0 mol 9 unq 0 iso 0 dist 6.51397 9.39983 5.24341 16.7851 13.1565 8.01055 10.6016 6.14105 9.00634 15.1393 numMergedOcc 0
1 mol 12 unq 0 iso 0 dist 7.8865 4.60834 9.75368 4.62913 6.98179 6.6051 9.79847 8.10227 8.18139 11.1357 numMergedOcc 0
2 mol 12 unq 1 iso 0 dist 7.8865 4.60834 9.75368 7.44542 6.9065 8.15864 9.79847 8.10227 8.18139 5.03514 numMergedOcc 0
3 mol 43 unq 0 iso 0 dist 8.38387 4.99287 8.03754 13.404 14.9082 8.84944 10.5843 8.6477 6.57633 7.20713 numMergedOcc 0
4 mol 43 unq 1 iso 0 dist 8.38387 4.99287 8.03754 10.0846 4.80528 7.21995 10.5843 8.6477 6.57633 6.53557 numMergedOcc 0
5 mol 63 unq 0 iso 0 dist 8.94945 3.86843 5.41831 9.1662 7.01367 6.49343 11.9209 7.2184 9.06612 3.97936 numMergedOcc 0
6 mol 63 unq 1 iso 0 dist 8.94945 3.86843 5.41831 9.1662 7.01367 6.49343 8.28839 4.27178 6.04797 10.507 numMergedOcc 0
7 mol 63 unq 2 iso 0 dist 8.94945 3.86843 5.41831 9.1662 7.01367 6.49343 7.07396 11.6765 8.88058 15.191 numMergedOcc 0
8 mol 63 unq 3 iso 0 dist 8.94945 3.86843 5.41831 11.6253 6.60684 9.78739 11.9209 7.2184 9.06612 11.1699 numMergedOcc 0
9 mol 63 unq 4 iso 0 dist 8.94945 3.86843 5.41831 11.6253 6.60684 9.78739 8.28839 4.27178 6.04797 5.32214 numMergedOcc 0
10 mol 63 unq 5 iso 0 dist 8.94945 3.86843 5.41831 11.6253 6.60684 9.78739 7.07396 11.6765 8.88058 11.3685 numMergedOcc 0
11 mol 152 unq 0 iso 0 dist 8.07256 4.81561 8.41774 13.241 14.069 9.65031 9.81212 7.68889 7.94976 7.28039 numMergedOcc 0
12 mol 152 unq 1 iso 0 dist 8.07256 4.81561 8.41774 10.363 4.46956 8.51844 9.81212 7.68889 7.94976 5.51498 numMergedOcc 0
13 mol 224 unq 0 iso 0 dist 8.46129 6.32111 8.80858 12.9254 16.607 8.8113 12.5547 16.3431 7.71863 6.97024 numMergedOcc 0
14 mol 226 unq 0 iso 0 dist 7.117 4.00573 5.90092 11.34 9.00536 8.52996 9.56222 4.75972 7.3963 4.89645 numMergedOcc 0
15 mol 236 unq 0 iso 0 dist 5.66569 4.60599 5.90804 8.20542 10.2557 8.63249 13.0312 10.5937 8.75172 15.0178 numMergedOcc 0
16 mol 236 unq 1 iso 0 dist 5.66569 4.60599 5.90804 9.73914 6.49831 7.74348 13.0312 10.5937 8.75172 7.69003 numMergedOcc 0
17 mol 236 unq 2 iso 0 dist 6.11137 4.24722 5.90804 12.2537 10.2557 8.63249 9.94117 10.5937 8.75172 15.0178 numMergedOcc 0
18 mol 236 unq 3 iso 0 dist 6.11137 4.24722 5.90804 5.6568 6.49831 7.74348 9.94117 10.5937 8.75172 7.69003 numMergedOcc 0
19 mol 244 unq 0 iso 0 dist 7.65388 8.49995 9.21656 14.3026 10.5547 7.79787 9.13494 6.1597 8.93589 8.65358 numMergedOcc 0
20 mol 271 unq 0 iso 0 dist 9.56149 5.60228 9.42899 6.75395 7.30308 9.50884 14.8472 11.7592 9.86908 15.1078 numMergedOcc 0
21 mol 277 unq 0 iso 0 dist 9.29635 12.5633 4.81916 16.5458 7.44724 6.66936 11.7453 3.97543 6.42951 5.38166 numMergedOcc 0
22 mol 277 unq 1 iso 0 dist 9.29635 12.5633 4.81916 6.70414 5.77904 8.15119 11.7453 3.97543 6.42951 6.65084 numMergedOcc 0
