0 mol 2 unq 0 iso 0 dist 9.76215 9.9335 17.3641 6.38677 10.3528 7.37296 7.99162 12.506 11.2776 9.58976 numMergedOcc 0
1 mol 2 unq 1 iso 0 dist 9.76215 9.9335 17.3641 6.38677 10.3528 7.37296 15.1169 16.3488 11.0228 9.57645 numMergedOcc 0
2 mol 4 unq 0 iso 0 dist 7.53929 6.22303 6.82441 6.80703 14.0377 9.84876 8.66947 10.8758 6.8787 9.71908 numMergedOcc 0
3 mol 61 unq 0 iso 0 dist 6.01552 7.96502 8.24748 5.25196 9.67403 8.30431 5.50504 4.90701 6.32949 9.62468 numMergedOcc 0
4 mol 61 unq 1 iso 0 dist 6.01552 7.96502 8.24748 6.97911 9.7314 4.628 5.50504 4.90701 6.32949 5.92705 numMergedOcc 0
5 mol 73 unq 0 iso 0 dist 9.75708 9.23755 6.17006 12.5791 13.5397 8.4438 20.6518 19.2459 15.6609 9.28253 numMergedOcc 0
6 mol 92 unq 0 iso 0 dist 8.03407 8.98532 8.6267 5.38868 6.78043 8.67865 8.3558 7.17015 5.1767 4.98104 numMergedOcc 0
7 mol 92 unq 1 iso 0 dist 6.39759 8.98532 4.68995 5.38868 5.74364 8.67865 8.3558 4.52119 5.1767 4.98104 numMergedOcc 0
8 mol 220 unq 0 iso 0 dist 6.62404 5.60195 4.68697 8.66923 10.0343 7.86207 11.8036 8.0303 10.6943 9.8711 numMergedOcc 0
9 mol 220 unq 1 iso 0 dist 9.37847 7.87359 4.68697 5.3178 10.0343 7.86207 11.1368 8.0303 10.6943 9.8711 numMergedOcc 0
10 mol 226 unq 0 iso 0 dist 9.31677 6.3687 9.96567 12.3798 12.1792 7.20862 16.2939 14.25 10.5706 9.5723 numMergedOcc 0
11 mol 227 unq 0 iso 0 dist 5.36841 8.32703 7.27568 5.55239 6.14732 5.2851 10.4039 10.9746 5.14019 9.18675 numMergedOcc 0
12 mol 241 unq 0 iso 0 dist 5.66945 7.16232 4.84498 10.121 12.3126 9.174 6.90245 6.72492 7.93809 9.72526 numMergedOcc 0
13 mol 278 unq 0 iso 0 dist 8.79625 6.03414 8.84423 5.49004 6.83278 8.87405 9.91518 13.5373 8.66976 9.82774 numMergedOcc 0
14 mol 278 unq 1 iso 0 dist 9.9609 6.03414 9.58279 5.49004 14.6962 8.87405 9.91518 11.4765 8.66976 9.82774 numMergedOcc 0
