0 mol 12 unq 0 iso 0 dist 4.62913 7.8865 6.98179 4.60834 6.6051 9.75368 numMergedOcc 0
1 mol 12 unq 1 iso 0 dist 7.44542 7.8865 6.9065 4.60834 8.15864 9.75368 numMergedOcc 0
2 mol 63 unq 0 iso 0 dist 9.1662 8.94945 7.01367 3.86843 6.49343 5.41831 numMergedOcc 0
3 mol 68 unq 0 iso 0 dist 5.73908 7.51075 13.0823 9.89879 13.8493 7.89424 numMergedOcc 0
4 mol 68 unq 1 iso 0 dist 6.77421 7.51075 5.31976 9.89879 11.9706 7.89424 numMergedOcc 0
5 mol 69 unq 0 iso 0 dist 5.69055 5.47319 7.76775 4.2124 9.70906 7.25721 numMergedOcc 0
6 mol 75 unq 0 iso 0 dist 5.01633 6.95595 5.56574 4.18109 8.25597 9.20448 numMergedOcc 0
7 mol 75 unq 1 iso 0 dist 5.01633 6.95595 5.56574 4.01868 4.76466 6.96759 numMergedOcc 0
8 mol 75 unq 2 iso 0 dist 5.01633 6.95595 5.56574 6.54389 8.67172 6.97318 numMergedOcc 0
9 mol 85 unq 0 iso 0 dist 7.61312 6.58793 3.85308 11.4201 12.4413 9.67557 numMergedOcc 0
10 mol 95 unq 0 iso 0 dist 9.02302 9.65047 13.209 16.8321 20.1786 9.64673 numMergedOcc 0
11 mol 101 unq 0 iso 0 dist 7.22737 5.22543 4.51951 6.01775 7.1859 8.65215 numMergedOcc 0
12 mol 129 unq 0 iso 0 dist 7.13958 9.28278 4.80675 4.74644 7.6453 8.00624 numMergedOcc 0
13 mol 129 unq 1 iso 0 dist 7.13958 8.78082 7.01358 4.74644 7.6453 8.42289 numMergedOcc 0
14 mol 133 unq 0 iso 0 dist 4.69402 5.86531 6.25005 4.98521 9.38308 9.47554 numMergedOcc 0
15 mol 176 unq 0 iso 0 dist 6.9705 9.66407 5.17719 4.84752 7.98755 8.93118 numMergedOcc 0
16 mol 187 unq 0 iso 0 dist 5.82577 9.36086 4.98423 10.7172 5.58167 6.82787 numMergedOcc 0
17 mol 205 unq 0 iso 0 dist 7.97183 5.96555 4.25942 4.12904 9.46554 8.52924 numMergedOcc 0
18 mol 229 unq 0 iso 0 dist 5.75755 7.10634 6.73193 3.99138 7.39596 9.40032 numMergedOcc 0
19 mol 236 unq 0 iso 0 dist 8.20542 5.66569 10.2557 4.60599 8.63249 5.90804 numMergedOcc 0
20 mol 236 unq 1 iso 0 dist 5.6568 6.11137 6.49831 4.24722 7.74348 5.90804 numMergedOcc 0
21 mol 258 unq 0 iso 0 dist 9.52903 5.73834 9.78068 5.66907 8.10903 9.04358 numMergedOcc 0
22 mol 271 unq 0 iso 0 dist 9.80493 9.56149 9.63302 5.60228 13.9636 9.42899 numMergedOcc 0
23 mol 271 unq 1 iso 0 dist 6.75395 9.56149 7.30308 5.60228 9.50884 9.42899 numMergedOcc 0
24 mol 274 unq 0 iso 0 dist 6.28023 8.49076 7.23876 5.02003 9.34051 8.88221 numMergedOcc 0
25 mol 274 unq 1 iso 0 dist 6.28023 8.49076 7.23876 12.6116 15.5776 9.65027 numMergedOcc 0
26 mol 277 unq 0 iso 0 dist 6.70414 9.29635 5.77904 12.5633 8.15119 4.81916 numMergedOcc 0
27 mol 287 unq 0 iso 0 dist 7.47179 7.26542 5.10722 6.53276 6.45597 9.32175 numMergedOcc 0
28 mol 288 unq 0 iso 0 dist 7.47179 7.26542 5.10722 6.53276 6.45597 9.32175 numMergedOcc 0
29 mol 289 unq 0 iso 0 dist 7.47179 7.26542 5.10722 6.53276 6.45597 9.32175 numMergedOcc 0
30 mol 293 unq 0 iso 0 dist 6.97887 6.27435 11.4201 6.74585 10.6176 5.44043 numMergedOcc 0
31 mol 293 unq 1 iso 0 dist 6.97887 6.27435 11.4201 4.13058 9.55759 9.25564 numMergedOcc 0
32 mol 293 unq 2 iso 0 dist 4.66962 6.27435 9.51167 6.74585 11.0368 5.44043 numMergedOcc 0
33 mol 293 unq 3 iso 0 dist 4.66962 6.27435 9.51167 4.13058 6.52889 9.25564 numMergedOcc 0
34 mol 293 unq 4 iso 0 dist 6.04186 6.27435 5.66805 6.74585 4.72125 5.44043 numMergedOcc 0
35 mol 293 unq 5 iso 0 dist 6.04186 6.27435 5.66805 4.13058 9.91172 9.25564 numMergedOcc 0
