0 mol 9 unq 0 iso 0 dist 8.77074 17.4675 9.27637 11.1857 8.55446 15.0681 12.9363 6.00657 6.11048 14.2464 numMergedOcc 0
1 mol 9 unq 1 iso 0 dist 8.77074 17.4675 9.27637 9.93406 6.59455 11.8296 12.9363 6.00657 6.11048 11.0886 numMergedOcc 0
2 mol 9 unq 2 iso 0 dist 8.77074 17.4675 9.27637 13.0985 5.71201 5.67536 12.9363 6.00657 6.11048 6.59312 numMergedOcc 0
3 mol 24 unq 0 iso 0 dist 8.70141 13.2653 4.93188 12.1061 4.90592 5.11617 8.6586 4.21283 8.23075 7.85986 numMergedOcc 0
4 mol 24 unq 1 iso 0 dist 8.70141 13.2653 4.93188 12.1061 4.90592 5.11617 13.2236 4.97191 4.7841 4.30252 numMergedOcc 0
5 mol 24 unq 2 iso 0 dist 8.70141 13.2653 4.93188 6.81998 8.16324 10.8238 8.6586 4.21283 8.23075 11.0098 numMergedOcc 0
6 mol 24 unq 3 iso 0 dist 8.70141 13.2653 4.93188 6.81998 8.16324 10.8238 13.2236 4.97191 4.7841 12.496 numMergedOcc 0
7 mol 26 unq 0 iso 0 dist 9.46609 13.1626 8.44506 4.29919 9.5053 10.9837 13.1741 12.4814 7.98005 9.11311 numMergedOcc 0
8 mol 26 unq 1 iso 0 dist 9.46609 13.1626 8.44506 4.29919 9.5053 10.9837 18.9875 15.4838 8.31381 15.3903 numMergedOcc 0
9 mol 28 unq 0 iso 0 dist 9.00593 9.68942 7.28416 13.0892 7.40415 8.4285 14.7191 6.37119 8.95154 5.19518 numMergedOcc 0
10 mol 120 unq 0 iso 0 dist 9.27951 5.89379 8.93905 6.71699 6.03352 8.2619 9.16089 9.23272 6.42623 11.9801 numMergedOcc 0
11 mol 120 unq 1 iso 0 dist 9.27951 5.89379 8.93905 6.71699 6.03352 8.2619 14.6365 14.3708 8.95899 16.1367 numMergedOcc 0
12 mol 147 unq 0 iso 0 dist 6.4752 8.95179 5.49226 10.7246 7.25644 11.1681 12.3949 7.88487 8.39897 13.9156 numMergedOcc 0
13 mol 162 unq 0 iso 0 dist 8.48559 6.46702 6.20182 7.15755 7.14263 4.20425 9.067 5.21512 7.93088 5.67088 numMergedOcc 0
14 mol 162 unq 1 iso 0 dist 8.48559 6.46702 6.20182 7.74683 8.57005 6.07158 9.067 5.21512 7.93088 12.4379 numMergedOcc 0
15 mol 175 unq 0 iso 0 dist 9.12296 4.27736 7.35824 11.6344 5.89564 11.8693 11.389 14.7729 9.19156 19.542 numMergedOcc 0
16 mol 175 unq 1 iso 0 dist 9.12296 4.27736 7.35824 5.96987 5.60528 6.77832 11.389 14.7729 9.19156 15.721 numMergedOcc 0
17 mol 194 unq 0 iso 0 dist 7.47107 10.2633 6.26839 10.7677 5.68348 11.6598 15.1012 7.82899 9.52922 8.13022 numMergedOcc 0
18 mol 218 unq 0 iso 0 dist 9.6309 10.8948 6.29511 10.2441 9.32945 7.84019 14.9841 5.46009 7.84952 12.403 numMergedOcc 0
19 mol 274 unq 0 iso 0 dist 7.65671 5.9882 9.56685 4.36131 8.2997 5.29529 11.8576 8.10746 9.83622 9.2199 numMergedOcc 0
