0 mol 58 unq 0 iso 0 dist 6.81627 7.32874 5.47421 9.55426 9.7274 5.90225 5.61579 5.38524 8.69057 13.1897 numMergedOcc 0
1 mol 58 unq 0 iso 1 dist 7.32874 6.81627 5.47421 9.55426 5.90225 9.7274 5.61579 8.69057 5.38524 13.1897 numMergedOcc 0
2 mol 58 unq 1 iso 0 dist 6.62496 6.35756 4.81926 6.86465 5.30792 5.35073 9.87158 9.22598 8.96727 13.3281 numMergedOcc 0
3 mol 58 unq 1 iso 1 dist 6.35756 6.62496 4.81926 6.86465 5.35073 5.30792 9.87158 8.96727 9.22598 13.3281 numMergedOcc 0
4 mol 60 unq 0 iso 0 dist 6.43294 8.7531 5.67502 8.33063 10.1562 7.29309 8.62476 7.57295 8.4312 12.8147 numMergedOcc 0
5 mol 60 unq 0 iso 1 dist 8.7531 6.43294 5.67502 8.33063 7.29309 10.1562 8.62476 8.4312 7.57295 12.8147 numMergedOcc 0
6 mol 73 unq 0 iso 0 dist 9.96396 6.19304 5.4148 8.70481 14.9342 13.3558 5.70116 9.73086 7.4369 12.8207 numMergedOcc 0
7 mol 73 unq 0 iso 1 dist 6.19304 9.96396 5.4148 8.70481 13.3558 14.9342 5.70116 7.4369 9.73086 12.8207 numMergedOcc 0
8 mol 98 unq 0 iso 0 dist 5.08437 6.48948 9.51923 6.10456 8.40073 9.42358 3.9764 5.10496 5.92242 5.2571 numMergedOcc 0
9 mol 98 unq 0 iso 1 dist 6.48948 5.08437 9.51923 6.10456 9.42358 8.40073 3.9764 5.92242 5.10496 5.2571 numMergedOcc 0
10 mol 98 unq 1 iso 0 dist 5.08437 6.10456 8.40073 6.48948 9.51923 9.42358 3.9764 5.10496 5.2571 5.92242 numMergedOcc 0
11 mol 98 unq 1 iso 1 dist 6.10456 5.08437 8.40073 6.48948 9.42358 9.51923 3.9764 5.2571 5.10496 5.92242 numMergedOcc 0
12 mol 98 unq 1 iso 0 dist 6.48948 6.10456 9.42358 5.08437 9.51923 8.40073 3.9764 5.92242 5.2571 5.10496 numMergedOcc 0
13 mol 98 unq 1 iso 1 dist 6.10456 6.48948 9.42358 5.08437 8.40073 9.51923 3.9764 5.2571 5.92242 5.10496 numMergedOcc 0
14 mol 117 unq 0 iso 0 dist 7.83136 7.0603 7.21564 7.90328 7.22206 9.3584 3.55765 8.19331 8.85711 10.4223 numMergedOcc 0
15 mol 117 unq 0 iso 1 dist 7.0603 7.83136 7.21564 7.90328 9.3584 7.22206 3.55765 8.85711 8.19331 10.4223 numMergedOcc 0
16 mol 134 unq 0 iso 0 dist 8.94367 6.37586 5.49782 6.49416 8.80819 5.00817 8.06642 7.21868 7.93372 11.988 numMergedOcc 0
17 mol 134 unq 0 iso 1 dist 6.37586 8.94367 5.49782 6.49416 5.00817 8.80819 8.06642 7.93372 7.21868 11.988 numMergedOcc 0
18 mol 152 unq 0 iso 0 dist 8.56324 6.70283 7.65448 7.16148 10.6875 5.49936 5.39112 6.59889 6.70693 10.4895 numMergedOcc 0
19 mol 152 unq 0 iso 1 dist 6.70283 8.56324 7.65448 7.16148 5.49936 10.6875 5.39112 6.70693 6.59889 10.4895 numMergedOcc 0
20 mol 224 unq 0 iso 0 dist 6.65832 6.60589 6.77699 9.16166 11.328 8.49799 5.76843 6.99769 8.79428 6.8692 numMergedOcc 0
21 mol 224 unq 0 iso 1 dist 6.60589 6.65832 6.77699 9.16166 8.49799 11.328 5.76843 8.79428 6.99769 6.8692 numMergedOcc 0
22 mol 224 unq 1 iso 0 dist 6.65832 9.16166 11.328 6.60589 6.77699 8.49799 5.76843 6.99769 6.8692 8.79428 numMergedOcc 0
23 mol 224 unq 1 iso 1 dist 9.16166 6.65832 11.328 6.60589 8.49799 6.77699 5.76843 6.8692 6.99769 8.79428 numMergedOcc 0
24 mol 224 unq 2 iso 0 dist 6.57273 5.78342 8.49799 8.95269 4.70378 11.5372 7.05804 8.79428 6.8692 13.2325 numMergedOcc 0
25 mol 224 unq 2 iso 1 dist 5.78342 6.57273 8.49799 8.95269 11.5372 4.70378 7.05804 6.8692 8.79428 13.2325 numMergedOcc 0
26 mol 224 unq 1 iso 0 dist 6.60589 9.16166 8.49799 6.65832 6.77699 11.328 5.76843 8.79428 6.8692 6.99769 numMergedOcc 0
27 mol 224 unq 1 iso 1 dist 9.16166 6.60589 8.49799 6.65832 11.328 6.77699 5.76843 6.8692 8.79428 6.99769 numMergedOcc 0
28 mol 227 unq 0 iso 0 dist 7.22101 8.65997 5.22356 9.34734 6.99063 7.60506 5.0317 5.23634 6.91318 10.7855 numMergedOcc 0
29 mol 227 unq 0 iso 1 dist 8.65997 7.22101 5.22356 9.34734 7.60506 6.99063 5.0317 6.91318 5.23634 10.7855 numMergedOcc 0
30 mol 227 unq 1 iso 0 dist 7.22101 8.65997 5.22356 7.56888 10.8658 9.70012 5.0317 5.23634 6.91318 11.2661 numMergedOcc 0
31 mol 227 unq 1 iso 1 dist 8.65997 7.22101 5.22356 7.56888 9.70012 10.8658 5.0317 6.91318 5.23634 11.2661 numMergedOcc 0
32 mol 227 unq 2 iso 0 dist 7.22101 8.65997 5.22356 7.55216 12.4689 12.9332 5.0317 5.23634 6.91318 12.3663 numMergedOcc 0
33 mol 227 unq 2 iso 1 dist 8.65997 7.22101 5.22356 7.55216 12.9332 12.4689 5.0317 6.91318 5.23634 12.3663 numMergedOcc 0
34 mol 259 unq 0 iso 0 dist 7.88519 7.46176 6.96053 7.84554 4.86771 7.64658 11.6988 9.46361 6.95511 12.8903 numMergedOcc 0
35 mol 259 unq 0 iso 1 dist 7.46176 7.88519 6.96053 7.84554 7.64658 4.86771 11.6988 6.95511 9.46361 12.8903 numMergedOcc 0
36 mol 259 unq 1 iso 0 dist 7.88519 7.46176 6.96053 9.18903 10.4881 10.5239 11.6988 9.46361 6.95511 17.104 numMergedOcc 0
37 mol 259 unq 1 iso 1 dist 7.46176 7.88519 6.96053 9.18903 10.5239 10.4881 11.6988 6.95511 9.46361 17.104 numMergedOcc 0
