0 mol 45 unq 0 iso 0 dist 7.62709 8.55903 3.82801 8.60899 9.20119 8.27463 numMergedOcc 0
1 mol 45 unq 1 iso 0 dist 7.61402 7.55443 6.76899 9.22921 6.99408 10.3016 numMergedOcc 0
2 mol 45 unq 2 iso 0 dist 7.61402 7.55443 6.76899 6.64343 9.3403 12.037 numMergedOcc 0
3 mol 54 unq 0 iso 0 dist 8.41365 9.63616 10.2702 5.65405 5.02241 8.31068 numMergedOcc 0
4 mol 107 unq 0 iso 0 dist 9.25873 9.4238 6.48911 5.13248 8.40312 9.45682 numMergedOcc 0
5 mol 130 unq 0 iso 0 dist 6.16039 8.12319 9.6361 5.26656 6.79146 9.81269 numMergedOcc 0
6 mol 130 unq 1 iso 0 dist 6.16039 8.12319 9.6361 10.6181 7.66168 10.8305 numMergedOcc 0
7 mol 130 unq 2 iso 0 dist 6.16039 8.12319 9.6361 9.86628 6.89257 14.8481 numMergedOcc 0
8 mol 181 unq 0 iso 0 dist 9.7281 8.07518 4.22401 7.07865 7.37327 8.86172 numMergedOcc 0
9 mol 181 unq 1 iso 0 dist 9.7281 7.39733 7.66761 7.07865 7.37327 8.29467 numMergedOcc 0
10 mol 184 unq 0 iso 0 dist 7.95111 9.511 7.71503 7.25468 9.52936 11.0396 numMergedOcc 0
11 mol 184 unq 1 iso 0 dist 7.95111 9.511 7.71503 8.82012 9.15417 14.0549 numMergedOcc 0
12 mol 184 unq 2 iso 0 dist 7.95111 7.72354 4.11581 7.25468 9.52936 9.84566 numMergedOcc 0
13 mol 184 unq 3 iso 0 dist 7.95111 7.72354 4.11581 8.82012 9.15417 11.546 numMergedOcc 0
14 mol 205 unq 0 iso 0 dist 7.70781 4.29411 3.72865 10.6362 9.19704 9.44789 numMergedOcc 0
15 mol 232 unq 0 iso 0 dist 8.94854 4.76819 9.20175 8.14537 7.07392 11.5998 numMergedOcc 0
16 mol 232 unq 1 iso 0 dist 8.94854 4.76819 9.20175 12.1805 9.62952 15.2654 numMergedOcc 0
17 mol 238 unq 0 iso 0 dist 6.19514 5.90826 3.94343 6.13639 6.05141 8.94231 numMergedOcc 0
18 mol 238 unq 1 iso 0 dist 6.19514 5.90826 3.94343 5.59848 8.09066 8.88652 numMergedOcc 0
19 mol 238 unq 2 iso 0 dist 6.19514 5.90826 3.94343 7.17967 7.2766 6.46771 numMergedOcc 0
20 mol 257 unq 0 iso 0 dist 7.48361 8.81508 4.46167 6.64096 7.14834 9.6834 numMergedOcc 0
21 mol 284 unq 0 iso 0 dist 8.6173 6.61811 10.1727 5.87119 4.86729 10.0727 numMergedOcc 0
