0 mol 0 unq 0 iso 0 dist 7.79297 11.9798 8.82102 11.7303 7.65806 4.87624 13.1893 6.80481 9.66691 10.7838 numMergedOcc 0
1 mol 58 unq 0 iso 0 dist 9.81637 4.95437 7.84983 11.9429 6.62496 11.5882 12.1036 4.23671 8.63912 10.2845 numMergedOcc 0
2 mol 92 unq 0 iso 0 dist 9.8079 11.4622 4.98104 5.182 7.4729 10.7572 10.3799 4.46885 8.67475 8.3773 numMergedOcc 0
3 mol 92 unq 1 iso 0 dist 9.8079 11.4622 4.98104 10.571 6.82344 5.50764 10.3799 4.46885 8.67475 11.1432 numMergedOcc 0
4 mol 92 unq 2 iso 0 dist 8.3558 5.38868 4.98104 15.1474 7.4729 10.7572 11.6676 4.46885 8.67475 8.3773 numMergedOcc 0
5 mol 92 unq 3 iso 0 dist 8.3558 5.38868 4.98104 8.66262 6.82344 5.50764 11.6676 4.46885 8.67475 11.1432 numMergedOcc 0
6 mol 152 unq 0 iso 0 dist 8.34839 5.80854 9.10619 5.65129 8.56324 9.66339 9.83462 4.84714 8.78112 8.9192 numMergedOcc 0
7 mol 152 unq 1 iso 0 dist 8.34839 5.80854 9.10619 10.5295 6.70283 13.9994 9.83462 4.84714 8.78112 9.27706 numMergedOcc 0
8 mol 152 unq 2 iso 0 dist 8.34839 5.80854 9.10619 10.7929 7.16148 14.2552 9.83462 4.84714 8.78112 11.6735 numMergedOcc 0
9 mol 178 unq 0 iso 0 dist 8.04723 6.1397 8.0974 14.4072 6.69288 12.2822 10.879 9.4452 7.97 12.0355 numMergedOcc 0
10 mol 178 unq 1 iso 0 dist 8.04723 6.1397 8.0974 14.4072 6.69288 12.2822 10.9114 6.42973 6.95432 7.06025 numMergedOcc 0
11 mol 178 unq 2 iso 0 dist 8.04723 6.1397 8.0974 14.4072 6.69288 12.2822 8.81097 10.8373 9.32853 15.7548 numMergedOcc 0
12 mol 178 unq 3 iso 0 dist 8.04723 6.1397 8.0974 13.0519 6.43573 12.4338 10.879 9.4452 7.97 14.9034 numMergedOcc 0
13 mol 178 unq 4 iso 0 dist 8.04723 6.1397 8.0974 13.0519 6.43573 12.4338 10.9114 6.42973 6.95432 10.0638 numMergedOcc 0
14 mol 178 unq 5 iso 0 dist 8.04723 6.1397 8.0974 13.0519 6.43573 12.4338 8.81097 10.8373 9.32853 17.2277 numMergedOcc 0
15 mol 178 unq 6 iso 0 dist 8.04723 6.1397 8.0974 10.5681 7.17202 13.9722 10.879 9.4452 7.97 14.659 numMergedOcc 0
16 mol 178 unq 7 iso 0 dist 8.04723 6.1397 8.0974 10.5681 7.17202 13.9722 10.9114 6.42973 6.95432 13.2692 numMergedOcc 0
17 mol 178 unq 8 iso 0 dist 8.04723 6.1397 8.0974 10.5681 7.17202 13.9722 8.81097 10.8373 9.32853 13.544 numMergedOcc 0
18 mol 178 unq 9 iso 0 dist 8.04723 6.1397 8.0974 9.1499 8.81551 13.5599 10.879 9.4452 7.97 16.8397 numMergedOcc 0
19 mol 178 unq 10 iso 0 dist 8.04723 6.1397 8.0974 9.1499 8.81551 13.5599 10.9114 6.42973 6.95432 15.0672 numMergedOcc 0
20 mol 178 unq 11 iso 0 dist 8.04723 6.1397 8.0974 9.1499 8.81551 13.5599 8.81097 10.8373 9.32853 15.2622 numMergedOcc 0
21 mol 197 unq 0 iso 0 dist 7.70631 16.2482 8.64255 12.7195 8.56633 11.8861 15.3143 9.80333 8.18029 16.8142 numMergedOcc 0
22 mol 210 unq 0 iso 0 dist 8.58471 15.9233 9.67457 10.3518 6.18308 5.82028 19.327 13.1851 9.11574 10.8156 numMergedOcc 0
23 mol 220 unq 0 iso 0 dist 8.14644 14.5536 7.31105 12.2116 9.23153 14.6296 16.9791 9.9903 7.27248 16.568 numMergedOcc 0
24 mol 220 unq 1 iso 0 dist 8.14644 14.5536 7.31105 12.2916 8.24498 9.52692 16.9791 9.9903 7.27248 15.7019 numMergedOcc 0
25 mol 229 unq 0 iso 0 dist 6.32302 5.47886 9.84492 6.52416 8.22528 11.9226 6.92268 4.17276 8.70717 10.3243 numMergedOcc 0
26 mol 229 unq 1 iso 0 dist 8.53615 14.8014 9.84492 6.81165 8.22528 11.9226 12.4675 4.17276 8.70717 10.3243 numMergedOcc 0
27 mol 239 unq 0 iso 0 dist 8.82778 12.7518 6.37342 11.4665 6.16342 5.29737 11.7834 10.6736 7.69491 6.73665 numMergedOcc 0
28 mol 248 unq 0 iso 0 dist 7.40475 11.0674 8.71859 7.63032 7.69895 4.53213 11.6204 4.58289 7.90773 9.05018 numMergedOcc 0
29 mol 248 unq 1 iso 0 dist 7.40475 11.0674 8.71859 6.42334 7.21521 6.33032 11.6204 4.58289 7.90773 9.33962 numMergedOcc 0
30 mol 248 unq 2 iso 0 dist 7.40475 11.0674 8.71859 6.86606 8.2965 11.762 11.6204 4.58289 7.90773 11.4547 numMergedOcc 0
31 mol 277 unq 0 iso 0 dist 7.23956 7.09461 6.90434 15.6875 9.7748 13.2927 9.22453 3.97543 8.18813 12.1398 numMergedOcc 0
