0 mol 21 unq 0 iso 0 dist 6.97295 9.29842 9.3814 6.07304 4.64562 5.45092 numMergedOcc 0
1 mol 73 unq 0 iso 0 dist 7.37476 8.85981 7.52996 9.46867 5.05394 11.9262 numMergedOcc 0
2 mol 73 unq 1 iso 0 dist 7.37476 8.85981 7.52996 7.09141 9.39279 4.05793 numMergedOcc 0
3 mol 73 unq 2 iso 0 dist 7.37476 9.37314 9.80866 9.46867 5.05394 14.6422 numMergedOcc 0
4 mol 73 unq 3 iso 0 dist 7.37476 9.37314 9.80866 7.09141 9.39279 6.84413 numMergedOcc 0
5 mol 105 unq 0 iso 0 dist 9.89151 9.52576 7.49434 8.834 5.27788 4.25146 numMergedOcc 0
6 mol 105 unq 1 iso 0 dist 9.89151 9.52576 7.49434 9.22294 4.1272 7.42954 numMergedOcc 0
7 mol 116 unq 0 iso 0 dist 7.64107 6.12388 9.1425 9.38436 10.8427 8.16601 numMergedOcc 0
8 mol 116 unq 1 iso 0 dist 7.53333 6.12388 6.29219 9.38436 14.0294 8.16601 numMergedOcc 0
9 mol 186 unq 0 iso 0 dist 7.17789 5.47189 12.5982 5.99965 11.7643 4.527 numMergedOcc 0
10 mol 186 unq 1 iso 0 dist 8.9867 8.58465 8.03427 9.64225 5.65729 6.61139 numMergedOcc 0
11 mol 220 unq 0 iso 0 dist 9.66105 6.9028 8.22716 6.47032 6.08894 3.91796 numMergedOcc 0
12 mol 220 unq 1 iso 0 dist 9.64006 6.9028 9.18635 6.47032 12.229 3.91796 numMergedOcc 0
13 mol 228 unq 0 iso 0 dist 9.23333 8.81885 7.8494 7.32022 11.1426 6.95547 numMergedOcc 0
14 mol 228 unq 1 iso 0 dist 9.21065 8.89311 8.07826 7.66857 11.409 6.94614 numMergedOcc 0
15 mol 229 unq 0 iso 0 dist 5.95601 9.48923 8.44287 5.82844 8.08105 6.02603 numMergedOcc 0
16 mol 229 unq 1 iso 0 dist 5.95601 9.67544 5.29674 5.82844 8.08105 8.88968 numMergedOcc 0
17 mol 266 unq 0 iso 0 dist 8.78501 8.82941 9.7281 7.57543 10.3216 11.2328 numMergedOcc 0
18 mol 266 unq 1 iso 0 dist 8.78501 8.82941 9.7281 8.55542 5.32558 5.60582 numMergedOcc 0
19 mol 266 unq 2 iso 0 dist 8.78501 8.82941 9.7281 8.93788 8.85331 11.0673 numMergedOcc 0
20 mol 266 unq 3 iso 0 dist 5.59641 8.82941 5.98169 7.57543 11.668 11.2328 numMergedOcc 0
21 mol 266 unq 4 iso 0 dist 5.59641 8.82941 5.98169 8.55542 4.86442 5.60582 numMergedOcc 0
22 mol 266 unq 5 iso 0 dist 5.59641 8.82941 5.98169 8.93788 5.62596 11.0673 numMergedOcc 0
23 mol 294 unq 0 iso 0 dist 8.92737 6.45955 6.99988 9.64823 5.52421 10.2563 numMergedOcc 0
24 mol 294 unq 1 iso 0 dist 8.92737 8.86937 11.8346 9.64823 5.52421 14.7467 numMergedOcc 0
25 mol 294 unq 2 iso 0 dist 7.15278 5.71661 6.99988 9.52749 14.5167 10.3494 numMergedOcc 0
26 mol 294 unq 3 iso 0 dist 7.15278 5.71661 6.99988 9.83186 5.52421 10.2563 numMergedOcc 0
27 mol 294 unq 4 iso 0 dist 7.15278 8.98536 11.8346 9.52749 14.5167 9.61478 numMergedOcc 0
28 mol 294 unq 5 iso 0 dist 7.15278 8.98536 11.8346 9.83186 5.52421 14.7467 numMergedOcc 0
