0 mol 26 unq 0 iso 0 dist 6.25761 9.53735 10.4631 6.46053 7.10804 15.3526 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 6.25761 9.53735 10.4631 14.8485 8.64424 16.5419 numMergedOcc 0
2 mol 54 unq 0 iso 0 dist 7.34695 5.0478 5.01159 6.11985 4.22514 6.54052 numMergedOcc 0
3 mol 69 unq 0 iso 0 dist 7.33408 5.58337 5.45603 11.4538 9.62215 11.2781 numMergedOcc 0
4 mol 120 unq 0 iso 0 dist 8.57865 7.41599 4.36082 5.34896 9.9815 8.19198 numMergedOcc 0
5 mol 141 unq 0 iso 0 dist 5.77703 9.45931 13.1683 6.32248 5.43078 15.7311 numMergedOcc 0
6 mol 141 unq 1 iso 0 dist 5.77703 6.35397 9.00056 6.32248 5.43078 11.5392 numMergedOcc 0
7 mol 156 unq 0 iso 0 dist 6.32577 6.97467 5.80433 14.4552 8.46608 10.5981 numMergedOcc 0
8 mol 165 unq 0 iso 0 dist 7.29604 8.67001 4.91809 6.29065 6.62466 10.6242 numMergedOcc 0
9 mol 181 unq 0 iso 0 dist 6.50055 5.6688 5.71112 6.57868 8.99149 5.87853 numMergedOcc 0
10 mol 184 unq 0 iso 0 dist 6.66619 5.11863 4.84884 9.99562 8.45309 11.7661 numMergedOcc 0
11 mol 224 unq 0 iso 0 dist 8.01717 6.74767 4.63072 4.02994 6.9486 7.62513 numMergedOcc 0
12 mol 238 unq 0 iso 0 dist 5.42362 8.03226 6.77421 10.4227 9.72321 15.4132 numMergedOcc 0
13 mol 253 unq 0 iso 0 dist 8.0425 7.06589 5.01342 12.9772 9.46063 13.3717 numMergedOcc 0
14 mol 253 unq 1 iso 0 dist 7.0141 8.70383 5.01342 7.55885 9.46063 13.3717 numMergedOcc 0
15 mol 278 unq 0 iso 0 dist 7.46794 9.58671 7.41736 6.24272 7.99979 12.2986 numMergedOcc 0
16 mol 278 unq 1 iso 0 dist 7.46794 9.58671 7.41736 9.00229 8.0742 8.91606 numMergedOcc 0
17 mol 287 unq 0 iso 0 dist 9.13071 8.82948 7.26562 14.6038 8.01428 11.8219 numMergedOcc 0
18 mol 288 unq 0 iso 0 dist 9.13071 8.82948 7.26562 14.6038 8.01428 11.8219 numMergedOcc 0
19 mol 289 unq 0 iso 0 dist 9.13071 8.82948 7.26562 14.6038 8.01428 11.8219 numMergedOcc 0
