0 mol 0 unq 0 iso 0 dist 6.31889 5.14913 6.91778 13.3779 10.9859 8.82102 11.903 9.15528 7.65806 4.87624 numMergedOcc 0
1 mol 92 unq 0 iso 0 dist 9.18898 4.52119 6.95572 5.74364 9.52463 4.98104 11.8917 9.50382 7.4729 10.7572 numMergedOcc 0
2 mol 92 unq 1 iso 0 dist 9.18898 4.52119 6.95572 5.74364 9.52463 4.98104 9.79361 7.56363 6.82344 5.50764 numMergedOcc 0
3 mol 92 unq 2 iso 0 dist 7.67331 4.52119 7.38677 5.74364 6.07224 4.98104 11.8917 12.7565 7.4729 10.7572 numMergedOcc 0
4 mol 92 unq 3 iso 0 dist 7.67331 4.52119 7.38677 5.74364 6.07224 4.98104 9.79361 5.91004 6.82344 5.50764 numMergedOcc 0
5 mol 114 unq 0 iso 0 dist 8.96382 8.14567 6.84011 15.8883 12.5697 8.42445 12.7833 7.436 7.5732 7.18757 numMergedOcc 0
6 mol 126 unq 0 iso 0 dist 8.97111 4.84035 6.30546 12.7621 4.43093 9.06961 8.32241 6.0268 6.06638 9.07346 numMergedOcc 0
7 mol 133 unq 0 iso 0 dist 8.6561 10.0114 9.97654 17.2285 11.7748 9.48243 10.3751 4.34568 9.91388 11.6637 numMergedOcc 0
8 mol 133 unq 1 iso 0 dist 9.04845 13.7612 5.87634 8.3243 4.7146 6.11955 11.3707 4.54648 6.80239 7.96098 numMergedOcc 0
9 mol 133 unq 2 iso 0 dist 7.94325 12.9605 5.87634 8.95239 4.7146 6.11955 11.8159 4.54648 6.80239 7.96098 numMergedOcc 0
10 mol 133 unq 3 iso 0 dist 6.72323 4.64588 5.87634 6.23615 4.7146 6.11955 5.82404 4.54648 6.80239 7.96098 numMergedOcc 0
11 mol 181 unq 0 iso 0 dist 6.95568 4.11061 6.59025 10.2388 11.2787 7.44191 11.5719 8.04639 8.03334 9.60754 numMergedOcc 0
12 mol 181 unq 1 iso 0 dist 6.95568 4.11061 6.59025 4.96259 5.87168 6.00053 11.5719 8.04639 8.03334 11.1879 numMergedOcc 0
13 mol 197 unq 0 iso 0 dist 7.40027 5.29309 6.92924 10.2079 10.3181 8.64255 11.6279 5.41996 8.56633 11.8861 numMergedOcc 0
14 mol 197 unq 1 iso 0 dist 8.98598 4.57437 7.50013 7.56537 4.91904 8.64255 12.5442 8.46623 8.56633 11.8861 numMergedOcc 0
15 mol 197 unq 2 iso 0 dist 7.06689 4.57437 5.81233 7.56537 7.59634 8.64255 12.5442 10.7305 8.56633 11.8861 numMergedOcc 0
16 mol 197 unq 3 iso 0 dist 9.69601 4.57437 6.92924 7.56537 10.3181 8.64255 12.5442 5.41996 8.56633 11.8861 numMergedOcc 0
17 mol 205 unq 0 iso 0 dist 5.86419 4.78067 4.8668 6.09754 5.42117 8.43584 13.2374 9.13652 9.61492 12.4616 numMergedOcc 0
18 mol 205 unq 1 iso 0 dist 5.86419 4.78067 4.8668 6.09754 5.42117 8.43584 9.34594 5.8535 7.45763 10.6123 numMergedOcc 0
19 mol 205 unq 2 iso 0 dist 7.23557 4.2475 4.8668 10.7582 5.42117 8.43584 13.2057 9.13652 9.61492 12.4616 numMergedOcc 0
20 mol 205 unq 3 iso 0 dist 7.23557 4.2475 4.8668 10.7582 5.42117 8.43584 6.752 5.8535 7.45763 10.6123 numMergedOcc 0
21 mol 205 unq 4 iso 0 dist 8.86587 6.8901 4.8668 13.5379 5.42117 8.43584 13.3164 9.13652 9.61492 12.4616 numMergedOcc 0
22 mol 205 unq 5 iso 0 dist 8.86587 6.8901 4.8668 13.5379 5.42117 8.43584 5.4913 5.8535 7.45763 10.6123 numMergedOcc 0
23 mol 220 unq 0 iso 0 dist 7.4513 8.0303 6.59716 10.0343 4.39102 9.8711 10.6535 7.11498 9.23153 4.90657 numMergedOcc 0
24 mol 249 unq 0 iso 0 dist 6.58109 9.9244 5.48118 16.4542 10.4369 7.29898 15.0261 10.7772 7.57994 6.6173 numMergedOcc 0
25 mol 249 unq 1 iso 0 dist 6.58109 9.9244 5.48118 16.4542 10.4369 7.29898 10.454 7.04666 6.18582 8.95486 numMergedOcc 0
26 mol 249 unq 2 iso 0 dist 6.58109 9.9244 5.48118 18.325 13.4788 8.91685 15.0261 10.7772 7.57994 5.25611 numMergedOcc 0
27 mol 249 unq 3 iso 0 dist 6.58109 9.9244 5.48118 18.325 13.4788 8.91685 10.454 7.04666 6.18582 9.66184 numMergedOcc 0
28 mol 274 unq 0 iso 0 dist 9.11072 9.85454 9.85289 18.1111 14.679 9.696 12.6706 6.20558 7.56915 10.7962 numMergedOcc 0
29 mol 274 unq 1 iso 0 dist 9.11072 9.85454 9.85289 18.1111 14.679 9.696 16.6696 11.4459 8.49997 5.1874 numMergedOcc 0
30 mol 274 unq 2 iso 0 dist 9.02071 5.9882 9.85289 15.4711 14.679 9.696 9.71801 6.20558 7.56915 10.7962 numMergedOcc 0
31 mol 274 unq 3 iso 0 dist 9.02071 5.9882 9.85289 15.4711 14.679 9.696 13.4994 11.4459 8.49997 5.1874 numMergedOcc 0
