0 mol 7 unq 0 iso 0 dist 6.22892 12.1855 9.87885 12.0214 10.2446 8.15894 14.6751 10.5461 7.12508 5.72491 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 6.22892 12.1855 9.87885 12.0214 10.2446 8.15894 7.15287 8.41585 12.8323 7.88043 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 6.22892 12.1855 9.87885 11.7931 12.3097 8.45544 7.15287 8.41585 12.8323 8.80762 numMergedOcc 0
3 mol 9 unq 0 iso 0 dist 9.47321 6.24734 5.8245 12.2499 3.98483 7.05919 5.91584 8.57077 5.84314 9.78006 numMergedOcc 0
4 mol 68 unq 0 iso 0 dist 7.45675 11.3486 6.17207 16.4631 9.32986 9.45329 16.7707 10.6668 5.74372 7.9814 numMergedOcc 0
5 mol 112 unq 0 iso 0 dist 8.35164 6.13615 9.02706 10.7806 10.1567 4.99604 10.746 11.5121 6.95317 6.43433 numMergedOcc 0
6 mol 112 unq 1 iso 0 dist 8.35164 6.13615 9.02706 10.7806 10.1567 4.99604 14.9116 16.5915 10.9279 9.92283 numMergedOcc 0
7 mol 112 unq 2 iso 0 dist 9.43616 6.13615 8.47988 10.7806 8.56707 4.99604 10.746 7.71338 6.95317 6.43433 numMergedOcc 0
8 mol 112 unq 3 iso 0 dist 9.43616 6.13615 8.47988 10.7806 8.56707 4.99604 14.9116 12.603 10.9279 9.92283 numMergedOcc 0
9 mol 115 unq 0 iso 0 dist 7.44784 6.3642 6.04595 8.99731 5.61704 8.4965 7.64822 7.30858 5.03039 5.72642 numMergedOcc 0
10 mol 143 unq 0 iso 0 dist 5.30872 5.88056 5.37047 12.697 9.23795 8.612 6.3915 5.99315 4.78563 7.25673 numMergedOcc 0
11 mol 152 unq 0 iso 0 dist 6.98781 6.78963 6.41689 13.2839 9.22869 6.92726 18.9014 17.7925 12.4535 9.77552 numMergedOcc 0
12 mol 152 unq 1 iso 0 dist 6.98781 6.78963 6.41689 13.2839 9.22869 6.92726 15.7028 14.2459 9.84297 8.28642 numMergedOcc 0
13 mol 170 unq 0 iso 0 dist 7.15418 10.4801 9.08274 9.91057 5.95519 5.13268 15.2278 12.8281 4.78249 8.15099 numMergedOcc 0
14 mol 222 unq 0 iso 0 dist 7.27481 12.9462 6.74196 9.04499 6.42798 7.97027 15.0199 12.6531 9.01393 9.2581 numMergedOcc 0
15 mol 222 unq 1 iso 0 dist 7.27481 12.9462 6.74196 9.04499 6.42798 7.97027 8.88 11.8674 13.3586 9.62632 numMergedOcc 0
16 mol 222 unq 2 iso 0 dist 7.27481 12.9462 6.74196 9.04499 6.42798 7.97027 5.68063 6.00706 8.84507 7.862 numMergedOcc 0
17 mol 222 unq 3 iso 0 dist 7.27481 9.50604 8.36842 9.04499 6.42798 4.9876 15.0199 12.6531 5.64455 9.2581 numMergedOcc 0
18 mol 222 unq 4 iso 0 dist 7.27481 9.50604 8.36842 9.04499 6.42798 4.9876 8.88 11.8674 5.9478 9.62632 numMergedOcc 0
19 mol 222 unq 5 iso 0 dist 7.27481 9.50604 8.36842 9.04499 6.42798 4.9876 5.68063 6.00706 6.02502 7.862 numMergedOcc 0
20 mol 264 unq 0 iso 0 dist 6.80096 8.11813 9.58916 10.2338 10.1591 7.14086 10.9578 12.864 11.4167 6.04162 numMergedOcc 0
21 mol 264 unq 1 iso 0 dist 6.80096 8.11813 9.58916 10.2338 10.1591 7.14086 14.2937 13.9815 13.2035 6.14323 numMergedOcc 0
