0 mol 54 unq 0 iso 0 dist 6.72872 5.64505 8.62769 7.72003 7.16132 5.17091 numMergedOcc 0
1 mol 54 unq 1 iso 0 dist 6.72872 9.04212 6.09782 7.72003 7.16132 10.763 numMergedOcc 0
2 mol 56 unq 0 iso 0 dist 5.84326 7.84309 8.54845 11.3819 9.2898 5.37928 numMergedOcc 0
3 mol 95 unq 0 iso 0 dist 6.86713 7.82029 8.26838 12.4753 8.27883 8.32734 numMergedOcc 0
4 mol 95 unq 1 iso 0 dist 6.86713 7.82029 8.26838 6.52247 5.75428 4.79063 numMergedOcc 0
5 mol 95 unq 2 iso 0 dist 6.86713 7.82029 8.26838 5.89506 8.57395 4.05985 numMergedOcc 0
6 mol 95 unq 3 iso 0 dist 6.86713 7.82029 8.26838 6.40728 9.85409 12.6917 numMergedOcc 0
7 mol 112 unq 0 iso 0 dist 7.85583 13.6213 9.43616 10.864 8.47988 6.13615 numMergedOcc 0
8 mol 112 unq 1 iso 0 dist 7.85583 13.6213 9.43616 9.95307 8.0427 4.49971 numMergedOcc 0
9 mol 112 unq 2 iso 0 dist 8.86938 14.3632 9.43616 9.50897 8.47988 6.13615 numMergedOcc 0
10 mol 112 unq 3 iso 0 dist 8.86938 14.3632 9.43616 11.9673 8.0427 4.49971 numMergedOcc 0
11 mol 134 unq 0 iso 0 dist 8.84656 11.831 5.67862 14.2595 9.33924 7.77359 numMergedOcc 0
12 mol 134 unq 1 iso 0 dist 8.84656 11.831 5.67862 15.9796 7.93372 10.8891 numMergedOcc 0
13 mol 143 unq 0 iso 0 dist 7.73769 4.82452 5.30872 4.33589 5.37047 5.88056 numMergedOcc 0
14 mol 154 unq 0 iso 0 dist 7.34207 10.3386 9.04554 13.1744 8.33439 5.93188 numMergedOcc 0
15 mol 162 unq 0 iso 0 dist 5.21803 10.3808 9.42819 4.6728 7.37333 8.39434 numMergedOcc 0
16 mol 162 unq 1 iso 0 dist 5.21803 10.3808 9.42819 7.06734 7.45998 4.92282 numMergedOcc 0
17 mol 186 unq 0 iso 0 dist 8.77347 4.17694 7.45401 8.69152 6.61112 5.85073 numMergedOcc 0
18 mol 232 unq 0 iso 0 dist 7.57253 13.2803 7.47238 8.96601 6.71524 6.2559 numMergedOcc 0
19 mol 264 unq 0 iso 0 dist 8.85887 6.02878 6.80096 12.6528 9.58916 8.11813 numMergedOcc 0
20 mol 284 unq 0 iso 0 dist 7.43241 5.38165 7.34344 11.847 5.83329 12.1528 numMergedOcc 0
21 mol 285 unq 0 iso 0 dist 9.82717 16.9394 7.66291 13.1909 7.80862 10.9224 numMergedOcc 0
22 mol 285 unq 1 iso 0 dist 8.33653 5.60271 7.66291 12.4844 7.80862 10.9224 numMergedOcc 0
23 mol 285 unq 2 iso 0 dist 6.44657 4.8011 7.66291 7.67857 7.80862 10.9224 numMergedOcc 0
