0 mol 24 unq 0 iso 0 dist 8.3964 10.6642 4.90592 12.6611 5.11617 4.93188 10.0962 7.85986 4.21283 8.23075 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 8.3964 10.6642 4.90592 12.6611 5.11617 4.93188 8.56474 4.30252 4.97191 4.7841 numMergedOcc 0
2 mol 26 unq 0 iso 0 dist 8.98417 12.1122 9.5053 16.0085 10.9837 8.44506 12.6093 9.11311 12.4814 7.98005 numMergedOcc 0
3 mol 26 unq 1 iso 0 dist 8.98417 12.1122 9.5053 16.0085 10.9837 8.44506 18.4402 15.3903 15.4838 8.31381 numMergedOcc 0
4 mol 85 unq 0 iso 0 dist 9.18097 11.155 8.70863 17.8488 11.165 8.00777 12.641 10.3185 4.06365 9.01812 numMergedOcc 0
5 mol 85 unq 1 iso 0 dist 8.83135 15.3247 8.70863 14.3036 11.165 8.00777 14.9826 10.3185 4.06365 9.01812 numMergedOcc 0
6 mol 114 unq 0 iso 0 dist 4.86767 8.16908 9.35942 13.4572 12.7083 6.34525 20.8531 19.774 13.7162 9.93438 numMergedOcc 0
7 mol 120 unq 0 iso 0 dist 8.64019 6.87987 6.03352 10.3269 8.2619 8.93905 12.4978 11.9801 9.23272 6.42623 numMergedOcc 0
8 mol 120 unq 1 iso 0 dist 8.64019 6.87987 6.03352 10.3269 8.2619 8.93905 13.0933 16.1367 14.3708 8.95899 numMergedOcc 0
9 mol 147 unq 0 iso 0 dist 8.40219 14.4753 7.25644 18.9488 11.1681 5.49226 19.069 13.9156 7.88487 8.39897 numMergedOcc 0
10 mol 162 unq 0 iso 0 dist 9.31025 7.6506 7.14263 9.89142 4.20425 6.20182 7.86779 5.67088 5.21512 7.93088 numMergedOcc 0
11 mol 162 unq 1 iso 0 dist 9.0087 8.07237 7.14263 10.8794 4.20425 6.20182 5.29862 5.67088 5.21512 7.93088 numMergedOcc 0
12 mol 162 unq 2 iso 0 dist 8.11292 13.9849 8.57005 13.9777 6.07158 6.20182 18.6975 12.4379 5.21512 7.93088 numMergedOcc 0
13 mol 162 unq 3 iso 0 dist 8.54006 7.2417 8.57005 10.282 6.07158 6.20182 12.3596 12.4379 5.21512 7.93088 numMergedOcc 0
14 mol 175 unq 0 iso 0 dist 8.79832 10.1424 5.89564 17.2323 11.8693 7.35824 22.6964 19.542 14.7729 9.19156 numMergedOcc 0
15 mol 205 unq 0 iso 0 dist 6.23057 11.501 9.17946 17.0692 14.4523 5.60393 22.8263 21.128 12.0319 7.13783 numMergedOcc 0
16 mol 232 unq 0 iso 0 dist 8.27761 5.68442 6.57921 10.8093 4.9377 7.83711 11.775 9.78273 6.20756 8.25985 numMergedOcc 0
17 mol 232 unq 1 iso 0 dist 8.27761 5.68442 6.57921 10.8093 4.9377 7.83711 17.1317 11.9664 11.7554 9.27788 numMergedOcc 0
