0 mol 15 unq 0 iso 0 dist 9.60736 6.05868 8.83891 11.4242 8.85174 6.3431 numMergedOcc 0
1 mol 53 unq 0 iso 0 dist 9.06787 8.04063 5.63499 5.87231 7.28228 5.55291 numMergedOcc 0
2 mol 67 unq 0 iso 0 dist 5.35145 6.70667 9.83555 6.45647 8.3733 10.3756 numMergedOcc 0
3 mol 112 unq 0 iso 0 dist 8.59002 4.81432 6.6536 10.2526 7.7988 10.8268 numMergedOcc 0
4 mol 112 unq 1 iso 0 dist 8.59002 4.81432 6.6536 12.1073 9.40824 11.179 numMergedOcc 0
5 mol 112 unq 2 iso 0 dist 8.59002 4.81432 6.6536 6.7184 4.22363 4.87668 numMergedOcc 0
6 mol 133 unq 0 iso 0 dist 8.25027 9.31389 8.89346 4.28997 7.22643 9.42084 numMergedOcc 0
7 mol 198 unq 0 iso 0 dist 8.18482 7.58767 9.40433 5.11128 9.31526 9.33462 numMergedOcc 0
8 mol 205 unq 0 iso 0 dist 6.3407 4.69923 8.92597 8.9058 7.21137 7.22201 numMergedOcc 0
9 mol 205 unq 1 iso 0 dist 6.3407 4.69923 8.92597 10.4602 8.4844 12.3312 numMergedOcc 0
10 mol 205 unq 2 iso 0 dist 6.3407 11.9426 7.53734 8.9058 7.21137 13.6728 numMergedOcc 0
11 mol 205 unq 3 iso 0 dist 6.3407 11.9426 7.53734 10.4602 8.4844 7.78052 numMergedOcc 0
12 mol 205 unq 4 iso 0 dist 6.3407 16.0229 9.79826 8.9058 7.21137 14.1866 numMergedOcc 0
13 mol 205 unq 5 iso 0 dist 6.3407 16.0229 9.79826 10.4602 8.4844 13.0749 numMergedOcc 0
14 mol 220 unq 0 iso 0 dist 5.83372 4.53335 8.63839 7.36035 9.58404 9.27733 numMergedOcc 0
15 mol 220 unq 1 iso 0 dist 9.82471 5.82397 8.63839 10.4268 9.58404 9.27733 numMergedOcc 0
16 mol 222 unq 0 iso 0 dist 7.79613 13.7865 7.99441 5.02064 5.56538 9.84386 numMergedOcc 0
17 mol 225 unq 0 iso 0 dist 4.58113 5.97855 8.69052 6.87089 8.14831 10.3976 numMergedOcc 0
18 mol 292 unq 0 iso 0 dist 8.71745 6.92318 8.67283 9.92863 9.9886 11.1808 numMergedOcc 0
