0 mol 20 unq 0 iso 0 dist 7.51452 6.03547 6.92904 10.0614 6.70097 5.69408 16.3456 9.07213 15.0475 12.8405 numMergedOcc 0
1 mol 20 unq 1 iso 0 dist 9.20198 6.09764 6.05053 11.637 6.70097 11.5741 4.18921 9.07213 5.99466 12.8405 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 8.4051 8.23446 14.1082 13.2525 6.23824 17.7468 10.1698 6.61696 16.1924 5.97274 numMergedOcc 0
3 mol 24 unq 1 iso 0 dist 8.4051 8.23446 14.1082 13.2525 6.23824 17.7468 13.6174 5.80953 17.4861 6.46192 numMergedOcc 0
4 mol 24 unq 2 iso 0 dist 8.4051 8.75662 9.62033 13.2525 6.23824 15.4233 10.1698 6.61696 15.3807 5.97274 numMergedOcc 0
5 mol 24 unq 3 iso 0 dist 8.4051 8.75662 9.62033 13.2525 6.23824 15.4233 13.6174 5.80953 11.7489 6.46192 numMergedOcc 0
6 mol 24 unq 4 iso 0 dist 7.29868 7.33768 10.2653 4.99125 6.23824 11.3404 8.91183 6.61696 11.9029 5.97274 numMergedOcc 0
7 mol 24 unq 5 iso 0 dist 7.29868 7.33768 10.2653 4.99125 6.23824 11.3404 5.69214 5.80953 10.8435 6.46192 numMergedOcc 0
8 mol 24 unq 6 iso 0 dist 7.29868 9.01567 6.16544 4.99125 6.23824 9.27694 8.91183 6.61696 6.19899 5.97274 numMergedOcc 0
9 mol 24 unq 7 iso 0 dist 7.29868 9.01567 6.16544 4.99125 6.23824 9.27694 5.69214 5.80953 10.8068 6.46192 numMergedOcc 0
10 mol 24 unq 8 iso 0 dist 8.60554 8.44664 14.1496 11.4659 6.23824 18.6051 14.8647 6.61696 20.4659 5.97274 numMergedOcc 0
11 mol 24 unq 9 iso 0 dist 8.60554 8.44664 14.1496 11.4659 6.23824 18.6051 5.11636 5.80953 12.8213 6.46192 numMergedOcc 0
12 mol 24 unq 10 iso 0 dist 8.60554 9.44691 9.62033 11.4659 6.23824 15.4233 14.8647 6.61696 15.3807 5.97274 numMergedOcc 0
13 mol 24 unq 11 iso 0 dist 8.60554 9.44691 9.62033 11.4659 6.23824 15.4233 5.11636 5.80953 11.7489 6.46192 numMergedOcc 0
14 mol 100 unq 0 iso 0 dist 8.30845 8.76378 13.3504 12.8256 6.84692 16.1549 6.23008 6.59691 13.2391 8.59989 numMergedOcc 0
15 mol 135 unq 0 iso 0 dist 7.90563 5.62052 6.35752 10.5706 7.83735 12.834 8.50814 7.17599 7.28318 11.796 numMergedOcc 0
16 mol 135 unq 1 iso 0 dist 8.97655 7.85645 6.35752 11.8378 7.83735 12.834 3.95636 7.17599 7.28318 11.796 numMergedOcc 0
17 mol 170 unq 0 iso 0 dist 6.35982 7.51126 6.24983 9.77705 8.20406 13.1614 4.78249 6.47164 9.65126 5.40635 numMergedOcc 0
18 mol 170 unq 1 iso 0 dist 6.35982 7.51126 6.24983 5.36359 7.19802 11.4359 4.78249 6.47164 9.65126 6.09207 numMergedOcc 0
19 mol 170 unq 2 iso 0 dist 6.35982 7.51126 6.24983 8.84552 7.75807 12.6193 4.78249 6.47164 9.65126 9.84933 numMergedOcc 0
20 mol 181 unq 0 iso 0 dist 6.46704 6.59025 9.87773 5.87996 8.91675 12.2464 6.28125 9.06571 9.88897 6.12433 numMergedOcc 0
21 mol 181 unq 1 iso 0 dist 6.46704 6.59025 9.87773 5.87996 8.91675 12.2464 6.50233 7.35884 11.6588 4.46602 numMergedOcc 0
22 mol 181 unq 2 iso 0 dist 5.9176 6.41453 9.53592 5.83639 6.2176 10.9996 10.6474 8.12266 12.6232 7.11838 numMergedOcc 0
23 mol 181 unq 3 iso 0 dist 5.9176 6.41453 9.53592 5.83639 6.2176 10.9996 5.12833 9.43306 8.4848 5.42919 numMergedOcc 0
24 mol 181 unq 4 iso 0 dist 5.9176 6.41453 9.53592 5.83639 6.2176 10.9996 4.61184 8.59681 10.6525 6.20414 numMergedOcc 0
25 mol 188 unq 0 iso 0 dist 7.14503 8.10214 9.01338 5.22586 6.65177 12.2849 9.71636 8.66624 11.506 10.8586 numMergedOcc 0
26 mol 194 unq 0 iso 0 dist 6.72379 8.29382 6.7294 12.3879 5.67863 10.1196 4.66791 9.00322 11.2491 14.0502 numMergedOcc 0
27 mol 234 unq 0 iso 0 dist 7.32499 6.30154 10.0708 13.1319 9.38888 15.3813 13.1872 7.77911 14.1037 4.76962 numMergedOcc 0
28 mol 235 unq 0 iso 0 dist 6.21292 6.95126 10.2834 6.55862 5.3481 11.0597 10.5354 7.39085 12.9086 4.81611 numMergedOcc 0
29 mol 274 unq 0 iso 0 dist 9.45514 6.39866 10.7637 10.0247 7.1364 14.6254 12.393 7.77765 10.0206 13.3529 numMergedOcc 0
30 mol 274 unq 1 iso 0 dist 9.45514 6.39866 10.7637 10.0247 7.1364 14.6254 8.87855 9.65868 8.60027 13.7073 numMergedOcc 0
31 mol 274 unq 2 iso 0 dist 6.39866 9.45514 10.7637 6.38211 5.0002 13.3884 8.87855 8.60027 9.65868 12.616 numMergedOcc 0
