0 mol 16 unq 0 iso 0 dist 8.62634 6.68517 6.05535 10.1407 14.0448 8.47315 5.1333 5.36911 6.72833 12.1062 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 7.19567 8.90024 14.2671 18.5048 23.8644 9.74445 13.2914 19.9657 8.95682 10.7304 numMergedOcc 0
2 mol 43 unq 1 iso 0 dist 9.34433 8.90024 12.0037 18.5048 19.9271 9.74445 13.2914 17.6519 8.95682 10.7304 numMergedOcc 0
3 mol 69 unq 0 iso 0 dist 8.32033 6.92837 13.1847 5.74577 12.7518 9.57969 6.56303 12.5937 9.97775 8.91076 numMergedOcc 0
4 mol 92 unq 0 iso 0 dist 8.98532 8.3558 5.1767 5.38868 8.67865 4.98104 10.2731 6.15654 6.95572 9.52463 numMergedOcc 0
5 mol 92 unq 1 iso 0 dist 8.98532 8.3558 5.1767 5.38868 8.67865 4.98104 4.66752 7.89887 7.38677 6.07224 numMergedOcc 0
6 mol 114 unq 0 iso 0 dist 6.15949 6.71345 5.24877 5.67441 5.31281 8.42445 8.84017 11.4347 6.84011 12.5697 numMergedOcc 0
7 mol 115 unq 0 iso 0 dist 9.18707 9.50575 11.7723 9.78923 15.2064 6.7225 13.4067 18.3715 6.92026 6.39438 numMergedOcc 0
8 mol 115 unq 1 iso 0 dist 5.91786 9.50575 7.10772 9.78923 11.1256 6.7225 13.4067 13.3321 6.92026 6.39438 numMergedOcc 0
9 mol 134 unq 0 iso 0 dist 6.7402 4.68975 8.08748 8.95641 14.9147 7.78849 6.64576 12.7936 5.83771 4.15314 numMergedOcc 0
10 mol 236 unq 0 iso 0 dist 8.80671 7.49412 6.81625 11.7007 10.7247 9.31246 6.4298 7.13854 7.1686 5.87054 numMergedOcc 0
11 mol 236 unq 1 iso 0 dist 9.81411 7.49412 8.27017 11.7007 17.1971 9.31246 6.4298 13.2895 7.1686 5.87054 numMergedOcc 0
12 mol 241 unq 0 iso 0 dist 7.16232 6.90245 7.93809 10.121 9.174 9.72526 5.69979 10.2312 7.89524 7.18308 numMergedOcc 0
13 mol 278 unq 0 iso 0 dist 7.74708 9.91518 4.69872 5.49004 10.1334 9.82774 11.8916 10.1379 8.00673 11.9007 numMergedOcc 0
14 mol 278 unq 1 iso 0 dist 6.03414 9.91518 8.66976 5.49004 8.87405 9.82774 11.8916 14.1922 8.00673 11.9007 numMergedOcc 0
15 mol 278 unq 2 iso 0 dist 9.82026 9.91518 17.1306 5.49004 13.0087 9.82774 11.8916 21.328 8.00673 11.9007 numMergedOcc 0
