0 mol 4 unq 0 iso 0 dist 7.53929 4.54643 6.05231 10.9021 6.5845 8.00865 numMergedOcc 0
1 mol 34 unq 0 iso 0 dist 9.12062 6.00825 5.68877 14.5043 9.52807 8.71284 numMergedOcc 0
2 mol 44 unq 0 iso 0 dist 7.73902 4.29306 7.41011 10.097 10.0797 5.81645 numMergedOcc 0
3 mol 44 unq 1 iso 0 dist 7.73902 4.29306 7.41011 9.91882 6.29545 6.75026 numMergedOcc 0
4 mol 74 unq 0 iso 0 dist 9.49407 12.5461 8.46495 11.6095 11.3868 5.65212 numMergedOcc 0
5 mol 154 unq 0 iso 0 dist 5.67586 8.1325 8.5081 11.7413 9.10645 5.76862 numMergedOcc 0
6 mol 154 unq 1 iso 0 dist 5.67586 8.1325 8.5081 5.57798 4.02111 5.92763 numMergedOcc 0
7 mol 156 unq 0 iso 0 dist 6.72426 13.2289 9.13184 5.42285 6.11369 8.32841 numMergedOcc 0
8 mol 156 unq 1 iso 0 dist 6.72426 13.2289 9.13184 9.45647 8.26792 6.00295 numMergedOcc 0
9 mol 156 unq 2 iso 0 dist 6.72426 6.91184 7.27593 6.01599 4.33572 6.10069 numMergedOcc 0
10 mol 156 unq 3 iso 0 dist 6.72426 6.91184 7.27593 5.42285 6.11369 6.56065 numMergedOcc 0
11 mol 186 unq 0 iso 0 dist 6.76781 6.29823 6.64749 5.31279 4.11297 5.77158 numMergedOcc 0
12 mol 186 unq 1 iso 0 dist 9.51189 8.48271 6.64749 12.0474 4.11297 5.77158 numMergedOcc 0
13 mol 241 unq 0 iso 0 dist 5.66945 4.51587 7.30582 12.5883 10.7816 9.14228 numMergedOcc 0
14 mol 241 unq 1 iso 0 dist 8.6399 5.41529 7.44279 10.0013 9.73806 9.04127 numMergedOcc 0
15 mol 256 unq 0 iso 0 dist 9.59101 7.51657 8.88264 16.4001 12.1216 9.31961 numMergedOcc 0
16 mol 257 unq 0 iso 0 dist 7.5977 9.42207 9.27027 13.8807 12.4553 6.8256 numMergedOcc 0
17 mol 260 unq 0 iso 0 dist 7.46 7.3067 6.23198 11.6011 5.33186 8.80499 numMergedOcc 0
18 mol 260 unq 1 iso 0 dist 6.71406 7.3067 8.82216 11.6011 6.74187 8.80499 numMergedOcc 0
19 mol 277 unq 0 iso 0 dist 6.01542 5.57184 7.91992 7.64361 4.60075 7.88238 numMergedOcc 0
20 mol 292 unq 0 iso 0 dist 7.60019 4.99483 7.40069 10.4203 9.58852 9.55425 numMergedOcc 0
