0 mol 9 unq 0 iso 0 dist 8.01055 11.8626 6.89519 15.1393 9.00634 4.12238 numMergedOcc 0
1 mol 9 unq 1 iso 0 dist 8.01055 13.1565 5.24341 15.1393 9.00634 6.14105 numMergedOcc 0
2 mol 12 unq 0 iso 0 dist 6.6051 6.98179 9.75368 11.1357 8.18139 8.10227 numMergedOcc 0
3 mol 12 unq 1 iso 0 dist 8.15864 6.9065 9.75368 5.03514 8.18139 8.10227 numMergedOcc 0
4 mol 15 unq 0 iso 0 dist 9.05123 6.09263 6.82187 7.89733 8.83891 6.91314 numMergedOcc 0
5 mol 43 unq 0 iso 0 dist 8.84944 7.95485 9.21978 7.20713 6.57633 6.43237 numMergedOcc 0
6 mol 43 unq 1 iso 0 dist 8.84944 14.9082 8.03754 7.20713 6.57633 8.6477 numMergedOcc 0
7 mol 43 unq 2 iso 0 dist 7.21995 6.80633 9.21978 6.53557 6.57633 6.43237 numMergedOcc 0
8 mol 43 unq 3 iso 0 dist 7.21995 4.80528 8.03754 6.53557 6.57633 8.6477 numMergedOcc 0
9 mol 63 unq 0 iso 0 dist 6.49343 7.01367 5.41831 3.97936 9.06612 7.2184 numMergedOcc 0
10 mol 63 unq 1 iso 0 dist 6.49343 7.01367 5.41831 10.507 6.04797 4.27178 numMergedOcc 0
11 mol 63 unq 2 iso 0 dist 6.49343 7.01367 5.41831 15.191 8.88058 11.6765 numMergedOcc 0
12 mol 63 unq 3 iso 0 dist 9.78739 6.60684 5.41831 11.1699 9.06612 7.2184 numMergedOcc 0
13 mol 63 unq 4 iso 0 dist 9.78739 6.60684 5.41831 5.32214 6.04797 4.27178 numMergedOcc 0
14 mol 63 unq 5 iso 0 dist 9.78739 6.60684 5.41831 11.3685 8.88058 11.6765 numMergedOcc 0
15 mol 64 unq 0 iso 0 dist 5.66803 6.33529 9.15386 7.91421 7.11238 5.49106 numMergedOcc 0
16 mol 64 unq 1 iso 0 dist 8.85416 10.9729 9.15386 5.48409 7.11238 5.49106 numMergedOcc 0
17 mol 66 unq 0 iso 0 dist 8.68658 11.4986 7.3359 5.64923 8.65033 7.69664 numMergedOcc 0
18 mol 66 unq 1 iso 0 dist 8.68658 11.4986 7.3359 4.23816 7.8807 8.09941 numMergedOcc 0
19 mol 73 unq 0 iso 0 dist 8.90896 18.2252 9.41049 11.5216 9.79061 15.6317 numMergedOcc 0
20 mol 105 unq 0 iso 0 dist 6.11833 11.5147 9.94398 11.7553 9.15226 4.4598 numMergedOcc 0
21 mol 105 unq 1 iso 0 dist 7.12201 9.36409 9.94398 8.79469 9.15226 4.4598 numMergedOcc 0
22 mol 115 unq 0 iso 0 dist 9.33293 9.48465 7.9258 5.84634 7.84768 4.48636 numMergedOcc 0
23 mol 127 unq 0 iso 0 dist 5.83719 4.87509 6.5087 7.4454 9.35701 4.89159 numMergedOcc 0
24 mol 152 unq 0 iso 0 dist 9.65031 14.069 8.41774 7.28039 7.94976 7.68889 numMergedOcc 0
25 mol 152 unq 1 iso 0 dist 8.51844 4.46956 8.41774 5.51498 7.94976 7.68889 numMergedOcc 0
26 mol 158 unq 0 iso 0 dist 9.96635 16.6371 9.99005 7.76298 7.68074 10.115 numMergedOcc 0
27 mol 158 unq 1 iso 0 dist 9.96635 16.6371 9.99005 8.17573 9.1854 17.6575 numMergedOcc 0
28 mol 170 unq 0 iso 0 dist 8.10386 12.9081 9.32245 11.6479 9.66676 4.78249 numMergedOcc 0
29 mol 195 unq 0 iso 0 dist 7.2833 5.34788 7.04524 4.79025 9.20541 6.04871 numMergedOcc 0
30 mol 195 unq 1 iso 0 dist 7.2833 5.34788 7.04524 6.01032 6.65077 8.04534 numMergedOcc 0
31 mol 206 unq 0 iso 0 dist 6.52136 5.91558 8.45825 6.86345 8.43994 12.3129 numMergedOcc 0
32 mol 224 unq 0 iso 0 dist 8.8113 16.607 8.80858 6.97024 7.71863 16.3431 numMergedOcc 0
33 mol 226 unq 0 iso 0 dist 8.52996 9.00536 5.90092 4.89645 7.3963 4.75972 numMergedOcc 0
34 mol 236 unq 0 iso 0 dist 8.63249 10.2557 5.90804 15.0178 8.75172 10.5937 numMergedOcc 0
35 mol 236 unq 1 iso 0 dist 7.74348 6.49831 5.90804 7.69003 8.75172 10.5937 numMergedOcc 0
36 mol 243 unq 0 iso 0 dist 4.64178 5.94295 9.35819 6.26525 8.89434 5.62653 numMergedOcc 0
37 mol 243 unq 1 iso 0 dist 9.16988 16.7683 9.35819 16.1398 8.89434 5.62653 numMergedOcc 0
38 mol 244 unq 0 iso 0 dist 7.79787 10.5547 9.21656 8.65358 8.93589 6.1597 numMergedOcc 0
39 mol 271 unq 0 iso 0 dist 9.50884 7.30308 9.42899 15.1078 9.86908 11.7592 numMergedOcc 0
40 mol 277 unq 0 iso 0 dist 6.66936 7.44724 4.81916 5.38166 6.42951 3.97543 numMergedOcc 0
41 mol 277 unq 1 iso 0 dist 8.15119 5.77904 4.81916 6.65084 6.42951 3.97543 numMergedOcc 0
