0 mol 43 unq 0 iso 0 dist 8.06275 9.72346 9.86609 14.8755 8.47617 17.6746 numMergedOcc 0
1 mol 43 unq 1 iso 0 dist 6.35333 9.2958 3.84053 5.81652 6.6657 10.1273 numMergedOcc 0
2 mol 51 unq 0 iso 0 dist 6.67213 7.01107 4.63184 5.44727 8.99612 6.64146 numMergedOcc 0
3 mol 62 unq 0 iso 0 dist 8.27156 8.32519 5.9487 11.3515 9.58156 13.9877 numMergedOcc 0
4 mol 62 unq 1 iso 0 dist 8.27156 8.32519 5.9487 11.2658 7.59416 10.5084 numMergedOcc 0
5 mol 95 unq 0 iso 0 dist 8.07365 6.54247 4.23405 4.90339 9.17862 7.97266 numMergedOcc 0
6 mol 95 unq 1 iso 0 dist 8.07365 6.54247 4.23405 12.9365 8.27456 11.6899 numMergedOcc 0
7 mol 96 unq 0 iso 0 dist 6.21351 6.93203 6.08084 7.84409 6.19867 7.22615 numMergedOcc 0
8 mol 96 unq 1 iso 0 dist 6.21351 6.93203 6.08084 12.0865 8.35452 14.2416 numMergedOcc 0
9 mol 96 unq 2 iso 0 dist 9.93617 8.68256 6.08084 5.68919 6.19867 7.22615 numMergedOcc 0
10 mol 96 unq 3 iso 0 dist 9.93617 8.68256 6.08084 14.5513 8.35452 14.2416 numMergedOcc 0
11 mol 111 unq 0 iso 0 dist 6.34542 9.83758 6.34994 10.1386 7.42431 6.33923 numMergedOcc 0
12 mol 113 unq 0 iso 0 dist 7.2443 6.36631 6.54263 8.94648 9.57352 9.44 numMergedOcc 0
13 mol 113 unq 1 iso 0 dist 7.2443 6.24308 3.92558 8.94648 9.57352 8.47634 numMergedOcc 0
14 mol 113 unq 2 iso 0 dist 7.2443 6.66182 7.07985 8.94648 9.57352 11.956 numMergedOcc 0
15 mol 120 unq 0 iso 0 dist 5.06555 8.0889 5.61274 7.08572 8.20009 5.56598 numMergedOcc 0
16 mol 120 unq 1 iso 0 dist 5.06555 8.0889 5.61274 9.04066 8.14799 5.39792 numMergedOcc 0
17 mol 186 unq 0 iso 0 dist 9.52413 8.86574 4.04122 15.6548 7.09426 8.78251 numMergedOcc 0
18 mol 248 unq 0 iso 0 dist 7.40475 5.76741 6.19721 11.4636 9.5107 14.4749 numMergedOcc 0
19 mol 261 unq 0 iso 0 dist 9.80409 8.55479 11.4108 14.5584 9.45818 19.6031 numMergedOcc 0
20 mol 281 unq 0 iso 0 dist 9.27716 7.8046 12.8596 5.25454 7.04661 7.43535 numMergedOcc 0
