0 mol 26 unq 0 iso 0 dist 8.44506 7.98005 12.4814 10.9837 9.5053 9.11311 13.2086 14.3325 7.97596 5.497 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 8.44506 8.31381 15.4838 10.9837 9.5053 15.3903 13.2086 14.3325 14.7177 5.497 numMergedOcc 0
2 mol 58 unq 0 iso 0 dist 7.27383 6.79356 6.21346 5.85698 6.62229 6.41008 10.5905 5.36808 10.5052 7.6481 numMergedOcc 0
3 mol 58 unq 1 iso 0 dist 7.27383 6.79356 6.21346 5.85698 6.62229 6.41008 6.46761 9.17656 4.43437 9.11258 numMergedOcc 0
4 mol 85 unq 0 iso 0 dist 8.00777 9.01812 4.06365 11.165 8.70863 10.3185 14.6253 13.7907 14.0177 6.05495 numMergedOcc 0
5 mol 98 unq 0 iso 0 dist 7.26086 7.92856 8.67903 7.06961 8.43352 13.6994 10.417 13.6622 16.7408 6.0129 numMergedOcc 0
6 mol 114 unq 0 iso 0 dist 6.34525 9.93438 13.7162 12.7083 9.35942 19.774 10.6048 8.36453 12.4143 9.83981 numMergedOcc 0
7 mol 114 unq 1 iso 0 dist 6.34525 9.93438 13.7162 12.7083 9.35942 19.774 11.237 6.22315 16.5882 6.13559 numMergedOcc 0
8 mol 114 unq 2 iso 0 dist 6.34525 9.93438 13.7162 12.7083 9.35942 19.774 10.3172 6.18257 19.2209 6.51395 numMergedOcc 0
9 mol 119 unq 0 iso 0 dist 7.99623 7.60162 8.90156 7.45148 9.9151 6.21165 10.5042 9.0892 3.71283 7.26955 numMergedOcc 0
10 mol 141 unq 0 iso 0 dist 6.69515 7.46621 10.7652 7.42649 6.94988 10.4812 6.93652 8.00633 5.72856 5.26989 numMergedOcc 0
11 mol 175 unq 0 iso 0 dist 7.35824 9.19156 14.7729 11.8693 5.89564 19.542 11.8821 5.95187 20.312 5.4997 numMergedOcc 0
12 mol 175 unq 1 iso 0 dist 7.35824 9.19156 14.7729 6.77832 5.60528 15.721 9.52634 6.05776 16.559 8.99988 numMergedOcc 0
13 mol 175 unq 2 iso 0 dist 7.35824 9.19156 14.7729 6.77832 5.60528 15.721 11.8821 5.95187 20.312 6.99693 numMergedOcc 0
14 mol 175 unq 3 iso 0 dist 9.17364 9.19156 18.0583 6.77832 5.5995 15.721 9.52634 5.85047 16.559 8.99988 numMergedOcc 0
15 mol 175 unq 4 iso 0 dist 9.17364 9.19156 18.0583 6.77832 5.5995 15.721 11.8821 5.46129 20.312 6.99693 numMergedOcc 0
16 mol 194 unq 0 iso 0 dist 6.26839 9.52922 7.82899 11.6598 5.68348 8.13022 12.1599 7.69247 14.7839 8.52969 numMergedOcc 0
17 mol 232 unq 0 iso 0 dist 7.83711 8.25985 6.20756 4.9377 6.57921 9.78273 11.4727 7.0877 12.899 7.17337 numMergedOcc 0
18 mol 232 unq 1 iso 0 dist 7.83711 9.27788 11.7554 4.9377 6.57921 11.9664 11.4727 7.0877 17.2552 7.17337 numMergedOcc 0
