0 mol 24 unq 0 iso 0 dist 6.11056 8.94703 4.79736 13.7241 9.90845 9.03541 numMergedOcc 0
1 mol 25 unq 0 iso 0 dist 8.88413 8.27137 11.4148 5.89178 14.4726 9.94577 numMergedOcc 0
2 mol 25 unq 1 iso 0 dist 9.87281 8.27137 14.1577 5.89178 14.544 9.94577 numMergedOcc 0
3 mol 25 unq 2 iso 0 dist 7.63928 8.27137 14.321 5.89178 12.0581 9.94577 numMergedOcc 0
4 mol 26 unq 0 iso 0 dist 6.89136 9.37435 7.12408 6.90106 8.94292 9.21084 numMergedOcc 0
5 mol 58 unq 0 iso 0 dist 6.36193 8.85156 4.23671 7.63046 7.84983 8.63912 numMergedOcc 0
6 mol 58 unq 1 iso 0 dist 4.88613 8.85156 5.6823 7.63046 9.56737 8.63912 numMergedOcc 0
7 mol 71 unq 0 iso 0 dist 9.50139 9.47964 11.9362 13.6309 16.3253 8.23389 numMergedOcc 0
8 mol 76 unq 0 iso 0 dist 6.4551 6.63973 6.77898 15.9053 13.2454 9.3711 numMergedOcc 0
9 mol 115 unq 0 iso 0 dist 5.02717 6.31773 5.03039 7.4889 11.1013 8.32738 numMergedOcc 0
10 mol 119 unq 0 iso 0 dist 8.82535 9.10803 9.20252 10.872 14.5777 6.39945 numMergedOcc 0
11 mol 119 unq 1 iso 0 dist 8.82535 9.10803 9.20252 12.1048 15.1547 7.14258 numMergedOcc 0
12 mol 119 unq 2 iso 0 dist 6.18763 9.10803 9.85023 10.872 13.3876 6.39945 numMergedOcc 0
13 mol 119 unq 3 iso 0 dist 6.18763 9.10803 9.85023 12.1048 15.6032 7.14258 numMergedOcc 0
14 mol 119 unq 4 iso 0 dist 8.44385 9.10803 12.4829 10.872 16.4385 6.39945 numMergedOcc 0
15 mol 119 unq 5 iso 0 dist 8.44385 9.10803 12.4829 12.1048 13.6653 7.14258 numMergedOcc 0
16 mol 119 unq 6 iso 0 dist 5.63005 9.10803 8.84069 10.872 11.7808 6.39945 numMergedOcc 0
17 mol 119 unq 7 iso 0 dist 5.63005 9.10803 8.84069 12.1048 9.42766 7.14258 numMergedOcc 0
18 mol 130 unq 0 iso 0 dist 5.49877 5.82945 4.97996 6.44931 10.0634 6.98077 numMergedOcc 0
19 mol 186 unq 0 iso 0 dist 8.96988 9.18289 13.0315 9.45075 14.3315 7.7734 numMergedOcc 0
20 mol 205 unq 0 iso 0 dist 8.10287 8.69512 6.37317 14.2869 11.0135 8.71347 numMergedOcc 0
21 mol 205 unq 1 iso 0 dist 5.4913 8.69512 12.8695 14.2869 17.5542 8.71347 numMergedOcc 0
22 mol 206 unq 0 iso 0 dist 9.78438 8.79378 7.89575 4.58247 9.72979 5.83021 numMergedOcc 0
23 mol 206 unq 1 iso 0 dist 9.78438 8.79378 7.89575 9.70849 15.8867 9.18711 numMergedOcc 0
24 mol 238 unq 0 iso 0 dist 9.66555 6.96382 6.82305 15.2081 10.2654 8.28643 numMergedOcc 0
25 mol 266 unq 0 iso 0 dist 8.59986 6.22195 4.74189 7.00525 12.6622 9.0208 numMergedOcc 0
26 mol 266 unq 1 iso 0 dist 8.59986 6.22195 4.74189 9.84205 13.2769 9.30393 numMergedOcc 0
27 mol 268 unq 0 iso 0 dist 9.50733 9.60966 8.66446 3.5334 10.1675 8.87653 numMergedOcc 0
