0 mol 26 unq 0 iso 0 dist 9.34599 6.32127 4.36675 14.7857 7.22361 11.4325 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 9.34599 6.32127 4.36675 7.23962 6.15893 5.497 numMergedOcc 0
2 mol 26 unq 2 iso 0 dist 6.32127 9.34599 4.36675 7.23962 5.497 6.15893 numMergedOcc 0
3 mol 27 unq 0 iso 0 dist 6.75307 7.24775 9.51391 3.71754 8.71752 7.60283 numMergedOcc 0
4 mol 27 unq 1 iso 0 dist 7.24775 6.75307 9.51391 3.71754 7.60283 8.71752 numMergedOcc 0
5 mol 87 unq 0 iso 0 dist 7.14461 9.03196 10.3274 5.75754 7.2268 14.1076 numMergedOcc 0
6 mol 87 unq 1 iso 0 dist 7.14461 9.03196 10.3274 7.55769 8.31175 13.0326 numMergedOcc 0
7 mol 141 unq 0 iso 0 dist 5.80081 6.49728 6.33946 9.31967 4.25566 7.31037 numMergedOcc 0
8 mol 141 unq 1 iso 0 dist 5.80081 6.49728 6.33946 10.5556 6.63171 12.7865 numMergedOcc 0
9 mol 141 unq 2 iso 0 dist 5.80081 6.49728 6.33946 10.0306 7.67273 11.4979 numMergedOcc 0
10 mol 141 unq 3 iso 0 dist 9.45931 6.35397 6.59975 14.0561 7.31037 13.4855 numMergedOcc 0
11 mol 141 unq 4 iso 0 dist 6.49728 5.80081 6.33946 9.31967 7.31037 4.25566 numMergedOcc 0
12 mol 153 unq 0 iso 0 dist 5.87327 6.36853 6.00956 5.6219 9.75856 10.4351 numMergedOcc 0
13 mol 186 unq 0 iso 0 dist 8.89293 9.38735 6.68665 6.29996 8.97471 9.82146 numMergedOcc 0
14 mol 188 unq 0 iso 0 dist 6.1338 9.0939 6.28555 7.47532 9.33696 14.0854 numMergedOcc 0
15 mol 227 unq 0 iso 0 dist 9.84311 5.87056 11.362 13.1968 7.57454 12.2922 numMergedOcc 0
16 mol 227 unq 1 iso 0 dist 9.84311 8.85568 12.8418 13.1968 7.57454 18.6281 numMergedOcc 0
17 mol 227 unq 2 iso 0 dist 8.85568 5.87056 10.7525 5.31715 9.28891 10.4957 numMergedOcc 0
18 mol 227 unq 3 iso 0 dist 8.85568 9.84311 12.8418 5.31715 9.28891 13.792 numMergedOcc 0
19 mol 272 unq 0 iso 0 dist 9.17894 9.1926 12 11.7057 9.24417 18.9922 numMergedOcc 0
20 mol 279 unq 0 iso 0 dist 7.37358 9.36891 11.1423 10.1998 9.24367 18.5216 numMergedOcc 0
