189 6.36455 10.6598 numMergedOcc 0
27 mol 19 unq 5 iso 1 dist 8.63204 6.01189 6.36455 15.2051 7.48847 10.6598 numMergedOcc 0
28 mol 19 unq 5 iso 0 dist 8.63204 6.57145 6.92532 6.01189 6.36455 5.03957 numMergedOcc 0
29 mol 19 unq 5 iso 1 dist 8.63204 6.01189 6.36455 6.57145 6.92532 5.03957 numMergedOcc 0
30 mol 24 unq 0 iso 0 dist 4.61828 9.20254 6.60423 8.8926 7.83786 7.05502 numMergedOcc 0
31 mol 24 unq 0 iso 1 dist 4.61828 8.8926 7.83786 9.20254 6.60423 7.05502 numMergedOcc 0
32 mol 60 unq 0 iso 0 dist 7.4674 12.6215 9.96399 12.7297 7.55695 7.29309 numMergedOcc 0
33 mol 60 unq 0 iso 1 dist 7.4674 12.7297 7.55695 12.6215 9.96399 7.29309 numMergedOcc 0
34 mol 60 unq 1 iso 0 dist 7.4674 12.6215 9.96399 14.5723 8.82176 12.2509 numMergedOcc 0
35 mol 60 unq 1 iso 1 dist 7.4674 14.5723 8.82176 12.6215 9.96399 12.2509 numMergedOcc 0
36 mol 60 unq 1 iso 0 dist 7.4674 12.7297 7.55695 14.5723 8.82176 5.00018 numMergedOcc 0
37 mol 60 unq 1 iso 1 dist 7.4674 14.5723 8.82176 12.7297 7.55695 5.00018 numMergedOcc 0
38 mol 60 unq 2 iso 0 dist 8.4928 5.09908 9.96399 10.0675 7.55695 7.29309 numMergedOcc 0
39 mol 60 unq 2 iso 1 dist 8.4928 10.0675 7.55695 5.09908 9.96399 7.29309 numMergedOcc 0
40 mol 60 unq 3 iso 0 dist 8.4928 5.09908 9.96399 14.3334 8.82176 12.2509 numMergedOcc 0
41 mol 60 unq 3 iso 1 dist 8.4928 14.3334 8.82176 5.09908 9.96399 12.2509 numMergedOcc 0
42 mol 60 unq 3 iso 0 dist 8.4928 10.0675 7.55695 14.3334 8.82176 5.00018 numMergedOcc 0
43 mol 60 unq 3 iso 1 dist 8.4928 14.3334 8.82176 10.0675 7.55695 5.00018 numMergedOcc 0
44 mol 65 unq 0 iso 0 dist 5.12044 5.05869 5.69971 6.13504 9.83239 9.20128 numMergedOcc 0
45 mol 65 unq 0 iso 1 dist 5.12044 6.13504 9.83239 5.05869 5.69971 9.20128 numMergedOcc 0
46 mol 65 unq 1 iso 0 dist 5.12044 5.05869 5.69971 5.38234 8.37515 10.2941 numMergedOcc 0
47 mol 65 unq 1 iso 1 dist 5.12044 5.38234 8.37515 5.05869 5.69971 10.2941 numMergedOcc 0
48 mol 65 unq 1 iso 0 dist 5.12044 6.13504 9.83239 5.38234 8.37515 8.06868 numMergedOcc 0
49 mol 65 unq 1 iso 1 dist 5.12044 5.38234 8.37515 6.13504 9.83239 8.06868 numMergedOcc 0
50 mol 109 unq 0 iso 0 dist 9.08671 13.2962 8.67766 10.223 8.0831 6.48636 numMergedOcc 0
51 mol 109 unq 0 iso 1 dist 9.08671 10.223 8.0831 13.2962 8.67766 6.48636 numMergedOcc 0
52 mol 112 unq 0 iso 0 dist 7.35503 10.0299 7.23962 9.13496 9.00067 7.03147 numMergedOcc 0
53 mol 112 unq 0 iso 1 dist 7.35503 9.13496 9.00067 10.0299 7.23962 7.03147 numMergedOcc 0
54 mol 112 unq 1 iso 0 dist 7.35503 10.0299 7.23962 10.1793 9.89499 11.4954 numMergedOcc 0
55 mol 112 unq 1 iso 1 dist 7.35503 10.1793 9.89499 10.0299 7.23962 11.4954 numMergedOcc 0
56 mol 112 unq 2 iso 0 dist 7.35503 10.0299 7.23962 11.5698 7.30204 7.05226 numMergedOcc 0
57 mol 112 unq 2 iso 1 dist 7.35503 11.5698 7.30204 10.0299 7.23962 7.05226 numMergedOcc 0
58 mol 112 unq 1 iso 0 dist 7.35503 9.13496 9.00067 10.1793 9.89499 5.54347 numMergedOcc 0
59 mol 112 unq 1 iso 1 dist 7.35503 10.1793 9.89499 9.13496 9.00067 5.54347 numMergedOcc 0
60 mol 112 unq 2 iso 0 dist 7.35503 9.13496 9.00067 11.5698 7.30204 5.56241 numMergedOcc 0
61 mol 112 unq 2 iso 1 dist 7.35503 11.5698 7.30204 9.13496 9.00067 5.56241 numMergedOcc 0
62 mol 112 unq 2 iso 0 dist 7.35503 10.1793 9.89499 11.5698 7.30204 6.77737 numMergedOcc 0
63 mol 112 unq 2 iso 1 dist 7.35503 11.5698 7.30204 10.1793 9.89499 6.77737 numMergedOcc 0
64 mol 112 unq 3 iso 0 dist 8.79543 11.7503 7.23962 8.0952 9.00067 7.03147 numMergedOcc 0
65 mol 112 unq 3 iso 1 dist 8.79543 8.0952 9.00067 11.7503 7.23962 7.03147 numMergedOcc 0
66 mol 112 unq 4 iso 0 dist 8.79543 11.7503 7.23962 7.12714 9.89499 11.4954 numMergedOcc 0
67 mol 112 unq 4 iso 1 dist 8.79543 7.12714 9.89499 11.7503 7.23962 11.4954 numMergedOcc 0
68 mol 112 unq 5 iso 0 dist 8.79543 11.7503 7.23962 10.886 7.30204 7.05226 numMergedOcc 0
69 mol 112 unq 5 iso 1 dist 8.79543 10.886 7.30204 11.7503 7.23962 7.05226 numMergedOcc 0
70 mol 112 unq 4 iso 0 dist 8.79543 8.0952 9.00067 7.12714 9.89499 5.54347 numMergedOcc 0
71 mol 112 unq 4 iso 1 dist 8.79543 7.12714 9.89499 8.0952 9.00067 5.54347 numMergedOcc 0
72 mol 112 unq 5 iso 0 dist 8.79543 8.0952 9.00067 10.886 7.30204 5.56241 numMergedOcc 0
73 mol 112 unq 5 iso 1 dist 8.79543 10.886 7.30204 8.0952 9.00067 5.56241 numMergedOcc 0
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75 mol 112 unq 5 iso 1 dist 8.79543 10.886 7.30204 7.12714 9.89499 6.77737 numMergedOcc 0
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77 mol 112 unq 6 iso 1 dist 6.48223 8.19562 9.00067 10.626 7.23962 7.03147 numMergedOcc 0
78 mol 112 unq 7 iso 0 dist 6.48223 10.626 7.23962 5.71097 9.89499 11.4954 numMergedOcc 0
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80 mol 112 unq 8 iso 0 dist 6.48223 10.626 7.23962 5.27363 7.30204 7.05226 numMergedOcc 0
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87 mol 112 unq 8 iso 1 dist 6.48223 5.27363 7.30204 5.71097 9.89499 6.77737 numMergedOcc 0
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100 mol 186 unq 1 iso 0 dist 4.97005 11.3961 9.56197 9.14781 8.64409 8.04815 numMergedOcc 0
101 mol 186 unq 1 iso 1 dist 4.97005 9.14781 8.64409 11.3961 9.56197 8.04815 numMergedOcc 0
102 mol 186 unq 2 iso 0 dist 4.97005 11.3961 9.56197 6.69897 7.60202 5.92513 numMergedOcc 0
103 mol 186 unq 2 iso 1 dist 4.97005 6.69897 7.60202 11.3961 9.56197 5.92513 numMergedOcc 0
104 mol 186 unq 1 iso 0 dist 4.97005 10.0248 7.24795 9.14781 8.64409 13.684 numMergedOcc 0
105 mol 186 unq 1 iso 1 dist 4.97005 9.14781 8.64409 10.0248 7.24795 13.684 numMergedOcc 0
106 mol 186 unq 2 iso 0 dist 4.97005 10.0248 7.24795 6.69897 7.60202 9.45987 numMergedOcc 0
107 mol 186 unq 2 iso 1 dist 4.97005 6.69897 7.60202 10.0248 7.24795 9.45987 numMergedOcc 0
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111 mol 194 unq 0 iso 1 dist 8.63008 15.3582 8.12346 13.445 6.26839 8.0179 numMergedOcc 0
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113 mol 194 unq 1 iso 1 dist 8.63008 10.977 8.83356 13.445 6.26839 14.6506 numMergedOcc 0
114 mol 194 unq 2 iso 0 dist 8.63008 13.445 6.26839 16.6746 8.2654 8.48054 numMergedOcc 0
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117 mol 194 unq 1 iso 1 dist 8.63008 10.977 8.83356 15.3582 8.12346 13.5632 numMergedOcc 0
118 mol 194 unq 2 iso 0 dist 8.63008 15.3582 8.12346 16.6746 8.2654 6.26298 numMergedOcc 0
119 mol 194 unq 2 iso 1 dist 8.63008 16.6746 8.2654 15.3582 8.12346 6.26298 numMergedOcc 0
120 mol 194 unq 2 iso 0 dist 8.63008 10.977 8.83356 16.6746 8.2654 11.6097 numMergedOcc 0
121 mol 194 unq 2 iso 1 dist 8.63008 16.6746 8.2654 10.977 8.83356 11.6097 numMergedOcc 0
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127 mol 207 unq 1 iso 1 dist 9.22778 15.6632 7.96797 7.53149 8.32218 11.0921 numMergedOcc 0
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129 mol 214 unq 0 iso 1 dist 8.91471 3.99247 8.46327 13.193 7.05523 12.7897 numMergedOcc 0
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139 mol 229 unq 0 iso 1 dist 9.3376 11.6366 8.08082 12.696 8.92743 6.94172 numMergedOcc 0
140 mol 229 unq 1 iso 0 dist 9.3376 12.696 8.92743 6.44004 5.77318 7.0298 numMergedOcc 0
141 mol 229 unq 1 iso 1 dist 9.3376 6.44004 5.77318 12.696 8.92743 7.0298 numMergedOcc 0
142 mol 229 unq 2 iso 0 dist 9.3376 12.696 8.92743 10.442 8.19603 15.7694 numMergedOcc 0
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145 mol 229 unq 1 iso 1 dist 9.3376 6.44004 5.77318 11.6366 8.08082 5.5729 numMergedOcc 0
146 mol 229 unq 2 iso 0 dist 9.3376 11.6366 8.08082 10.442 8.19603 11.3041 numMergedOcc 0
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161 mol 279 unq 0 iso 1 dist 8.84798 7.7504 6.43341 13.8061 8.29305 6.67478 numMergedOcc 0
