0 mol 12 unq 0 iso 0 dist 4.62913 4.60834 6.6051 7.8865 6.98179 9.75368 numMergedOcc 0
1 mol 12 unq 1 iso 0 dist 7.44542 4.60834 8.15864 7.8865 6.9065 9.75368 numMergedOcc 0
2 mol 33 unq 0 iso 0 dist 8.41842 10.1727 7.44828 13.689 5.7655 9.79966 numMergedOcc 0
3 mol 33 unq 1 iso 0 dist 8.41842 10.1727 7.44828 12.2459 5.62472 5.52992 numMergedOcc 0
4 mol 63 unq 0 iso 0 dist 9.1662 3.86843 6.49343 8.94945 7.01367 5.41831 numMergedOcc 0
5 mol 75 unq 0 iso 0 dist 5.01633 4.18109 8.25597 6.95595 5.56574 9.20448 numMergedOcc 0
6 mol 75 unq 1 iso 0 dist 5.01633 4.01868 4.76466 6.95595 5.56574 6.96759 numMergedOcc 0
7 mol 75 unq 2 iso 0 dist 5.01633 6.54389 8.67172 6.95595 5.56574 6.97318 numMergedOcc 0
8 mol 92 unq 0 iso 0 dist 5.37819 12.1737 8.15664 9.96037 6.09495 7.11695 numMergedOcc 0
9 mol 101 unq 0 iso 0 dist 7.22737 6.01775 7.1859 5.22543 4.51951 8.65215 numMergedOcc 0
10 mol 101 unq 1 iso 0 dist 7.22737 6.01775 7.1859 9.96707 5.82598 9.65097 numMergedOcc 0
11 mol 119 unq 0 iso 0 dist 9.34752 10.0813 5.2184 15.0312 5.82484 9.20041 numMergedOcc 0
12 mol 119 unq 1 iso 0 dist 8.41858 4.62337 5.2184 10.6452 5.82484 9.20041 numMergedOcc 0
13 mol 127 unq 0 iso 0 dist 5.52891 6.87376 5.83719 10.0053 4.87509 6.5087 numMergedOcc 0
14 mol 129 unq 0 iso 0 dist 7.13958 4.74644 7.6453 9.28278 4.80675 8.00624 numMergedOcc 0
15 mol 129 unq 1 iso 0 dist 7.13958 4.74644 7.6453 8.78082 7.01358 8.42289 numMergedOcc 0
16 mol 176 unq 0 iso 0 dist 8.49376 8.23203 7.98755 15.5268 11.6341 8.02366 numMergedOcc 0
17 mol 176 unq 1 iso 0 dist 8.49376 8.23203 7.98755 10.9816 5.17719 8.93118 numMergedOcc 0
18 mol 176 unq 2 iso 0 dist 6.9705 4.84752 7.98755 11.8605 11.6341 8.02366 numMergedOcc 0
19 mol 176 unq 3 iso 0 dist 6.9705 4.84752 7.98755 9.66407 5.17719 8.93118 numMergedOcc 0
20 mol 187 unq 0 iso 0 dist 5.82577 10.7172 5.58167 9.36086 4.98423 6.82787 numMergedOcc 0
21 mol 204 unq 0 iso 0 dist 8.40718 12.4189 6.20044 13.011 6.12296 9.24822 numMergedOcc 0
22 mol 226 unq 0 iso 0 dist 9.5942 4.31761 8.52996 9.18697 9.00536 5.90092 numMergedOcc 0
23 mol 229 unq 0 iso 0 dist 5.75755 3.99138 7.39596 7.10634 6.73193 9.40032 numMergedOcc 0
24 mol 236 unq 0 iso 0 dist 8.20542 4.60599 8.63249 5.66569 10.2557 5.90804 numMergedOcc 0
25 mol 236 unq 1 iso 0 dist 5.6568 4.24722 7.74348 6.11137 6.49831 5.90804 numMergedOcc 0
26 mol 243 unq 0 iso 0 dist 7.93817 9.17097 9.16988 18.1905 16.7683 9.35819 numMergedOcc 0
27 mol 244 unq 0 iso 0 dist 9.53211 4.30655 7.79787 13.4982 10.5547 9.21656 numMergedOcc 0
28 mol 258 unq 0 iso 0 dist 9.17911 15.4705 8.10903 18.9271 9.78068 9.04358 numMergedOcc 0
29 mol 258 unq 1 iso 0 dist 9.52903 5.66907 8.10903 5.73834 9.78068 9.04358 numMergedOcc 0
30 mol 265 unq 0 iso 0 dist 9.81689 10.531 7.52632 12.3755 6.35501 6.45326 numMergedOcc 0
31 mol 271 unq 0 iso 0 dist 6.75395 5.60228 9.50884 9.56149 7.30308 9.42899 numMergedOcc 0
32 mol 274 unq 0 iso 0 dist 6.28023 5.02003 9.34051 8.49076 7.23876 8.88221 numMergedOcc 0
33 mol 277 unq 0 iso 0 dist 6.70414 12.5633 8.15119 9.29635 5.77904 4.81916 numMergedOcc 0
34 mol 280 unq 0 iso 0 dist 6.0218 4.65268 4.45141 9.16248 6.07005 5.41639 numMergedOcc 0
35 mol 280 unq 1 iso 0 dist 6.0218 4.65268 4.45141 9.02427 7.38048 7.96485 numMergedOcc 0
36 mol 287 unq 0 iso 0 dist 7.47179 6.53276 6.45597 7.26542 5.10722 9.32175 numMergedOcc 0
37 mol 288 unq 0 iso 0 dist 7.47179 6.53276 6.45597 7.26542 5.10722 9.32175 numMergedOcc 0
38 mol 289 unq 0 iso 0 dist 7.47179 6.53276 6.45597 7.26542 5.10722 9.32175 numMergedOcc 0
39 mol 293 unq 0 iso 0 dist 7.67909 5.86662 7.41524 10.6063 8.15525 5.44043 numMergedOcc 0
40 mol 293 unq 1 iso 0 dist 6.83404 5.86662 6.42608 10.6063 9.35524 5.44043 numMergedOcc 0
41 mol 293 unq 2 iso 0 dist 4.66962 4.13058 6.52889 6.27435 9.51167 9.25564 numMergedOcc 0
42 mol 293 unq 3 iso 0 dist 6.04186 6.74585 4.72125 6.27435 5.66805 5.44043 numMergedOcc 0
