0 mol 8 unq 0 iso 0 dist 9.68072 6.27477 7.08043 6.1146 12.9683 7.8922 numMergedOcc 0
1 mol 44 unq 0 iso 0 dist 8.27424 7.16036 8.93739 9.32021 15.4353 7.52117 numMergedOcc 0
2 mol 44 unq 1 iso 0 dist 6.4519 7.16036 6.65149 9.32021 12.6274 7.52117 numMergedOcc 0
3 mol 52 unq 0 iso 0 dist 9.89949 7.68916 10.8037 9.24617 15.4704 9.66501 numMergedOcc 0
4 mol 114 unq 0 iso 0 dist 6.34761 5.87387 5.74067 11.3694 10.6245 6.34525 numMergedOcc 0
5 mol 131 unq 0 iso 0 dist 8.74464 6.38977 5.6098 6.53994 10.1423 8.86329 numMergedOcc 0
6 mol 131 unq 1 iso 0 dist 8.74464 9.69757 4.29914 6.53994 10.1423 8.71039 numMergedOcc 0
7 mol 131 unq 2 iso 0 dist 8.74464 9.69757 4.29914 13.4383 10.5132 6.92648 numMergedOcc 0
8 mol 148 unq 0 iso 0 dist 8.6499 7.38138 8.61198 3.97123 5.06687 7.97543 numMergedOcc 0
9 mol 150 unq 0 iso 0 dist 8.75339 7.34423 8.68422 3.98367 5.09809 7.85526 numMergedOcc 0
10 mol 159 unq 0 iso 0 dist 8.73427 7.78695 7.64659 6.47213 10.2416 7.25742 numMergedOcc 0
11 mol 186 unq 0 iso 0 dist 8.83021 8.08787 8.94975 7.39094 14.0385 7.28841 numMergedOcc 0
12 mol 204 unq 0 iso 0 dist 6.99474 7.92766 10.6493 10.2224 15.8349 6.85441 numMergedOcc 0
13 mol 227 unq 0 iso 0 dist 7.49227 6.18486 11.8065 5.98086 12.5215 5.87815 numMergedOcc 0
14 mol 259 unq 0 iso 0 dist 6.37648 9.47382 9.84081 15.3317 16.9143 8.55558 numMergedOcc 0
15 mol 272 unq 0 iso 0 dist 5.19015 7.66615 9.38679 6.43352 8.60979 9.19033 numMergedOcc 0
