0 mol 16 unq 0 iso 0 dist 8.62634 6.68517 6.05535 5.1333 5.36911 6.72833 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 7.19567 8.90024 14.2671 13.2914 19.9657 8.95682 numMergedOcc 0
2 mol 43 unq 1 iso 0 dist 9.34433 8.90024 12.0037 13.2914 17.6519 8.95682 numMergedOcc 0
3 mol 62 unq 0 iso 0 dist 6.09042 8.27156 10.894 5.40878 10.3526 4.74544 numMergedOcc 0
4 mol 64 unq 0 iso 0 dist 8.71324 9.56181 9.73304 5.40109 12.219 9.97159 numMergedOcc 0
5 mol 64 unq 1 iso 0 dist 9.5663 9.56181 5.59762 5.40109 9.23947 9.97159 numMergedOcc 0
6 mol 69 unq 0 iso 0 dist 8.32033 6.92837 13.1847 6.56303 12.5937 9.97775 numMergedOcc 0
7 mol 92 unq 0 iso 0 dist 8.98532 8.3558 5.1767 10.2731 6.15654 6.95572 numMergedOcc 0
8 mol 92 unq 1 iso 0 dist 8.98532 8.3558 5.1767 4.66752 7.89887 7.38677 numMergedOcc 0
9 mol 114 unq 0 iso 0 dist 6.15949 6.71345 5.24877 8.84017 11.4347 6.84011 numMergedOcc 0
10 mol 115 unq 0 iso 0 dist 9.18707 9.50575 11.7723 13.4067 18.3715 6.92026 numMergedOcc 0
11 mol 115 unq 1 iso 0 dist 5.91786 9.50575 7.10772 13.4067 13.3321 6.92026 numMergedOcc 0
12 mol 134 unq 0 iso 0 dist 6.7402 4.68975 8.08748 6.64576 12.7936 5.83771 numMergedOcc 0
13 mol 134 unq 1 iso 0 dist 6.7402 4.9155 7.46245 6.64576 12.7936 7.80532 numMergedOcc 0
14 mol 209 unq 0 iso 0 dist 9.20752 5.92907 9.95971 9.57857 14.3008 6.85935 numMergedOcc 0
15 mol 232 unq 0 iso 0 dist 9.10154 7.57253 5.45696 5.70548 10.6999 9.05071 numMergedOcc 0
16 mol 236 unq 0 iso 0 dist 8.80671 7.49412 6.81625 6.4298 7.13854 7.1686 numMergedOcc 0
17 mol 236 unq 1 iso 0 dist 9.81411 7.49412 8.27017 6.4298 13.2895 7.1686 numMergedOcc 0
18 mol 241 unq 0 iso 0 dist 7.16232 6.90245 7.93809 5.69979 10.2312 7.89524 numMergedOcc 0
19 mol 243 unq 0 iso 0 dist 7.72368 7.80612 6.64693 9.85403 12.7062 8.76935 numMergedOcc 0
20 mol 243 unq 1 iso 0 dist 7.72368 7.80612 6.64693 7.14241 12.4012 8.47652 numMergedOcc 0
21 mol 278 unq 0 iso 0 dist 7.74708 9.91518 4.69872 11.8916 10.1379 8.00673 numMergedOcc 0
22 mol 278 unq 1 iso 0 dist 6.03414 9.91518 8.66976 11.8916 14.1922 8.00673 numMergedOcc 0
23 mol 278 unq 2 iso 0 dist 9.82026 9.91518 17.1306 11.8916 21.328 8.00673 numMergedOcc 0
