0 mol 0 unq 0 iso 0 dist 6.26831 5.24778 6.64713 9.23213 4.04089 8.34244 numMergedOcc 0
1 mol 9 unq 0 iso 0 dist 7.05346 8.50424 8.076 12.7944 6.81435 9.57198 numMergedOcc 0
2 mol 9 unq 1 iso 0 dist 7.9944 6.02809 6.32226 14.4698 13.6861 9.57198 numMergedOcc 0
3 mol 9 unq 2 iso 0 dist 7.032 4.98827 6.32226 14.4218 13.6861 9.57198 numMergedOcc 0
4 mol 19 unq 0 iso 0 dist 7.48847 6.42867 6.39966 6.00439 6.34272 5.82366 numMergedOcc 0
5 mol 19 unq 1 iso 0 dist 6.92532 4.97119 6.39966 7.82528 6.34272 5.82366 numMergedOcc 0
6 mol 19 unq 2 iso 0 dist 6.36455 6.01808 6.39966 10.2708 6.34272 5.82366 numMergedOcc 0
7 mol 26 unq 0 iso 0 dist 8.44506 10.9837 9.5053 13.2086 14.3325 5.497 numMergedOcc 0
8 mol 58 unq 0 iso 0 dist 7.27383 5.85698 6.62229 10.5905 5.36808 7.6481 numMergedOcc 0
9 mol 58 unq 1 iso 0 dist 7.27383 5.85698 6.62229 6.46761 9.17656 9.11258 numMergedOcc 0
10 mol 73 unq 0 iso 0 dist 7.04044 5.11416 6.48232 8.70133 11.2505 7.10439 numMergedOcc 0
11 mol 73 unq 1 iso 0 dist 8.73253 6.56633 6.48232 4.65521 11.2505 7.10439 numMergedOcc 0
12 mol 76 unq 0 iso 0 dist 7.27693 6.45686 9.75201 8.19682 5.77727 7.03226 numMergedOcc 0
13 mol 85 unq 0 iso 0 dist 8.00777 11.165 8.70863 14.6253 13.7907 6.05495 numMergedOcc 0
14 mol 85 unq 1 iso 0 dist 7.1589 9.29301 8.70863 13.9302 13.7907 6.05495 numMergedOcc 0
15 mol 92 unq 0 iso 0 dist 8.86674 9.66102 7.39179 11.0637 4.76302 6.95465 numMergedOcc 0
16 mol 98 unq 0 iso 0 dist 7.26086 7.06961 8.43352 10.417 13.6622 6.0129 numMergedOcc 0
17 mol 100 unq 0 iso 0 dist 7.12017 9.75737 9.5669 14.448 10.2428 7.09065 numMergedOcc 0
18 mol 114 unq 0 iso 0 dist 6.34525 12.7083 9.35942 10.6048 8.36453 9.83981 numMergedOcc 0
19 mol 114 unq 1 iso 0 dist 6.34525 12.7083 9.35942 11.237 6.22315 6.13559 numMergedOcc 0
20 mol 114 unq 2 iso 0 dist 6.34525 12.7083 9.35942 10.3172 6.18257 6.51395 numMergedOcc 0
21 mol 114 unq 3 iso 0 dist 9.7918 7.12268 7.42482 11.9994 17.1979 9.83981 numMergedOcc 0
22 mol 114 unq 4 iso 0 dist 9.7918 7.12268 7.42482 11.3421 13.0539 6.13559 numMergedOcc 0
23 mol 114 unq 5 iso 0 dist 9.7918 7.12268 7.42482 13.3175 10.4498 6.51395 numMergedOcc 0
24 mol 115 unq 0 iso 0 dist 5.74857 5.22052 8.85881 6.99777 6.03931 5.60389 numMergedOcc 0
25 mol 119 unq 0 iso 0 dist 7.99623 7.45148 9.9151 10.5042 9.0892 7.26955 numMergedOcc 0
26 mol 126 unq 0 iso 0 dist 9.46588 6.0268 5.94233 7.75534 5.83002 7.36017 numMergedOcc 0
27 mol 126 unq 1 iso 0 dist 9.46588 8.01268 8.56219 7.75534 5.83002 5.14819 numMergedOcc 0
28 mol 134 unq 0 iso 0 dist 7.36779 7.1797 9.30061 11.425 8.05714 8.55616 numMergedOcc 0
29 mol 134 unq 1 iso 0 dist 7.36779 7.1797 9.30061 13.0121 9.65798 8.73604 numMergedOcc 0
30 mol 134 unq 2 iso 0 dist 8.20836 4.57832 9.30061 11.2292 8.05714 8.55616 numMergedOcc 0
31 mol 134 unq 3 iso 0 dist 8.20836 4.57832 9.30061 8.79571 9.65798 8.73604 numMergedOcc 0
32 mol 141 unq 0 iso 0 dist 6.69515 7.42649 6.94988 6.93652 8.00633 5.26989 numMergedOcc 0
33 mol 141 unq 1 iso 0 dist 7.86572 9.43674 6.94988 11.8898 8.00633 5.26989 numMergedOcc 0
34 mol 156 unq 0 iso 0 dist 5.38091 5.81563 7.46845 7.36119 5.33988 6.05323 numMergedOcc 0
35 mol 175 unq 0 iso 0 dist 7.35824 11.8693 5.89564 11.8821 5.95187 5.4997 numMergedOcc 0
36 mol 175 unq 1 iso 0 dist 7.35824 6.77832 5.60528 9.52634 6.05776 8.99988 numMergedOcc 0
37 mol 175 unq 2 iso 0 dist 7.35824 6.77832 5.60528 11.8821 5.95187 6.99693 numMergedOcc 0
38 mol 175 unq 3 iso 0 dist 9.17364 6.77832 5.5995 9.52634 5.85047 8.99988 numMergedOcc 0
39 mol 175 unq 4 iso 0 dist 9.17364 6.77832 5.5995 11.8821 5.46129 6.99693 numMergedOcc 0
40 mol 186 unq 0 iso 0 dist 9.83476 14.4429 7.02575 15.2392 6.20673 8.97471 numMergedOcc 0
41 mol 194 unq 0 iso 0 dist 6.96521 5.43725 7.74683 6.95408 4.05564 9.86703 numMergedOcc 0
42 mol 194 unq 1 iso 0 dist 6.26839 11.6598 5.68348 12.1599 7.69247 8.52969 numMergedOcc 0
43 mol 194 unq 2 iso 0 dist 8.12346 12.0887 5.68348 13.8412 7.69247 8.52969 numMergedOcc 0
44 mol 194 unq 3 iso 0 dist 8.83356 7.11753 5.68348 5.48258 7.69247 8.52969 numMergedOcc 0
45 mol 194 unq 4 iso 0 dist 8.2654 12.8755 5.68348 10.3975 7.69247 8.52969 numMergedOcc 0
46 mol 225 unq 0 iso 0 dist 6.6561 7.17211 8.20162 10.7328 7.13893 7.73748 numMergedOcc 0
47 mol 227 unq 0 iso 0 dist 5.87815 6.67321 7.95359 8.83563 4.3387 9.28891 numMergedOcc 0
48 mol 232 unq 0 iso 0 dist 7.83711 4.9377 6.57921 11.4727 7.0877 7.17337 numMergedOcc 0
49 mol 253 unq 0 iso 0 dist 7.77998 5.78064 8.15091 7.19465 14.5407 9.58354 numMergedOcc 0
50 mol 257 unq 0 iso 0 dist 9.69696 6.74593 9.43042 7.27505 5.04668 8.60481 numMergedOcc 0
