0 mol 53 unq 0 iso 0 dist 7.94701 5.07389 5.63499 11.7667 6.7198 7.11695 numMergedOcc 0
1 mol 53 unq 1 iso 0 dist 7.94701 5.07389 5.63499 11.102 10.1162 7.58093 numMergedOcc 0
2 mol 76 unq 0 iso 0 dist 9.33989 6.69911 6.55112 14.6648 6.14439 9.4866 numMergedOcc 0
3 mol 76 unq 1 iso 0 dist 9.33989 6.69911 6.55112 8.6411 5.70125 9.40363 numMergedOcc 0
4 mol 76 unq 2 iso 0 dist 8.57953 3.94216 6.55112 12.6331 6.14439 9.4866 numMergedOcc 0
5 mol 76 unq 3 iso 0 dist 8.57953 3.94216 6.55112 8.94956 5.70125 9.40363 numMergedOcc 0
6 mol 114 unq 0 iso 0 dist 8.79677 13.0649 8.40389 16.206 10.7702 5.51885 numMergedOcc 0
7 mol 128 unq 0 iso 0 dist 8.83811 5.32851 5.64587 9.01192 5.40594 6.47811 numMergedOcc 0
8 mol 133 unq 0 iso 0 dist 9.48694 17.5356 8.88752 21.7545 14.4059 8.55349 numMergedOcc 0
9 mol 133 unq 1 iso 0 dist 6.65267 3.84992 8.88752 12.1232 14.4059 8.55349 numMergedOcc 0
10 mol 155 unq 0 iso 0 dist 8.02356 5.05961 8.99128 9.75385 6.51504 7.29911 numMergedOcc 0
11 mol 155 unq 1 iso 0 dist 8.02356 5.05961 8.99128 8.02593 6.6805 5.36254 numMergedOcc 0
12 mol 168 unq 0 iso 0 dist 5.60956 8.01699 5.51167 12.2539 7.08042 7.06851 numMergedOcc 0
13 mol 181 unq 0 iso 0 dist 5.13534 4.76079 5.97971 5.83596 5.20775 6.76746 numMergedOcc 0
14 mol 195 unq 0 iso 0 dist 9.35664 14.1853 9.20541 16.9869 10.9358 5.87439 numMergedOcc 0
15 mol 195 unq 1 iso 0 dist 9.35664 14.1853 9.20541 13.5753 7.60158 8.18059 numMergedOcc 0
16 mol 195 unq 2 iso 0 dist 9.35664 6.61517 6.65077 14.9263 6.80353 9.74988 numMergedOcc 0
17 mol 195 unq 3 iso 0 dist 9.04342 8.79306 8.84149 14.3903 7.56699 9.32333 numMergedOcc 0
18 mol 220 unq 0 iso 0 dist 8.12934 7.79226 7.03532 12.2614 7.13875 8.31974 numMergedOcc 0
19 mol 238 unq 0 iso 0 dist 5.83514 3.68226 5.52788 13.4351 13.4031 9.84652 numMergedOcc 0
20 mol 247 unq 0 iso 0 dist 9.75065 7.1875 6.84199 14.3035 9.54655 8.53041 numMergedOcc 0
21 mol 287 unq 0 iso 0 dist 6.96248 11.9352 8.43856 16.5314 9.88579 8.9466 numMergedOcc 0
22 mol 288 unq 0 iso 0 dist 6.96248 11.9352 8.43856 16.5314 9.88579 8.9466 numMergedOcc 0
23 mol 289 unq 0 iso 0 dist 6.96248 11.9352 8.43856 16.5314 9.88579 8.9466 numMergedOcc 0
