0 mol 10 unq 0 iso 0 dist 7.99404 5.43912 9.75001 3.5691 6.68744 3.25792 numMergedOcc 0
1 mol 10 unq 1 iso 0 dist 7.99404 6.23648 9.06457 3.5691 6.68744 4.68389 numMergedOcc 0
2 mol 20 unq 0 iso 0 dist 9.35248 4.90916 7.61139 3.63394 8.38129 4.7579 numMergedOcc 0
3 mol 20 unq 1 iso 0 dist 9.35248 6.3965 6.54552 3.63394 8.38129 3.21365 numMergedOcc 0
4 mol 20 unq 2 iso 0 dist 9.55415 9.45728 7.61139 5.17224 8.38129 4.7579 numMergedOcc 0
5 mol 20 unq 3 iso 0 dist 9.55415 4.76485 6.54552 5.17224 8.38129 3.21365 numMergedOcc 0
6 mol 27 unq 0 iso 0 dist 8.69158 4.03579 8.57157 7.94369 9.93104 4.77763 numMergedOcc 0
7 mol 27 unq 1 iso 0 dist 8.69158 4.03579 8.57157 6.68853 8.05628 3.21417 numMergedOcc 0
8 mol 46 unq 0 iso 0 dist 8.55031 8.55766 8.16183 6.54685 5.2568 3.7765 numMergedOcc 0
9 mol 63 unq 0 iso 0 dist 7.89201 8.17555 8.77624 6.42684 9.07614 4.73277 numMergedOcc 0
10 mol 88 unq 0 iso 0 dist 9.4046 7.32542 5.9443 3.48087 9.27633 5.06277 numMergedOcc 0
11 mol 88 unq 1 iso 0 dist 9.4046 7.32542 5.9443 10.8263 7.59715 5.46288 numMergedOcc 0
12 mol 88 unq 2 iso 0 dist 9.4046 11.423 9.16708 3.48087 9.27633 8.77344 numMergedOcc 0
13 mol 88 unq 3 iso 0 dist 9.4046 11.423 9.16708 10.8263 7.59715 3.13774 numMergedOcc 0
14 mol 90 unq 0 iso 0 dist 9.28585 5.82228 8.48639 7.8463 5.28331 5.4118 numMergedOcc 0
15 mol 92 unq 0 iso 0 dist 6.78043 7.18067 8.67475 3.68302 7.80279 10.7189 numMergedOcc 0
16 mol 92 unq 1 iso 0 dist 5.74364 5.74315 8.67475 6.29901 7.80279 10.7189 numMergedOcc 0
17 mol 141 unq 0 iso 0 dist 6.95914 3.97541 4.33805 15.8449 9.80185 13.0092 numMergedOcc 0
18 mol 183 unq 0 iso 0 dist 9.92635 10.4828 8.41645 5.27311 8.58178 7.2705 numMergedOcc 0
19 mol 183 unq 1 iso 0 dist 9.92635 10.4828 8.41645 6.58331 4.77438 8.51377 numMergedOcc 0
20 mol 183 unq 2 iso 0 dist 9.92635 10.4828 8.41645 12.5326 5.73344 11.2827 numMergedOcc 0
21 mol 183 unq 3 iso 0 dist 7.85507 6.77174 8.41645 3.84394 8.58178 7.2705 numMergedOcc 0
22 mol 183 unq 4 iso 0 dist 7.85507 6.77174 8.41645 5.46887 4.77438 8.51377 numMergedOcc 0
23 mol 183 unq 5 iso 0 dist 7.85507 6.77174 8.41645 11.1336 5.73344 11.2827 numMergedOcc 0
24 mol 197 unq 0 iso 0 dist 5.79753 8.31631 8.18029 3.70636 7.06868 5.46446 numMergedOcc 0
25 mol 197 unq 1 iso 0 dist 7.56537 5.38951 8.18029 8.82321 7.06868 5.46446 numMergedOcc 0
26 mol 234 unq 0 iso 0 dist 6.56262 11.2863 9.00657 11.4672 9.8226 4.70248 numMergedOcc 0
27 mol 234 unq 1 iso 0 dist 8.38742 5.99784 7.87591 9.98235 9.2653 4.70248 numMergedOcc 0
28 mol 257 unq 0 iso 0 dist 9.02271 9.80762 5.81865 8.24936 9.95749 5.65819 numMergedOcc 0
29 mol 273 unq 0 iso 0 dist 9.12505 15.359 9.45329 9.88674 8.5948 7.04946 numMergedOcc 0
30 mol 283 unq 0 iso 0 dist 8.80555 12.9436 9.60873 13.6006 8.91437 3.12129 numMergedOcc 0
31 mol 283 unq 1 iso 0 dist 8.80418 3.77125 9.60873 6.35533 8.91437 3.12129 numMergedOcc 0
32 mol 292 unq 0 iso 0 dist 8.92332 10.9968 7.02131 12.4675 7.89784 7.72653 numMergedOcc 0
33 mol 292 unq 1 iso 0 dist 8.92332 12.7808 6.79765 12.4675 7.89784 5.36842 numMergedOcc 0
34 mol 292 unq 2 iso 0 dist 8.92332 9.55943 6.13272 12.4675 7.89784 3.08474 numMergedOcc 0
35 mol 292 unq 3 iso 0 dist 8.92332 6.65781 7.02679 12.4675 7.89784 6.12546 numMergedOcc 0
36 mol 292 unq 4 iso 0 dist 8.92332 4.00064 9.08889 12.4675 7.89784 14.4257 numMergedOcc 0
