0 mol 64 unq 0 iso 0 dist 5.66803 5.54343 5.9853 7.89535 13.034 9.10915 11.6449 14.9176 9.21892 7.02352 numMergedOcc 0
1 mol 67 unq 0 iso 0 dist 8.27009 8.64208 13.0612 8.8254 15.268 6.99398 10.5313 16.5099 4.52996 7.96 numMergedOcc 0
2 mol 67 unq 1 iso 0 dist 5.80736 8.64208 11.8891 8.8254 14.0839 6.99398 10.5313 12.9776 4.52996 7.96 numMergedOcc 0
3 mol 87 unq 0 iso 0 dist 9.90256 5.26938 5.30415 5.38943 14.3873 9.1329 11.099 14.5162 10.5639 9.33217 numMergedOcc 0
4 mol 87 unq 1 iso 0 dist 9.90256 5.26938 5.30415 5.38943 14.3873 9.1329 8.91602 11.2095 7.40574 9.03114 numMergedOcc 0
5 mol 87 unq 2 iso 0 dist 9.90256 8.91602 11.2095 5.38943 14.3873 9.03114 5.26938 5.30415 7.40574 9.1329 numMergedOcc 0
6 mol 87 unq 3 iso 0 dist 9.90256 8.91602 11.2095 5.38943 14.3873 9.03114 11.099 14.5162 11.1798 9.33217 numMergedOcc 0
7 mol 87 unq 4 iso 0 dist 7.57471 6.8014 5.30415 11.9011 14.3873 9.1329 16.6393 14.5162 10.5639 9.33217 numMergedOcc 0
8 mol 87 unq 5 iso 0 dist 7.57471 6.8014 5.30415 11.9011 14.3873 9.1329 11.835 11.2095 7.40574 9.03114 numMergedOcc 0
9 mol 87 unq 6 iso 0 dist 7.57471 6.8014 5.30415 6.69898 9.90256 5.26938 11.835 11.2095 7.40574 8.91602 numMergedOcc 0
10 mol 87 unq 7 iso 0 dist 5.62336 9.1329 5.507 5.38943 5.63748 5.26938 9.03114 7.26523 7.40574 8.91602 numMergedOcc 0
11 mol 87 unq 8 iso 0 dist 5.62336 9.03114 7.26523 5.38943 5.63748 8.91602 9.1329 5.507 7.40574 5.26938 numMergedOcc 0
12 mol 87 unq 9 iso 0 dist 5.63748 5.26938 5.507 5.38943 5.62336 9.1329 11.099 5.76272 10.5639 9.33217 numMergedOcc 0
13 mol 87 unq 10 iso 0 dist 5.63748 5.26938 5.507 5.38943 5.62336 9.1329 8.91602 7.26523 7.40574 9.03114 numMergedOcc 0
14 mol 87 unq 11 iso 0 dist 5.63748 8.91602 7.26523 5.38943 5.62336 9.03114 5.26938 5.507 7.40574 9.1329 numMergedOcc 0
15 mol 87 unq 12 iso 0 dist 5.63748 8.91602 7.26523 5.38943 5.62336 9.03114 11.099 5.76272 11.1798 9.33217 numMergedOcc 0
16 mol 115 unq 0 iso 0 dist 8.80824 6.09472 6.80053 9.38788 15.205 8.93552 12.9952 16.7934 10.2788 8.35604 numMergedOcc 0
17 mol 115 unq 1 iso 0 dist 8.80824 6.09472 6.80053 5.54133 11.8022 6.20658 12.9952 16.7934 10.2788 7.83568 numMergedOcc 0
18 mol 115 unq 2 iso 0 dist 9.67606 6.09472 4.45342 9.38788 12.907 8.93552 12.9952 11.8582 10.2788 8.35604 numMergedOcc 0
19 mol 115 unq 3 iso 0 dist 9.67606 6.09472 4.45342 5.54133 9.41083 6.20658 12.9952 11.8582 10.2788 7.83568 numMergedOcc 0
20 mol 115 unq 4 iso 0 dist 9.41083 6.20658 4.45342 7.12394 12.907 8.93552 7.83568 11.8582 10.2788 8.35604 numMergedOcc 0
21 mol 115 unq 5 iso 0 dist 9.41083 7.83568 11.8582 7.12394 12.907 8.35604 6.20658 4.45342 10.2788 8.93552 numMergedOcc 0
22 mol 132 unq 0 iso 0 dist 6.94745 6.495 5.28089 11.8902 10.9107 6.2403 9.43748 4.50065 4.35917 8.34869 numMergedOcc 0
23 mol 132 unq 1 iso 0 dist 6.94745 9.43748 4.50065 11.8902 10.9107 8.34869 6.495 5.28089 4.35917 6.2403 numMergedOcc 0
24 mol 162 unq 0 iso 0 dist 7.30751 8.15223 7.87851 10.9385 11.9611 8.06091 10.282 6.22059 10.4637 9.89142 numMergedOcc 0
25 mol 220 unq 0 iso 0 dist 9.86144 9.58343 12.2765 6.99846 6.39087 7.30244 12.0159 13.2427 6.89336 7.29796 numMergedOcc 0
26 mol 230 unq 0 iso 0 dist 9.24729 8.33847 12.2372 5.96129 14.8863 9.12305 10.6587 14.9881 5.46301 9.30906 numMergedOcc 0
27 mol 240 unq 0 iso 0 dist 7.19218 6.83069 5.36005 12.4409 10.5367 6.01168 9.30995 4.4564 4.28414 7.72928 numMergedOcc 0
28 mol 240 unq 1 iso 0 dist 7.19218 9.30995 4.4564 12.4409 10.5367 7.72928 6.83069 5.36005 4.28414 6.01168 numMergedOcc 0
29 mol 258 unq 0 iso 0 dist 8.10903 8.81059 5.90131 7.64421 11.866 7.9357 9.12006 9.68064 5.30627 5.79537 numMergedOcc 0
30 mol 258 unq 1 iso 0 dist 8.10903 9.12006 9.68064 7.64421 11.866 5.79537 8.81059 5.90131 5.30627 7.9357 numMergedOcc 0
31 mol 258 unq 2 iso 0 dist 8.70193 7.9357 4.51422 7.64421 7.25618 8.81059 17.1491 15.0574 17.2075 9.67877 numMergedOcc 0
32 mol 258 unq 3 iso 0 dist 8.70193 7.9357 4.51422 7.64421 7.25618 8.81059 5.79537 4.99997 5.30627 9.12006 numMergedOcc 0
33 mol 258 unq 4 iso 0 dist 8.70193 5.79537 4.99997 7.64421 7.25618 9.12006 17.1491 15.0574 18.4031 9.67877 numMergedOcc 0
34 mol 258 unq 5 iso 0 dist 8.70193 5.79537 4.99997 7.64421 7.25618 9.12006 7.9357 4.51422 5.30627 8.81059 numMergedOcc 0
35 mol 258 unq 6 iso 0 dist 7.25618 8.81059 4.51422 7.64421 8.70193 7.9357 9.12006 4.99997 5.30627 5.79537 numMergedOcc 0
36 mol 258 unq 7 iso 0 dist 7.25618 9.12006 4.99997 7.64421 8.70193 5.79537 8.81059 4.51422 5.30627 7.9357 numMergedOcc 0
37 mol 284 unq 0 iso 0 dist 7.66585 7.35866 7.26724 8.53089 13.0301 7.2795 7.32482 5.44847 5.87439 9.41428 numMergedOcc 0
38 mol 284 unq 1 iso 0 dist 7.66585 7.32482 5.44847 8.53089 13.0301 9.41428 7.35866 7.26724 5.87439 7.2795 numMergedOcc 0
39 mol 284 unq 2 iso 0 dist 7.66585 7.32482 5.44847 9.79667 10.6854 8.08993 10.9927 13.8726 13.5089 7.34344 numMergedOcc 0
40 mol 284 unq 3 iso 0 dist 7.74965 8.08993 4.76222 13.5143 14.0825 9.41428 13.262 10.0891 5.87439 7.2795 numMergedOcc 0
41 mol 284 unq 4 iso 0 dist 7.74965 8.08993 4.76222 9.79667 10.7421 7.32482 13.262 10.0891 5.87439 7.35866 numMergedOcc 0
