0 mol 7 unq 0 iso 0 dist 5.51421 6.769 6.8464 10.6104 8.41585 5.0893 11.3302 7.15287 7.38748 6.22892 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 8.38387 4.99287 8.03754 11.0096 8.80331 14.0204 13.404 14.9082 8.84944 22.5146 numMergedOcc 0
2 mol 43 unq 1 iso 0 dist 8.38387 4.99287 8.03754 11.0096 8.80331 14.0204 10.0846 4.80528 7.21995 12.8866 numMergedOcc 0
3 mol 43 unq 2 iso 0 dist 8.38387 4.99287 8.03754 11.8286 6.20293 13.1056 13.404 14.9082 8.84944 19.6842 numMergedOcc 0
4 mol 43 unq 3 iso 0 dist 8.38387 4.99287 8.03754 11.8286 6.20293 13.1056 10.0846 4.80528 7.21995 10.6604 numMergedOcc 0
5 mol 64 unq 0 iso 0 dist 8.99491 4.69203 8.75668 4.96726 9.67592 7.26966 12.7747 15.4665 8.52643 15.3102 numMergedOcc 0
6 mol 64 unq 1 iso 0 dist 8.99491 4.69203 8.75668 4.96726 9.67592 7.26966 9.67624 9.95527 5.41357 12.3873 numMergedOcc 0
7 mol 75 unq 0 iso 0 dist 6.95595 4.18109 9.20448 12.7957 7.79912 14.2474 5.01633 5.56574 8.25597 13.0751 numMergedOcc 0
8 mol 75 unq 1 iso 0 dist 6.95595 4.18109 9.20448 10.309 8.56639 12.103 5.01633 5.56574 8.25597 12.1692 numMergedOcc 0
9 mol 75 unq 2 iso 0 dist 6.95595 4.18109 9.20448 5.80162 8.59017 5.76778 5.01633 5.56574 8.25597 10.0315 numMergedOcc 0
10 mol 75 unq 3 iso 0 dist 6.95595 4.01868 6.96759 12.7957 7.79912 13.8905 5.01633 5.56574 4.76466 13.0751 numMergedOcc 0
11 mol 75 unq 4 iso 0 dist 6.95595 4.01868 6.96759 10.309 8.56639 12.899 5.01633 5.56574 4.76466 12.1692 numMergedOcc 0
12 mol 75 unq 5 iso 0 dist 6.95595 4.01868 6.96759 5.80162 8.59017 8.41332 5.01633 5.56574 4.76466 10.0315 numMergedOcc 0
13 mol 75 unq 6 iso 0 dist 6.95595 6.54389 6.97318 12.7957 7.79912 11.2774 5.01633 5.56574 8.67172 13.0751 numMergedOcc 0
14 mol 75 unq 7 iso 0 dist 6.95595 6.54389 6.97318 10.309 8.56639 11.0206 5.01633 5.56574 8.67172 12.1692 numMergedOcc 0
15 mol 75 unq 8 iso 0 dist 6.95595 6.54389 6.97318 5.80162 8.59017 6.56982 5.01633 5.56574 8.67172 10.0315 numMergedOcc 0
16 mol 101 unq 0 iso 0 dist 5.22543 6.01775 8.65215 4.50603 6.57035 9.17843 7.22737 4.51951 7.1859 10.0014 numMergedOcc 0
17 mol 129 unq 0 iso 0 dist 9.28278 4.74644 8.00624 14.5776 8.54584 15.4586 7.13958 4.80675 7.6453 10.1938 numMergedOcc 0
18 mol 133 unq 0 iso 0 dist 5.86531 4.98521 9.47554 6.26797 7.11802 5.34829 13.5394 17.2988 8.8353 10.614 numMergedOcc 0
19 mol 133 unq 1 iso 0 dist 5.86531 4.98521 9.47554 9.73435 8.00618 9.67676 13.5394 17.2988 8.8353 15.7117 numMergedOcc 0
20 mol 152 unq 0 iso 0 dist 8.07256 4.81561 8.41774 10.4039 8.56324 13.1435 13.241 14.069 9.65031 21.5408 numMergedOcc 0
21 mol 152 unq 1 iso 0 dist 8.07256 4.81561 8.41774 10.4039 8.56324 13.1435 10.363 4.46956 8.51844 12.7437 numMergedOcc 0
22 mol 152 unq 2 iso 0 dist 8.07256 4.81561 8.41774 11.1874 6.70283 13.793 13.241 14.069 9.65031 19.3797 numMergedOcc 0
23 mol 152 unq 3 iso 0 dist 8.07256 4.81561 8.41774 11.1874 6.70283 13.793 10.363 4.46956 8.51844 10.5594 numMergedOcc 0
24 mol 152 unq 4 iso 0 dist 8.07256 4.81561 8.41774 8.36099 7.16148 11.2124 13.241 14.069 9.65031 15.7694 numMergedOcc 0
25 mol 152 unq 5 iso 0 dist 8.07256 4.81561 8.41774 8.36099 7.16148 11.2124 10.363 4.46956 8.51844 10.166 numMergedOcc 0
26 mol 224 unq 0 iso 0 dist 8.46129 6.32111 8.80858 6.31508 6.65832 4.46743 12.9254 16.607 8.8113 10.2166 numMergedOcc 0
27 mol 224 unq 1 iso 0 dist 8.46129 6.32111 8.80858 5.72088 6.60589 4.93626 12.9254 16.607 8.8113 13.6975 numMergedOcc 0
28 mol 224 unq 2 iso 0 dist 8.46129 6.32111 8.80858 6.51315 9.16166 11.8641 12.9254 16.607 8.8113 19.4037 numMergedOcc 0
29 mol 236 unq 0 iso 0 dist 5.66569 4.60599 5.90804 11.2013 9.99038 13.6195 8.20542 10.2557 8.63249 9.97357 numMergedOcc 0
30 mol 236 unq 1 iso 0 dist 5.66569 4.60599 5.90804 11.2013 9.99038 13.6195 9.73914 6.49831 7.74348 16.3801 numMergedOcc 0
31 mol 236 unq 2 iso 0 dist 5.66569 4.60599 5.90804 4.15973 6.27581 7.45579 8.20542 10.2557 8.63249 6.36941 numMergedOcc 0
32 mol 236 unq 3 iso 0 dist 5.66569 4.60599 5.90804 4.15973 6.27581 7.45579 9.73914 6.49831 7.74348 12.2331 numMergedOcc 0
33 mol 236 unq 4 iso 0 dist 6.11137 4.24722 5.90804 15.1664 9.99038 13.6195 12.2537 10.2557 8.63249 9.97357 numMergedOcc 0
34 mol 236 unq 5 iso 0 dist 6.11137 4.24722 5.90804 15.1664 9.99038 13.6195 5.6568 6.49831 7.74348 16.3801 numMergedOcc 0
35 mol 236 unq 6 iso 0 dist 6.11137 4.24722 5.90804 9.01197 6.27581 7.45579 12.2537 10.2557 8.63249 6.36941 numMergedOcc 0
36 mol 236 unq 7 iso 0 dist 6.11137 4.24722 5.90804 9.01197 6.27581 7.45579 5.6568 6.49831 7.74348 12.2331 numMergedOcc 0
37 mol 258 unq 0 iso 0 dist 5.73834 5.66907 9.04358 6.48867 6.60405 8.81588 9.52903 9.78068 8.10903 14.0712 numMergedOcc 0
38 mol 258 unq 1 iso 0 dist 5.73834 5.66907 9.04358 7.52881 6.42289 5.90131 9.52903 9.78068 8.10903 8.81059 numMergedOcc 0
39 mol 277 unq 0 iso 0 dist 9.29635 12.5633 4.81916 10.8075 9.7748 7.94155 16.5458 7.44724 6.66936 14.2462 numMergedOcc 0
40 mol 277 unq 1 iso 0 dist 9.29635 12.5633 4.81916 10.8075 9.7748 7.94155 6.70414 5.77904 8.15119 8.35794 numMergedOcc 0
