0 mol 9 unq 0 iso 0 dist 8.46229 7.84963 10.2545 13.0985 10.0547 8.59513 numMergedOcc 0
1 mol 10 unq 0 iso 0 dist 9.07663 8.44792 9.90599 9.0507 16.0172 9.17574 numMergedOcc 0
2 mol 10 unq 1 iso 0 dist 9.07663 8.44792 9.90599 7.06047 14.7577 8.79953 numMergedOcc 0
3 mol 24 unq 0 iso 0 dist 9.54519 8.6586 6.7846 12.1061 8.4051 7.85986 numMergedOcc 0
4 mol 59 unq 0 iso 0 dist 8.05508 9.34271 10.1462 18.5144 17.4172 9.38538 numMergedOcc 0
5 mol 59 unq 1 iso 0 dist 9.00229 9.34271 15.0017 18.5144 24.0266 9.38538 numMergedOcc 0
6 mol 62 unq 0 iso 0 dist 8.1599 6.35779 5.9487 7.46975 4.74544 8.21895 numMergedOcc 0
7 mol 90 unq 0 iso 0 dist 5.9179 6.10053 4.79453 6.66441 11.4614 8.61893 numMergedOcc 0
8 mol 90 unq 1 iso 0 dist 9.34782 6.10053 6.34112 6.66441 11.1527 8.61893 numMergedOcc 0
9 mol 92 unq 0 iso 0 dist 8.4545 7.7399 12.2908 4.1125 5.9465 6.89071 numMergedOcc 0
10 mol 92 unq 1 iso 0 dist 7.01176 7.7399 13.6054 4.1125 6.97962 6.89071 numMergedOcc 0
11 mol 101 unq 0 iso 0 dist 5.22543 6.67863 6.2696 5.08458 6.98314 9.44645 numMergedOcc 0
12 mol 109 unq 0 iso 0 dist 8.35636 7.39028 4.56372 9.74143 7.02927 5.54226 numMergedOcc 0
13 mol 113 unq 0 iso 0 dist 8.89481 9.86767 13.0914 9.01097 9.66219 5.35711 numMergedOcc 0
14 mol 129 unq 0 iso 0 dist 6.38163 7.04904 10.3933 7.03404 6.28565 8.98175 numMergedOcc 0
15 mol 169 unq 0 iso 0 dist 9.46833 7.50458 13.9883 8.92988 10.1808 7.85698 numMergedOcc 0
16 mol 169 unq 1 iso 0 dist 9.46833 7.50458 13.9883 10.711 12.8176 6.35799 numMergedOcc 0
17 mol 186 unq 0 iso 0 dist 8.96988 6.99587 9.14919 6.33168 14.1868 7.37629 numMergedOcc 0
18 mol 186 unq 1 iso 0 dist 8.96988 4.37577 9.11577 6.33168 14.1868 5.68985 numMergedOcc 0
19 mol 241 unq 0 iso 0 dist 9.10633 8.49869 4.07839 4.85571 7.89524 8.73192 numMergedOcc 0
20 mol 244 unq 0 iso 0 dist 7.65388 5.16859 9.54706 4.38246 5.50492 6.10489 numMergedOcc 0
21 mol 244 unq 1 iso 0 dist 7.65388 4.79207 4.06591 4.38246 5.50492 4.4204 numMergedOcc 0
22 mol 274 unq 0 iso 0 dist 6.55855 9.82713 4.60007 5.15747 6.39866 8.09181 numMergedOcc 0
23 mol 274 unq 1 iso 0 dist 9.52894 9.82713 10.9558 5.15747 10.6913 8.09181 numMergedOcc 0
