0 mol 41 unq 0 iso 0 dist 7.10635 7.51317 7.89705 12.0084 9.18836 6.32189 numMergedOcc 0
1 mol 41 unq 1 iso 0 dist 7.10635 7.51317 7.89705 4.08339 6.07294 4.85777 numMergedOcc 0
2 mol 67 unq 0 iso 0 dist 8.34804 12.6838 6.0478 12.2427 9.42982 5.89161 numMergedOcc 0
3 mol 67 unq 1 iso 0 dist 8.34804 12.6838 6.0478 7.29309 8.17929 12.4415 numMergedOcc 0
4 mol 67 unq 2 iso 0 dist 8.34804 12.6838 6.0478 4.31746 5.63802 10.8112 numMergedOcc 0
5 mol 79 unq 0 iso 0 dist 8.01516 11.7786 6.07578 4.05986 7.99438 10.3996 numMergedOcc 0
6 mol 79 unq 1 iso 0 dist 8.01516 11.7786 6.07578 4.91535 6.64915 11.2341 numMergedOcc 0
7 mol 79 unq 2 iso 0 dist 8.01516 8.13672 9.56449 4.05986 7.99438 6.74663 numMergedOcc 0
8 mol 79 unq 3 iso 0 dist 8.01516 8.13672 9.56449 4.91535 6.64915 10.4197 numMergedOcc 0
9 mol 85 unq 0 iso 0 dist 7.61312 4.81974 9.924 3.88757 9.04728 6.85215 numMergedOcc 0
10 mol 92 unq 0 iso 0 dist 5.53726 6.24893 6.97288 11.0631 7.31426 7.75408 numMergedOcc 0
11 mol 92 unq 1 iso 0 dist 5.37819 4.98638 5.22996 13.962 8.96747 12.0757 numMergedOcc 0
12 mol 124 unq 0 iso 0 dist 9.7589 9.18927 4.83761 11.2067 9.18949 5.6462 numMergedOcc 0
13 mol 162 unq 0 iso 0 dist 8.37231 5.61836 6.85463 7.15755 9.0087 3.76192 numMergedOcc 0
14 mol 171 unq 0 iso 0 dist 6.20851 5.31547 6.81707 4.47323 6.4751 9.18337 numMergedOcc 0
15 mol 171 unq 1 iso 0 dist 6.20851 5.31547 6.81707 4.73373 5.75085 8.83874 numMergedOcc 0
16 mol 173 unq 0 iso 0 dist 6.7407 10.6359 7.70692 5.68427 8.79135 7.59362 numMergedOcc 0
17 mol 173 unq 1 iso 0 dist 8.84813 11.4674 4.0037 15.7288 9.31172 11.4153 numMergedOcc 0
18 mol 204 unq 0 iso 0 dist 8.40718 13.4719 9.42862 15.9432 9.23676 7.34336 numMergedOcc 0
19 mol 266 unq 0 iso 0 dist 9.33791 10.7175 9.98606 12.6676 9.54381 8.62248 numMergedOcc 0
20 mol 279 unq 0 iso 0 dist 9.56601 5.95068 7.5355 12.9629 9.29922 8.43508 numMergedOcc 0
21 mol 279 unq 1 iso 0 dist 8.299 12.3159 8.84798 6.68035 5.94449 5.89415 numMergedOcc 0
22 mol 279 unq 2 iso 0 dist 8.299 12.3159 8.84798 4.47851 8.61452 14.0491 numMergedOcc 0
23 mol 279 unq 3 iso 0 dist 8.299 12.3159 8.84798 13.5015 7.66302 15.1378 numMergedOcc 0
