0 mol 0 unq 0 iso 0 dist 6.8892 5.55156 5.85361 6.82018 13.3928 9.5614 7.1599 11.788 7.15528 5.25456 numMergedOcc 0
1 mol 64 unq 0 iso 0 dist 8.86433 9.10915 14.8927 6.90646 15.1231 8.66921 9.73304 16.8033 9.67592 10.8918 numMergedOcc 0
2 mol 64 unq 1 iso 0 dist 8.86433 9.10915 14.8927 7.89535 15.9783 5.54343 9.73304 16.8033 9.67592 5.59762 numMergedOcc 0
3 mol 64 unq 2 iso 0 dist 5.66803 5.54343 5.9853 7.89535 13.034 9.10915 5.59762 9.21546 9.67592 9.73304 numMergedOcc 0
4 mol 64 unq 3 iso 0 dist 5.66803 5.54343 5.9853 6.36389 10.2564 8.66921 5.59762 9.21546 9.67592 10.8918 numMergedOcc 0
5 mol 73 unq 0 iso 0 dist 8.90896 5.79954 4.78435 8.4863 10.6837 7.01889 12.8388 11.6724 9.96396 15.0744 numMergedOcc 0
6 mol 73 unq 1 iso 0 dist 8.90896 5.79954 4.78435 8.4863 10.6837 7.01889 9.65653 14.5091 9.75218 8.11922 numMergedOcc 0
7 mol 73 unq 2 iso 0 dist 8.90896 5.79954 4.78435 8.4863 10.6837 7.01889 14.1415 10.2786 9.38498 7.9573 numMergedOcc 0
8 mol 76 unq 0 iso 0 dist 7.48127 4.83274 10.6009 10.5047 11.1162 7.89214 10.2219 14.6364 6.97941 7.74851 numMergedOcc 0
9 mol 115 unq 0 iso 0 dist 8.80824 6.09472 6.80053 9.38788 15.205 8.93552 5.74878 9.70616 4.99221 6.07331 numMergedOcc 0
10 mol 115 unq 1 iso 0 dist 8.80824 6.09472 6.80053 5.54133 11.8022 6.20658 5.74878 9.70616 4.99221 7.09627 numMergedOcc 0
11 mol 115 unq 2 iso 0 dist 9.67606 6.09472 4.45342 9.38788 12.907 8.93552 5.74878 9.28214 4.99221 6.07331 numMergedOcc 0
12 mol 115 unq 3 iso 0 dist 9.67606 6.09472 4.45342 5.54133 9.41083 6.20658 5.74878 9.28214 4.99221 7.09627 numMergedOcc 0
13 mol 115 unq 4 iso 0 dist 9.41083 6.20658 4.45342 5.54133 9.67606 6.09472 7.09627 9.28214 4.99221 5.74878 numMergedOcc 0
14 mol 115 unq 5 iso 0 dist 9.41083 6.20658 4.45342 7.12394 12.907 8.93552 7.09627 9.28214 4.99221 6.07331 numMergedOcc 0
15 mol 115 unq 6 iso 0 dist 9.41083 7.83568 11.8582 7.12394 12.907 8.35604 7.10772 14.3348 5.11551 5.3967 numMergedOcc 0
16 mol 115 unq 7 iso 0 dist 9.41083 7.83568 11.8582 7.12394 12.907 8.35604 11.3906 18.1828 7.11972 11.9798 numMergedOcc 0
17 mol 127 unq 0 iso 0 dist 5.83719 8.62711 11.2447 6.87199 12.452 7.73139 10.345 11.2815 9.30299 11.0785 numMergedOcc 0
18 mol 127 unq 1 iso 0 dist 5.83719 8.62711 11.2447 12.663 16.1534 6.66607 10.345 11.2815 9.30299 8.89539 numMergedOcc 0
19 mol 132 unq 0 iso 0 dist 6.94745 6.495 5.28089 11.8902 10.9107 6.2403 10.0823 11.9102 7.7059 6.04014 numMergedOcc 0
20 mol 214 unq 0 iso 0 dist 7.82201 9.40003 17.1162 17.6476 25.4006 8.68385 16.5528 23.0178 9.65138 10.2443 numMergedOcc 0
21 mol 214 unq 1 iso 0 dist 7.82201 9.40003 17.1162 17.6476 25.4006 8.68385 9.11345 15.2631 7.14453 12.5421 numMergedOcc 0
22 mol 214 unq 2 iso 0 dist 7.82201 9.40003 17.1162 17.6476 25.4006 8.68385 16.922 23.8076 8.85478 9.18071 numMergedOcc 0
23 mol 230 unq 0 iso 0 dist 9.24729 8.33847 12.2372 5.96129 14.8863 9.12305 7.37154 12.8799 6.7547 9.0274 numMergedOcc 0
24 mol 258 unq 0 iso 0 dist 8.10903 8.81059 5.90131 7.64421 11.866 7.9357 9.78068 9.04358 6.42289 8.73372 numMergedOcc 0
25 mol 258 unq 1 iso 0 dist 8.70193 7.9357 4.51422 7.64421 7.25618 8.81059 8.73372 10.0455 6.42289 9.78068 numMergedOcc 0
26 mol 258 unq 2 iso 0 dist 7.25618 8.81059 4.51422 7.64421 8.70193 7.9357 9.78068 10.0455 6.42289 8.73372 numMergedOcc 0
27 mol 261 unq 0 iso 0 dist 7.58385 8.50313 6.88989 4.70691 9.25991 7.6414 13.3163 13.5435 8.45658 13.6041 numMergedOcc 0
28 mol 261 unq 1 iso 0 dist 6.0437 8.50313 4.25662 4.70691 4.85199 7.6414 13.3163 12.1908 8.45658 13.6041 numMergedOcc 0
29 mol 261 unq 2 iso 0 dist 4.85199 7.6414 4.25662 4.70691 6.0437 8.50313 13.6041 12.1908 8.45658 13.3163 numMergedOcc 0
30 mol 261 unq 3 iso 0 dist 9.72159 7.6414 12.864 4.70691 13.9529 8.50313 13.6041 20.1172 8.45658 13.3163 numMergedOcc 0
