0 mol 20 unq 0 iso 0 dist 9.14371 6.42002 12.0619 5.87364 8.96335 4.6621 numMergedOcc 0
1 mol 33 unq 0 iso 0 dist 9.8294 6.84974 8.71742 8.41903 12.9702 6.28281 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 8.99509 4.44406 8.42544 9.9451 10.7805 10.9858 numMergedOcc 0
3 mol 43 unq 1 iso 0 dist 8.47617 4.44406 6.09486 9.9451 13.5667 10.9858 numMergedOcc 0
4 mol 43 unq 2 iso 0 dist 5.73331 4.44406 4.40385 9.9451 7.42491 10.9858 numMergedOcc 0
5 mol 43 unq 3 iso 0 dist 8.48694 4.44406 6.2847 9.9451 8.21467 10.9858 numMergedOcc 0
6 mol 91 unq 0 iso 0 dist 6.91417 9.01327 7.03963 5.45873 9.13283 6.59567 numMergedOcc 0
7 mol 91 unq 1 iso 0 dist 6.91417 9.01327 7.03963 6.97995 10.8161 13.5142 numMergedOcc 0
8 mol 123 unq 0 iso 0 dist 9.99727 6.49558 9.43434 7.36361 14.0935 5.25923 numMergedOcc 0
9 mol 173 unq 0 iso 0 dist 9.09857 5.89342 6.06124 6.07708 5.70743 7.55884 numMergedOcc 0
10 mol 196 unq 0 iso 0 dist 4.97115 5.66536 10.1657 6.23981 4.54749 10.2325 numMergedOcc 0
11 mol 196 unq 1 iso 0 dist 4.97115 5.66536 10.1657 5.92441 7.12828 9.88583 numMergedOcc 0
12 mol 196 unq 2 iso 0 dist 9.45804 5.66536 11.4143 6.23981 14.6849 10.2325 numMergedOcc 0
13 mol 196 unq 3 iso 0 dist 9.45804 5.66536 11.4143 5.92441 5.00944 9.88583 numMergedOcc 0
14 mol 196 unq 4 iso 0 dist 9.8486 5.66536 8.29433 6.23981 16.0758 10.2325 numMergedOcc 0
15 mol 196 unq 5 iso 0 dist 9.8486 5.66536 8.29433 5.92441 8.61977 9.88583 numMergedOcc 0
16 mol 196 unq 6 iso 0 dist 7.23126 5.66536 3.98793 6.23981 10.645 10.2325 numMergedOcc 0
17 mol 196 unq 7 iso 0 dist 7.23126 5.66536 3.98793 5.92441 11.2081 9.88583 numMergedOcc 0
18 mol 196 unq 8 iso 0 dist 7.82805 6.55775 3.98793 8.24718 10.645 10.2325 numMergedOcc 0
19 mol 247 unq 0 iso 0 dist 8.14191 6.16117 8.09099 5.18532 5.81138 9.41711 numMergedOcc 0
20 mol 278 unq 0 iso 0 dist 9.30751 9.00962 9.77182 7.29686 6.76904 7.34781 numMergedOcc 0
21 mol 278 unq 1 iso 0 dist 9.30751 9.00962 9.77182 9.62872 7.89642 8.25822 numMergedOcc 0
22 mol 278 unq 2 iso 0 dist 9.65332 9.88046 7.41825 9.74549 10.159 15.8422 numMergedOcc 0
23 mol 278 unq 3 iso 0 dist 9.65332 9.88046 7.41825 8.91606 9.96924 7.27472 numMergedOcc 0
24 mol 280 unq 0 iso 0 dist 8.88567 9.81594 4.83983 7.18775 6.19336 3.84243 numMergedOcc 0
25 mol 280 unq 1 iso 0 dist 8.88567 9.81594 4.83983 9.9394 13.0704 12.0765 numMergedOcc 0
