0 mol 4 unq 0 iso 0 dist 9.30799 5.65298 9.15878 11.314 5.39008 12.7019 4.28831 7.29079 4.01547 9.39293 numMergedOcc 0
1 mol 37 unq 0 iso 0 dist 7.28798 5.50862 7.17889 5.49213 6.82081 4.41085 11.2688 9.86496 6.6276 6.60479 numMergedOcc 0
2 mol 37 unq 1 iso 0 dist 7.28798 9.34813 8.38803 5.49213 6.82081 10.3951 11.2688 9.86496 10.8321 6.60479 numMergedOcc 0
3 mol 46 unq 0 iso 0 dist 6.64844 4.76522 5.02642 10.0955 7.43338 7.35107 8.59614 7.44805 9.83606 8.28528 numMergedOcc 0
4 mol 76 unq 0 iso 0 dist 9.49371 3.98395 8.92491 11.3498 9.26231 9.81264 15.9372 9.50939 13.3471 14.6307 numMergedOcc 0
5 mol 76 unq 1 iso 0 dist 9.49371 14.6064 7.41861 11.3498 9.26231 7.01534 15.9372 9.50939 9.68005 14.6307 numMergedOcc 0
6 mol 76 unq 2 iso 0 dist 5.05941 10.3277 8.92491 8.10722 9.26231 9.81264 14.3512 9.50939 13.3471 14.6307 numMergedOcc 0
7 mol 76 unq 3 iso 0 dist 5.05941 9.02965 7.41861 8.10722 9.26231 7.01534 14.3512 9.50939 9.68005 14.6307 numMergedOcc 0
8 mol 76 unq 4 iso 0 dist 9.66942 10.7432 8.92491 5.66928 9.26231 9.81264 17.8535 9.50939 13.3471 14.6307 numMergedOcc 0
9 mol 76 unq 5 iso 0 dist 9.66942 10.6763 7.41861 5.66928 9.26231 7.01534 17.8535 9.50939 9.68005 14.6307 numMergedOcc 0
10 mol 83 unq 0 iso 0 dist 9.55654 8.00727 6.77845 12.3414 7.9309 5.83828 11.7587 5.13041 5.31562 6.60457 numMergedOcc 0
11 mol 83 unq 1 iso 0 dist 9.55654 6.0402 5.48555 12.3414 7.9309 7.62986 11.7587 5.13041 8.56578 6.60457 numMergedOcc 0
12 mol 83 unq 2 iso 0 dist 9.55654 12.2939 5.39805 12.3414 7.9309 3.52321 11.7587 5.13041 3.7497 6.60457 numMergedOcc 0
13 mol 171 unq 0 iso 0 dist 9.94668 12.5652 9.1056 7.73766 4.59484 7.47696 13.7953 8.82481 5.58661 6.65338 numMergedOcc 0
14 mol 186 unq 0 iso 0 dist 8.39237 6.59916 6.36789 15.2663 9.60838 9.85164 16.123 8.92335 12.2056 5.21542 numMergedOcc 0
15 mol 192 unq 0 iso 0 dist 5.91901 14.58 9.78743 5.88368 5.83093 9.99333 4.95833 7.97601 16.7863 9.42206 numMergedOcc 0
16 mol 225 unq 0 iso 0 dist 8.621 11.3391 6.97662 13.2093 7.0412 5.60637 3.64687 6.35772 7.99586 9.71885 numMergedOcc 0
17 mol 239 unq 0 iso 0 dist 7.90944 10.9366 4.53228 14.6255 7.10828 4.53635 8.39487 5.4687 6.29809 10.0889 numMergedOcc 0
18 mol 239 unq 1 iso 0 dist 7.90944 10.3819 8.54078 14.6255 7.10828 9.93977 8.39487 5.4687 8.19053 10.0889 numMergedOcc 0
