0 mol 8 unq 0 iso 0 dist 9.52805 5.89089 5.12111 8.10767 11.2151 7.03958 numMergedOcc 0
1 mol 16 unq 0 iso 0 dist 9.36073 6.86324 11.0021 10.5824 17.8497 7.47858 numMergedOcc 0
2 mol 16 unq 1 iso 0 dist 6.95078 6.61114 4.91539 10.212 11.4868 6.62144 numMergedOcc 0
3 mol 16 unq 2 iso 0 dist 6.95078 6.75381 7.30592 10.3873 13.134 6.72833 numMergedOcc 0
4 mol 17 unq 0 iso 0 dist 8.19749 9.55169 9.91781 11.1103 15.7583 9.78331 numMergedOcc 0
5 mol 25 unq 0 iso 0 dist 9.58408 8.50987 16.4918 4.95472 12.6444 6.85556 numMergedOcc 0
6 mol 32 unq 0 iso 0 dist 7.59933 8.88829 10.0517 10.1739 15.6541 7.99969 numMergedOcc 0
7 mol 96 unq 0 iso 0 dist 6.29224 8.92287 6.21391 5.77655 9.87414 8.39111 numMergedOcc 0
8 mol 96 unq 1 iso 0 dist 8.14767 8.92287 4.86104 5.77655 8.9536 8.39111 numMergedOcc 0
9 mol 98 unq 0 iso 0 dist 3.90209 9.58693 12.3572 10.8137 11.8581 5.78706 numMergedOcc 0
10 mol 98 unq 1 iso 0 dist 3.90209 9.48388 7.71768 7.65932 8.48678 5.65185 numMergedOcc 0
11 mol 102 unq 0 iso 0 dist 7.58293 5.79411 5.09542 4.26679 11.4976 8.31932 numMergedOcc 0
12 mol 115 unq 0 iso 0 dist 8.98702 6.3982 5.47689 10.6104 10.0041 6.92026 numMergedOcc 0
13 mol 131 unq 0 iso 0 dist 8.91629 6.44766 5.29825 12.0238 5.43662 8.70296 numMergedOcc 0
14 mol 131 unq 1 iso 0 dist 8.91629 6.44766 5.29825 6.81696 13.3064 9.25558 numMergedOcc 0
15 mol 171 unq 0 iso 0 dist 4.46397 8.68992 9.02044 9.13275 11.9882 7.36698 numMergedOcc 0
16 mol 180 unq 0 iso 0 dist 7.11542 7.24785 6.93557 8.09502 9.59587 5.85827 numMergedOcc 0
17 mol 180 unq 1 iso 0 dist 6.43834 7.53287 6.93557 5.6141 9.59587 5.85827 numMergedOcc 0
18 mol 186 unq 0 iso 0 dist 6.03801 5.47189 8.61343 6.49544 12.0848 8.73217 numMergedOcc 0
19 mol 222 unq 0 iso 0 dist 8.27605 8.81925 11.2593 6.11074 8.8394 7.67576 numMergedOcc 0
20 mol 222 unq 1 iso 0 dist 8.27605 8.81925 11.2593 6.22277 12.7485 9.82371 numMergedOcc 0
21 mol 234 unq 0 iso 0 dist 8.70264 8.58958 7.01488 18.0206 15.4594 9.81425 numMergedOcc 0
22 mol 258 unq 0 iso 0 dist 8.65727 8.26503 6.11415 5.62207 12.8427 9.96262 numMergedOcc 0
23 mol 258 unq 1 iso 0 dist 8.65727 9.80417 15.3755 5.62207 12.8427 7.21311 numMergedOcc 0
24 mol 271 unq 0 iso 0 dist 7.88092 7.59727 5.31774 5.88597 11.8112 9.70714 numMergedOcc 0
25 mol 292 unq 0 iso 0 dist 8.85233 6.07571 9.38462 4.59906 13.1357 7.07965 numMergedOcc 0
26 mol 292 unq 1 iso 0 dist 7.06322 6.07571 5.81799 4.59906 6.68183 7.07965 numMergedOcc 0
