0 mol 44 unq 0 iso 0 dist 5.06773 6.54204 9.16411 7.91356 9.17518 12.5896 numMergedOcc 0
1 mol 44 unq 1 iso 0 dist 5.06773 6.54204 9.16411 3.92405 8.21833 6.50809 numMergedOcc 0
2 mol 44 unq 2 iso 0 dist 8.2444 4.66466 9.16411 13.347 9.17518 12.5896 numMergedOcc 0
3 mol 44 unq 3 iso 0 dist 8.2444 4.66466 9.16411 7.61459 8.21833 6.50809 numMergedOcc 0
4 mol 56 unq 0 iso 0 dist 6.59067 10.3975 9.78177 10.8447 8.98797 15.7106 numMergedOcc 0
5 mol 56 unq 1 iso 0 dist 6.59067 12.3897 7.03635 10.8447 8.98797 6.41609 numMergedOcc 0
6 mol 68 unq 0 iso 0 dist 7.65992 6.84424 8.23849 12.7743 8.80104 14.3205 numMergedOcc 0
7 mol 68 unq 1 iso 0 dist 7.65992 13.5524 6.4776 12.7743 8.80104 6.71645 numMergedOcc 0
8 mol 71 unq 0 iso 0 dist 9.40222 10.5247 9.73011 6.01992 6.48531 4.96361 numMergedOcc 0
9 mol 71 unq 1 iso 0 dist 8.87417 12.2856 9.73011 8.73829 6.48531 4.96361 numMergedOcc 0
10 mol 130 unq 0 iso 0 dist 9.07483 5.48937 9.64516 6.91022 7.62145 8.88349 numMergedOcc 0
11 mol 151 unq 0 iso 0 dist 8.40211 8.34293 7.28671 11.5154 5.63814 6.76183 numMergedOcc 0
12 mol 151 unq 1 iso 0 dist 8.24746 7.90899 7.28671 9.34399 5.63814 6.76183 numMergedOcc 0
13 mol 158 unq 0 iso 0 dist 8.15524 12.9719 6.64084 10.1854 6.39981 8.64445 numMergedOcc 0
14 mol 205 unq 0 iso 0 dist 9.8747 14.6391 8.7062 7.13867 9.83885 16.424 numMergedOcc 0
15 mol 214 unq 0 iso 0 dist 8.45863 13.587 5.96047 5.23668 7.2498 10.6276 numMergedOcc 0
16 mol 255 unq 0 iso 0 dist 6.20513 10.6835 6.60415 10.4663 6.6475 4.88615 numMergedOcc 0
17 mol 255 unq 1 iso 0 dist 4.66522 8.11511 6.60415 6.29505 6.6475 4.88615 numMergedOcc 0
18 mol 272 unq 0 iso 0 dist 7.36125 10.894 8.34116 6.5996 6.45328 4.60751 numMergedOcc 0
