0 mol 51 unq 0 iso 0 dist 8.55004 7.12423 13.4355 7.24502 8.84151 13.4686 13.6102 18.5377 9.0709 16.6622 numMergedOcc 0
1 mol 71 unq 0 iso 0 dist 8.39608 7.35142 5.87956 3.91691 8.92529 10.2053 4.93292 8.21553 7.38797 6.10737 numMergedOcc 0
2 mol 71 unq 1 iso 0 dist 7.28815 9.50139 5.87956 10.1018 8.92529 10.2053 6.53623 8.21553 7.38797 6.10737 numMergedOcc 0
3 mol 75 unq 0 iso 0 dist 5.01633 6.95595 5.56574 4.18109 8.25597 9.20448 12.7957 13.0751 7.79912 14.2474 numMergedOcc 0
4 mol 75 unq 1 iso 0 dist 5.01633 6.95595 5.56574 4.18109 8.25597 9.20448 10.309 12.1692 8.56639 12.103 numMergedOcc 0
5 mol 75 unq 2 iso 0 dist 5.01633 6.95595 5.56574 4.18109 8.25597 9.20448 5.80162 10.0315 8.59017 5.76778 numMergedOcc 0
6 mol 75 unq 3 iso 0 dist 5.01633 6.95595 5.56574 4.01868 4.76466 6.96759 12.7957 13.0751 7.79912 13.8905 numMergedOcc 0
7 mol 75 unq 4 iso 0 dist 5.01633 6.95595 5.56574 4.01868 4.76466 6.96759 10.309 12.1692 8.56639 12.899 numMergedOcc 0
8 mol 75 unq 5 iso 0 dist 5.01633 6.95595 5.56574 4.01868 4.76466 6.96759 5.80162 10.0315 8.59017 8.41332 numMergedOcc 0
9 mol 75 unq 6 iso 0 dist 5.01633 6.95595 5.56574 6.54389 8.67172 6.97318 12.7957 13.0751 7.79912 11.2774 numMergedOcc 0
10 mol 75 unq 7 iso 0 dist 5.01633 6.95595 5.56574 6.54389 8.67172 6.97318 10.309 12.1692 8.56639 11.0206 numMergedOcc 0
11 mol 75 unq 8 iso 0 dist 5.01633 6.95595 5.56574 6.54389 8.67172 6.97318 5.80162 10.0315 8.59017 6.56982 numMergedOcc 0
12 mol 101 unq 0 iso 0 dist 7.22737 5.22543 4.51951 6.01775 7.1859 8.65215 4.50603 10.0014 6.57035 9.17843 numMergedOcc 0
13 mol 129 unq 0 iso 0 dist 7.13958 9.28278 4.80675 4.74644 7.6453 8.00624 14.5776 10.1938 8.54584 15.4586 numMergedOcc 0
14 mol 132 unq 0 iso 0 dist 7.16287 8.7366 10.0823 4.21327 6.94745 11.9102 4.90475 6.495 7.7059 5.28089 numMergedOcc 0
15 mol 229 unq 0 iso 0 dist 5.75755 8.6537 12.696 3.99138 7.39596 12.0016 8.65216 14.4018 8.22528 9.17 numMergedOcc 0
16 mol 229 unq 1 iso 0 dist 5.75755 8.6537 12.696 3.99138 7.39596 12.0016 10.7439 15.825 7.03423 12.5736 numMergedOcc 0
17 mol 229 unq 2 iso 0 dist 5.75755 5.57702 6.44004 3.99138 7.39596 9.49008 6.21233 9.87839 9.87838 5.78907 numMergedOcc 0
18 mol 236 unq 0 iso 0 dist 8.20542 5.66569 10.2557 4.60599 8.63249 5.90804 11.2013 9.97357 9.99038 13.6195 numMergedOcc 0
19 mol 236 unq 1 iso 0 dist 8.20542 5.66569 10.2557 4.60599 8.63249 5.90804 4.15973 6.36941 6.27581 7.45579 numMergedOcc 0
20 mol 236 unq 2 iso 0 dist 5.6568 6.11137 6.49831 4.24722 7.74348 5.90804 15.1664 16.3801 9.99038 13.6195 numMergedOcc 0
21 mol 236 unq 3 iso 0 dist 5.6568 6.11137 6.49831 4.24722 7.74348 5.90804 9.01197 12.2331 6.27581 7.45579 numMergedOcc 0
22 mol 258 unq 0 iso 0 dist 9.52903 5.73834 9.78068 5.66907 8.10903 9.04358 6.48867 14.0712 6.60405 8.81588 numMergedOcc 0
23 mol 258 unq 1 iso 0 dist 9.52903 5.73834 9.78068 5.66907 8.10903 9.04358 7.52881 8.81059 6.42289 5.90131 numMergedOcc 0
24 mol 258 unq 2 iso 0 dist 9.52903 5.73834 9.78068 9.6053 7.25618 10.0455 6.48867 14.0712 6.60405 11.1234 numMergedOcc 0
25 mol 258 unq 3 iso 0 dist 9.52903 5.73834 9.78068 9.6053 7.25618 10.0455 7.52881 8.81059 6.42289 4.51422 numMergedOcc 0
26 mol 259 unq 0 iso 0 dist 8.06908 9.54857 6.18571 5.99165 8.54422 13.119 15.3806 13.6279 7.46176 20.0871 numMergedOcc 0
27 mol 259 unq 1 iso 0 dist 8.06908 9.54857 6.18571 4.78344 7.67473 10.895 15.3806 13.6279 7.46176 17.4198 numMergedOcc 0
28 mol 277 unq 0 iso 0 dist 6.70414 9.29635 5.77904 12.5633 8.15119 4.81916 10.8075 8.35794 9.7748 7.94155 numMergedOcc 0
