0 mol 26 unq 0 iso 0 dist 7.34549 9.08976 11.887 8.82979 7.98005 16.138 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 7.34549 9.08976 11.887 3.63999 8.31381 10.343 numMergedOcc 0
2 mol 58 unq 0 iso 0 dist 7.66055 8.42365 8.48255 7.84103 7.4785 13.9198 numMergedOcc 0
3 mol 111 unq 0 iso 0 dist 7.42431 9.02541 7.59143 3.83194 9.06601 12.2574 numMergedOcc 0
4 mol 111 unq 1 iso 0 dist 7.42431 9.02541 7.59143 5.56913 5.98809 7.75479 numMergedOcc 0
5 mol 113 unq 0 iso 0 dist 9.57352 6.32393 8.69934 7.68828 8.99912 5.45882 numMergedOcc 0
6 mol 147 unq 0 iso 0 dist 7.4653 7.6489 5.08802 3.75216 8.39897 10.4624 numMergedOcc 0
7 mol 147 unq 1 iso 0 dist 7.95564 7.6489 8.54445 3.75216 9.03078 10.4624 numMergedOcc 0
8 mol 152 unq 0 iso 0 dist 9.37459 9.65224 9.73393 10.6933 6.79114 12.792 numMergedOcc 0
9 mol 152 unq 1 iso 0 dist 9.37459 9.65224 9.73393 5.0146 7.59457 10.8278 numMergedOcc 0
10 mol 152 unq 2 iso 0 dist 9.0847 9.65224 12.8308 5.0146 9.00072 10.8278 numMergedOcc 0
11 mol 152 unq 3 iso 0 dist 6.00061 9.65224 6.56944 5.0146 7.55419 10.8278 numMergedOcc 0
12 mol 174 unq 0 iso 0 dist 6.90813 8.79469 8.37744 6.4785 5.61673 12.194 numMergedOcc 0
13 mol 178 unq 0 iso 0 dist 7.14849 8.71031 5.25267 8.84201 4.72821 9.8525 numMergedOcc 0
14 mol 196 unq 0 iso 0 dist 7.84536 7.85296 8.91474 5.97525 4.67869 10.4167 numMergedOcc 0
15 mol 196 unq 1 iso 0 dist 7.07723 8.2841 8.91474 4.22321 4.67869 10.4167 numMergedOcc 0
16 mol 205 unq 0 iso 0 dist 6.04106 9.70674 6.23291 3.95968 7.13783 12.4189 numMergedOcc 0
17 mol 265 unq 0 iso 0 dist 6.78702 7.74463 6.43013 3.5393 5.7944 8.03604 numMergedOcc 0
18 mol 265 unq 1 iso 0 dist 8.59825 5.88787 5.51535 3.99477 5.7944 5.94614 numMergedOcc 0
19 mol 265 unq 2 iso 0 dist 7.83102 5.88787 4.65134 13.3937 9.28128 13.5427 numMergedOcc 0
20 mol 292 unq 0 iso 0 dist 7.11081 8.66938 12.1551 4.94483 9.96374 3.93401 numMergedOcc 0
21 mol 292 unq 1 iso 0 dist 7.11081 8.66938 12.1551 3.70851 5.41432 11.613 numMergedOcc 0
