0 mol 0 unq 0 iso 0 dist 9.94618 6.94181 14.0556 5.98788 7.06591 12.6486 5.47921 15.3785 7.15528 10.5702 numMergedOcc 0
1 mol 54 unq 0 iso 0 dist 6.10175 6.54183 10.1356 9.57335 11.14 4.15717 5.65405 5.59773 8.10861 10.1454 numMergedOcc 0
2 mol 54 unq 1 iso 0 dist 6.10175 6.54183 10.1356 8.60653 7.93241 5.99981 5.65405 5.59773 8.10861 7.21717 numMergedOcc 0
3 mol 75 unq 0 iso 0 dist 8.47302 8.2147 5.4217 9.3727 7.88316 10.1786 13.5815 13.0997 7.79912 17.1635 numMergedOcc 0
4 mol 119 unq 0 iso 0 dist 7.26463 8.88255 9.35307 8.61574 13.6411 9.89358 10.5726 15.5753 8.73993 9.23858 numMergedOcc 0
5 mol 156 unq 0 iso 0 dist 9.04176 9.68507 4.08699 6.40435 5.0315 6.03934 9.75709 10.543 7.66148 7.90267 numMergedOcc 0
6 mol 181 unq 0 iso 0 dist 8.03259 8.90247 6.94401 9.99409 9.21613 8.91338 5.114 11.2315 9.1374 8.90963 numMergedOcc 0
7 mol 181 unq 1 iso 0 dist 8.03259 8.90247 6.94401 9.99409 9.21613 8.91338 14.0828 14.2663 8.03334 16.082 numMergedOcc 0
8 mol 220 unq 0 iso 0 dist 8.58709 6.21273 4.90657 7.58118 4.39102 7.11498 5.1021 9.8711 9.23153 6.59716 numMergedOcc 0
9 mol 220 unq 1 iso 0 dist 8.58709 6.21273 4.90657 7.58118 4.39102 7.11498 6.29601 12.6756 8.24498 13.1498 numMergedOcc 0
10 mol 227 unq 0 iso 0 dist 7.99145 7.71761 11.4528 6.65275 5.75236 6.48027 5.841 9.17826 7.55216 5.41321 numMergedOcc 0
11 mol 239 unq 0 iso 0 dist 4.21935 6.83046 5.29737 9.25097 5.51771 9.59042 4.77446 6.37342 6.16342 11.5039 numMergedOcc 0
12 mol 256 unq 0 iso 0 dist 8.11884 5.98967 9.07441 9.31961 6.82173 7.7384 6.64029 14.2736 8.29103 12.7661 numMergedOcc 0
13 mol 280 unq 0 iso 0 dist 9.047 8.80588 14.1091 9.55885 4.6462 14.1713 8.30978 16.7212 6.53701 16.4957 numMergedOcc 0
14 mol 280 unq 1 iso 0 dist 9.047 8.80588 14.1091 9.55885 4.6462 14.1713 5.80223 13.1827 6.0664 14.3936 numMergedOcc 0
15 mol 280 unq 2 iso 0 dist 9.9227 8.80588 4.95798 9.55885 12.0238 14.1713 8.30978 11.1402 6.53701 16.4957 numMergedOcc 0
16 mol 280 unq 3 iso 0 dist 9.9227 8.80588 4.95798 9.55885 12.0238 14.1713 5.80223 8.85762 6.0664 14.3936 numMergedOcc 0
