0 mol 8 unq 0 iso 0 dist 8.76702 7.70793 12.1308 14.4127 16.9962 6.82379 numMergedOcc 0
1 mol 8 unq 1 iso 0 dist 8.76702 7.70793 12.1308 12.428 18.3272 6.24978 numMergedOcc 0
2 mol 8 unq 2 iso 0 dist 8.76702 7.70793 12.1308 14.2248 20.6134 9.66439 numMergedOcc 0
3 mol 8 unq 3 iso 0 dist 8.76702 7.70793 12.1308 8.93161 14.0228 7.3915 numMergedOcc 0
4 mol 8 unq 4 iso 0 dist 6.27477 7.70793 5.02333 14.4127 9.88063 6.82379 numMergedOcc 0
5 mol 8 unq 5 iso 0 dist 6.27477 7.70793 5.02333 12.428 11.0287 6.24978 numMergedOcc 0
6 mol 8 unq 6 iso 0 dist 6.27477 7.70793 5.02333 14.2248 14.5532 9.66439 numMergedOcc 0
7 mol 8 unq 7 iso 0 dist 6.27477 7.70793 5.02333 8.93161 10.5239 7.3915 numMergedOcc 0
8 mol 25 unq 0 iso 0 dist 7.0928 6.98291 9.20601 6.32132 5.04899 6.6492 numMergedOcc 0
9 mol 43 unq 0 iso 0 dist 9.16827 9.32155 5.48048 7.23774 5.73819 8.44903 numMergedOcc 0
10 mol 44 unq 0 iso 0 dist 8.59022 5.06773 9.9817 9.6925 15.1066 7.52117 numMergedOcc 0
11 mol 44 unq 1 iso 0 dist 8.54284 8.2444 9.9817 14.7948 15.1066 7.52117 numMergedOcc 0
12 mol 53 unq 0 iso 0 dist 7.80805 7.61675 8.64107 12.1831 12.3257 7.09169 numMergedOcc 0
13 mol 58 unq 0 iso 0 dist 7.04193 9.57633 7.40296 6.58144 10.3988 7.27383 numMergedOcc 0
14 mol 58 unq 1 iso 0 dist 7.15486 9.57633 6.37648 6.58144 6.64012 7.27383 numMergedOcc 0
15 mol 58 unq 2 iso 0 dist 8.52969 9.57633 15.935 6.58144 13.4544 7.27383 numMergedOcc 0
16 mol 92 unq 0 iso 0 dist 8.22406 8.99661 7.24315 5.41023 9.64443 6.61823 numMergedOcc 0
17 mol 112 unq 0 iso 0 dist 7.63658 5.82495 11.7428 5.43987 11.438 7.23962 numMergedOcc 0
18 mol 112 unq 1 iso 0 dist 7.63658 5.82495 11.7428 11.3454 17.4583 9.00067 numMergedOcc 0
19 mol 112 unq 2 iso 0 dist 7.63658 5.82495 11.7428 14.3588 19.9708 9.89499 numMergedOcc 0
20 mol 112 unq 3 iso 0 dist 7.63658 5.82495 11.7428 9.7695 13.9719 7.30204 numMergedOcc 0
21 mol 112 unq 4 iso 0 dist 7.65229 5.82495 3.98564 5.43987 9.60462 7.23962 numMergedOcc 0
22 mol 112 unq 5 iso 0 dist 7.65229 5.82495 3.98564 11.3454 11.192 9.00067 numMergedOcc 0
23 mol 112 unq 6 iso 0 dist 7.65229 5.82495 3.98564 14.3588 10.9806 9.89499 numMergedOcc 0
24 mol 112 unq 7 iso 0 dist 7.65229 5.82495 3.98564 9.7695 7.45389 7.30204 numMergedOcc 0
25 mol 119 unq 0 iso 0 dist 8.59784 9.89116 3.78311 9.70986 8.73993 7.77116 numMergedOcc 0
26 mol 189 unq 0 iso 0 dist 9.58744 5.15305 5.4905 6.67182 10.4329 8.56355 numMergedOcc 0
27 mol 205 unq 0 iso 0 dist 7.36642 8.01082 5.28092 4.87114 6.03031 8.44861 numMergedOcc 0
28 mol 205 unq 1 iso 0 dist 7.36642 8.01082 5.28092 9.43922 7.26832 5.60393 numMergedOcc 0
29 mol 214 unq 0 iso 0 dist 9.01896 8.45863 10.2399 11.4345 16.7691 7.05523 numMergedOcc 0
30 mol 214 unq 1 iso 0 dist 9.01896 8.45863 10.2399 7.3913 8.82096 8.46327 numMergedOcc 0
31 mol 238 unq 0 iso 0 dist 9.29203 6.52129 10.7508 5.65307 13.6591 5.52379 numMergedOcc 0
32 mol 238 unq 1 iso 0 dist 7.62771 6.52129 5.87253 5.65307 10.0419 5.52379 numMergedOcc 0
33 mol 238 unq 2 iso 0 dist 7.80166 6.52129 10.7551 5.65307 12.2442 5.52379 numMergedOcc 0
34 mol 276 unq 0 iso 0 dist 7.11272 8.96556 11.3441 11.6308 12.3012 6.70215 numMergedOcc 0
35 mol 276 unq 1 iso 0 dist 7.11272 8.96556 11.3441 14.0743 16.6271 7.25423 numMergedOcc 0
36 mol 276 unq 2 iso 0 dist 7.11272 8.96556 11.3441 15.638 19.1794 7.88706 numMergedOcc 0
37 mol 276 unq 3 iso 0 dist 7.11272 8.96556 11.3441 4.73253 10.1395 7.23916 numMergedOcc 0
38 mol 276 unq 4 iso 0 dist 6.24808 8.96556 13.5875 11.6308 17.3942 6.70215 numMergedOcc 0
39 mol 276 unq 5 iso 0 dist 6.24808 8.96556 13.5875 14.0743 19.7861 7.25423 numMergedOcc 0
40 mol 276 unq 6 iso 0 dist 6.24808 8.96556 13.5875 15.638 20.2348 7.88706 numMergedOcc 0
41 mol 276 unq 7 iso 0 dist 6.24808 8.96556 13.5875 4.73253 10.8211 7.23916 numMergedOcc 0
