0 mol 21 unq 0 iso 0 dist 7.48808 7.01513 7.08873 7.37842 9.93488 13.4621 numMergedOcc 0
1 mol 21 unq 1 iso 0 dist 7.48808 7.01513 7.08873 5.24786 7.88429 6.29808 numMergedOcc 0
2 mol 25 unq 0 iso 0 dist 8.94828 9.23015 5.63212 7.11194 6.00307 9.5648 numMergedOcc 0
3 mol 34 unq 0 iso 0 dist 8.36524 5.39587 4.55481 9.05146 8.16494 5.51172 numMergedOcc 0
4 mol 34 unq 1 iso 0 dist 8.36524 6.47252 13.4762 9.05146 8.16494 14.4698 numMergedOcc 0
5 mol 41 unq 0 iso 0 dist 5.36895 4.29713 7.18662 9.95794 7.07587 9.26277 numMergedOcc 0
6 mol 43 unq 0 iso 0 dist 8.06275 8.74209 5.41726 14.8755 8.47617 12.5916 numMergedOcc 0
7 mol 51 unq 0 iso 0 dist 6.67213 8.92175 4.32726 5.44727 8.99612 9.07954 numMergedOcc 0
8 mol 89 unq 0 iso 0 dist 8.85873 7.02228 6.13636 5.19804 5.25504 5.65453 numMergedOcc 0
9 mol 89 unq 1 iso 0 dist 7.3606 7.02228 4.16955 5.19804 7.84991 5.65453 numMergedOcc 0
10 mol 122 unq 0 iso 0 dist 8.47907 6.91978 6.9791 8.96396 8.054 12.7573 numMergedOcc 0
11 mol 134 unq 0 iso 0 dist 7.30919 7.96353 5.03507 14.4662 8.75736 12.7631 numMergedOcc 0
12 mol 134 unq 1 iso 0 dist 7.30919 7.96353 5.03507 12.021 6.76166 9.17983 numMergedOcc 0
13 mol 152 unq 0 iso 0 dist 8.34839 9.4275 5.39112 14.9554 9.0847 12.8022 numMergedOcc 0
14 mol 152 unq 1 iso 0 dist 8.34839 9.83462 4.84714 14.9554 9.0847 13.3531 numMergedOcc 0
15 mol 178 unq 0 iso 0 dist 8.04723 8.81097 10.8373 11.2444 7.14849 14.3793 numMergedOcc 0
16 mol 178 unq 1 iso 0 dist 8.04723 8.81097 10.8373 12.3996 8.63718 17.8438 numMergedOcc 0
17 mol 186 unq 0 iso 0 dist 9.52413 8.9388 15.4336 15.6548 7.09426 22.0556 numMergedOcc 0
18 mol 186 unq 1 iso 0 dist 6.0639 9.16579 7.38602 5.18812 9.71735 12.7026 numMergedOcc 0
19 mol 186 unq 2 iso 0 dist 6.0639 8.95209 11.6282 5.18812 9.71735 13.1488 numMergedOcc 0
20 mol 186 unq 3 iso 0 dist 6.91355 9.16579 4.26355 5.18812 9.04898 12.7026 numMergedOcc 0
21 mol 186 unq 4 iso 0 dist 6.91355 8.95209 10.5033 5.18812 9.04898 13.1488 numMergedOcc 0
22 mol 243 unq 0 iso 0 dist 7.80612 9.89379 4.81639 14.2037 8.69557 12.76 numMergedOcc 0
23 mol 243 unq 1 iso 0 dist 7.80612 9.89379 4.81639 4.72507 4.89168 8.92798 numMergedOcc 0
24 mol 248 unq 0 iso 0 dist 7.40475 5.65458 7.48679 11.4636 9.5107 14.8584 numMergedOcc 0
25 mol 277 unq 0 iso 0 dist 7.151 9.22453 11.2997 8.68474 6.70123 16.521 numMergedOcc 0
26 mol 277 unq 1 iso 0 dist 7.23956 9.22453 3.97543 5.13652 9.64889 12.4519 numMergedOcc 0
