0 mol 34 unq 0 iso 0 dist 8.11297 5.55764 5.80848 10.0366 8.68012 8.95619 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 5.63207 9.75898 11.0116 6.15285 7.32913 8.16387 numMergedOcc 0
2 mol 165 unq 0 iso 0 dist 7.22838 5.81507 5.54803 5.97663 6.85551 6.89325 numMergedOcc 0
3 mol 182 unq 0 iso 0 dist 8.21538 9.66051 5.6979 6.04551 8.85111 13.1043 numMergedOcc 0
4 mol 182 unq 1 iso 0 dist 5.63632 9.66051 11.9641 6.04551 6.38335 13.1043 numMergedOcc 0
5 mol 186 unq 0 iso 0 dist 9.35708 7.74764 3.82682 12.3139 9.2254 10.2921 numMergedOcc 0
6 mol 209 unq 0 iso 0 dist 9.20752 8.9906 17.3105 9.95813 9.07668 16.2695 numMergedOcc 0
7 mol 220 unq 0 iso 0 dist 5.60195 5.79015 6.68491 5.84371 9.89039 10.4802 numMergedOcc 0
8 mol 220 unq 1 iso 0 dist 5.60195 5.79015 6.68491 12.9073 8.57174 15.1632 numMergedOcc 0
9 mol 220 unq 2 iso 0 dist 7.87359 6.86637 6.68491 4.72275 9.89039 10.4802 numMergedOcc 0
10 mol 220 unq 3 iso 0 dist 7.87359 6.86637 6.68491 15.2936 8.57174 15.1632 numMergedOcc 0
11 mol 226 unq 0 iso 0 dist 8.64849 8.90583 4.1635 9.4366 8.52996 9.8349 numMergedOcc 0
12 mol 226 unq 1 iso 0 dist 6.3687 9.45587 12.0828 4.52889 8.74399 9.8349 numMergedOcc 0
13 mol 236 unq 0 iso 0 dist 5.46484 6.45266 6.93622 5.81446 7.74348 11.0677 numMergedOcc 0
14 mol 236 unq 1 iso 0 dist 8.80671 9.52945 16.6823 14.8289 7.74348 21.4321 numMergedOcc 0
15 mol 240 unq 0 iso 0 dist 7.84314 5.84605 6.7559 8.48707 7.19218 9.38691 numMergedOcc 0
16 mol 241 unq 0 iso 0 dist 7.16232 9.89398 13.7032 7.52886 7.26758 15.7455 numMergedOcc 0
17 mol 261 unq 0 iso 0 dist 6.93654 7.43425 7.35046 4.95392 7.58385 10.8849 numMergedOcc 0
18 mol 261 unq 1 iso 0 dist 6.93654 7.43425 7.35046 6.94755 6.0437 8.50063 numMergedOcc 0
19 mol 261 unq 2 iso 0 dist 9.66298 7.43425 7.98909 6.94755 4.85199 8.50063 numMergedOcc 0
20 mol 261 unq 3 iso 0 dist 9.66298 7.43425 7.98909 17.3605 9.72159 16.4803 numMergedOcc 0
21 mol 271 unq 0 iso 0 dist 7.34621 9.22385 8.85011 7.6271 9.00071 14.3744 numMergedOcc 0
22 mol 271 unq 1 iso 0 dist 7.34621 6.56531 5.25426 7.6271 9.00071 10.9825 numMergedOcc 0
23 mol 277 unq 0 iso 0 dist 9.44017 9.57943 4.88869 10.4689 8.04712 11.7484 numMergedOcc 0
24 mol 287 unq 0 iso 0 dist 4.98604 7.51034 10.1749 5.51191 6.45597 12.9982 numMergedOcc 0
25 mol 288 unq 0 iso 0 dist 4.98604 7.51034 10.1749 5.51191 6.45597 12.9982 numMergedOcc 0
26 mol 289 unq 0 iso 0 dist 4.98604 7.51034 10.1749 5.51191 6.45597 12.9982 numMergedOcc 0
