0 mol 4 unq 0 iso 0 dist 6.22303 9.31285 6.39302 8.60134 9.06421 14.3737 numMergedOcc 0
1 mol 4 unq 1 iso 0 dist 6.22303 8.66947 6.8787 8.60134 9.06421 11.1776 numMergedOcc 0
2 mol 34 unq 0 iso 0 dist 9.3613 8.36524 12.6572 5.39587 9.0284 4.55481 numMergedOcc 0
3 mol 34 unq 1 iso 0 dist 9.3613 8.36524 12.6572 6.47252 14.6063 13.4762 numMergedOcc 0
4 mol 41 unq 0 iso 0 dist 6.68599 5.36895 8.61524 4.29713 6.02913 7.18662 numMergedOcc 0
5 mol 69 unq 0 iso 0 dist 9.16791 8.29727 8.77472 7.21134 10.1031 11.6801 numMergedOcc 0
6 mol 69 unq 1 iso 0 dist 6.57452 8.29727 5.16822 7.21134 9.81292 11.6801 numMergedOcc 0
7 mol 72 unq 0 iso 0 dist 8.06901 5.48831 5.86484 9.20886 12.4898 7.07356 numMergedOcc 0
8 mol 72 unq 1 iso 0 dist 8.06901 9.39178 8.82422 9.20886 12.4898 5.84044 numMergedOcc 0
9 mol 78 unq 0 iso 0 dist 9.93275 9.29446 9.54341 8.56119 4.76634 9.76194 numMergedOcc 0
10 mol 78 unq 1 iso 0 dist 9.93275 5.8992 9.58336 8.56119 4.76634 5.7558 numMergedOcc 0
11 mol 86 unq 0 iso 0 dist 8.45341 5.63037 9.69527 9.32256 7.36782 9.06034 numMergedOcc 0
12 mol 94 unq 0 iso 0 dist 6.63924 6.31237 6.0901 8.97936 6.04201 4.50272 numMergedOcc 0
13 mol 95 unq 0 iso 0 dist 5.84349 7.90775 4.33346 7.84956 5.64279 7.45908 numMergedOcc 0
14 mol 95 unq 1 iso 0 dist 5.84349 7.90775 4.33346 8.57607 8.32734 4.99174 numMergedOcc 0
15 mol 95 unq 2 iso 0 dist 5.84349 7.90775 4.33346 6.1991 4.79063 4.46005 numMergedOcc 0
16 mol 95 unq 3 iso 0 dist 5.84349 7.90775 4.33346 5.96246 4.05985 8.28518 numMergedOcc 0
17 mol 95 unq 4 iso 0 dist 5.84349 8.49531 10.3965 7.84956 5.64279 10.2496 numMergedOcc 0
18 mol 95 unq 5 iso 0 dist 5.84349 8.49531 10.3965 8.57607 8.32734 16.6518 numMergedOcc 0
19 mol 95 unq 6 iso 0 dist 5.84349 8.49531 10.3965 6.1991 4.79063 13.1525 numMergedOcc 0
20 mol 95 unq 7 iso 0 dist 5.84349 8.49531 10.3965 5.96246 4.05985 7.26851 numMergedOcc 0
21 mol 102 unq 0 iso 0 dist 7.90927 8.84131 9.9427 9.16431 5.21593 7.75097 numMergedOcc 0
22 mol 102 unq 1 iso 0 dist 6.7095 8.84131 7.49575 9.16431 10.2581 7.75097 numMergedOcc 0
23 mol 178 unq 0 iso 0 dist 9.3355 8.04723 13.6129 8.81097 5.71 10.8373 numMergedOcc 0
24 mol 232 unq 0 iso 0 dist 9.10154 7.57253 5.45696 8.1692 5.59992 5.42461 numMergedOcc 0
25 mol 236 unq 0 iso 0 dist 5.46484 8.95071 6.49831 5.9625 7.69003 10.5937 numMergedOcc 0
26 mol 243 unq 0 iso 0 dist 7.72368 7.80612 6.64693 9.89379 7.33221 4.81639 numMergedOcc 0
27 mol 266 unq 0 iso 0 dist 6.20998 6.95233 5.98169 7.30349 10.7368 6.17213 numMergedOcc 0
28 mol 266 unq 1 iso 0 dist 6.20998 9.61741 13.6708 7.30349 10.7368 10.9352 numMergedOcc 0
29 mol 266 unq 2 iso 0 dist 6.20998 5.61056 10.2407 7.30349 10.7368 4.0027 numMergedOcc 0
30 mol 266 unq 3 iso 0 dist 8.78219 6.95233 13.8919 7.30349 15.1414 6.17213 numMergedOcc 0
31 mol 266 unq 4 iso 0 dist 8.78219 9.61741 16.7981 7.30349 15.1414 10.9352 numMergedOcc 0
32 mol 266 unq 5 iso 0 dist 8.78219 5.61056 14.0884 7.30349 15.1414 4.0027 numMergedOcc 0
33 mol 285 unq 0 iso 0 dist 4.49395 6.44657 9.237 7.12723 5.62841 10.8644 numMergedOcc 0
