0 mol 16 unq 0 iso 0 dist 6.95078 6.61114 4.91539 6.50294 8.79766 4.86568 10.212 11.4868 6.62144 5.39089 numMergedOcc 0
1 mol 16 unq 1 iso 0 dist 6.95078 6.75381 7.30592 5.50193 10.0884 4.7319 10.3873 13.134 6.72833 6.51133 numMergedOcc 0
2 mol 25 unq 0 iso 0 dist 9.58408 8.50987 16.4918 6.44262 16.0118 6.03987 4.95472 12.6444 6.85556 5.68392 numMergedOcc 0
3 mol 102 unq 0 iso 0 dist 7.58293 5.79411 5.09542 6.03768 9.84673 7.36792 4.26679 11.4976 8.31932 7.42011 numMergedOcc 0
4 mol 115 unq 0 iso 0 dist 8.98702 6.3982 5.47689 5.29965 6.55511 5.11551 10.6104 10.0041 6.92026 6.77806 numMergedOcc 0
5 mol 131 unq 0 iso 0 dist 8.91629 6.44766 5.29825 7.69184 12.0117 6.85062 12.0238 5.43662 8.70296 14.2045 numMergedOcc 0
6 mol 131 unq 1 iso 0 dist 8.91629 6.44766 5.29825 7.69184 12.0117 6.85062 6.81696 13.3064 9.25558 5.09131 numMergedOcc 0
7 mol 180 unq 0 iso 0 dist 7.11542 7.24785 6.93557 14.0966 16.3276 9.62337 8.09502 9.59587 5.85827 8.78204 numMergedOcc 0
8 mol 180 unq 1 iso 0 dist 6.43834 7.53287 6.93557 14.0344 16.3276 9.62337 5.6141 9.59587 5.85827 8.78204 numMergedOcc 0
9 mol 186 unq 0 iso 0 dist 6.03801 5.47189 8.61343 5.48717 5.16813 7.54065 6.49544 12.0848 8.73217 11.7429 numMergedOcc 0
10 mol 222 unq 0 iso 0 dist 8.27605 8.81925 11.2593 9.75789 16.5465 8.01589 6.11074 8.8394 7.67576 10.3151 numMergedOcc 0
11 mol 222 unq 1 iso 0 dist 8.27605 8.81925 11.2593 9.75789 16.5465 8.01589 6.22277 12.7485 9.82371 8.52017 numMergedOcc 0
12 mol 222 unq 2 iso 0 dist 8.27605 8.81925 11.2593 12.7799 14.9816 7.7699 6.11074 8.8394 7.67576 7.81022 numMergedOcc 0
13 mol 222 unq 3 iso 0 dist 8.27605 8.81925 11.2593 12.7799 14.9816 7.7699 6.22277 12.7485 9.82371 15.7504 numMergedOcc 0
14 mol 222 unq 4 iso 0 dist 8.27605 8.81925 11.2593 12.5625 11.7367 7.21333 6.11074 8.8394 7.67576 7.75656 numMergedOcc 0
15 mol 222 unq 5 iso 0 dist 8.27605 8.81925 11.2593 12.5625 11.7367 7.21333 6.22277 12.7485 9.82371 16.0949 numMergedOcc 0
16 mol 234 unq 0 iso 0 dist 8.70264 8.58958 7.01488 16.0172 14.7908 8.34494 18.0206 15.4594 9.81425 4.3717 numMergedOcc 0
17 mol 234 unq 1 iso 0 dist 8.70264 8.58958 7.01488 14.7629 11.3677 6.56247 18.0206 15.4594 9.81425 4.46561 numMergedOcc 0
18 mol 234 unq 2 iso 0 dist 8.70264 8.58958 7.01488 13.5847 12.8905 9.36357 18.0206 15.4594 9.81425 10.641 numMergedOcc 0
19 mol 258 unq 0 iso 0 dist 8.65727 9.80417 15.3755 10.759 18.1419 6.60405 5.62207 12.8427 7.21311 5.63675 numMergedOcc 0
20 mol 292 unq 0 iso 0 dist 8.85233 6.07571 9.38462 8.66797 10.7927 8.2734 4.59906 13.1357 7.07965 10.8848 numMergedOcc 0
21 mol 292 unq 1 iso 0 dist 7.06322 6.07571 5.81799 8.66797 13.4688 8.2734 4.59906 6.68183 7.07965 10.8848 numMergedOcc 0
