0 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
1 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
2 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
3 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
4 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
5 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
6 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
7 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
8 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
9 mol 85 unq 0 iso 0 dist 7.61312 6.58793 3.85308 11.4201 12.4413 9.67557 10.1919 11.7729 7.95579 6.53819 numMergedOcc 0
10 mol 85 unq 1 iso 0 dist 7.61312 6.58793 3.85308 11.4201 12.4413 9.67557 9.21014 9.8682 6.19965 9.9705 numMergedOcc 0
11 mol 85 unq 2 iso 0 dist 7.61312 6.58793 3.85308 11.4201 12.4413 9.67557 7.83419 9.22376 7.66905 15.3279 numMergedOcc 0
12 mol 95 unq 0 iso 0 dist 9.02302 9.65047 13.209 16.8321 20.1786 9.64673 5.33325 10.2352 7.27724 12.0894 numMergedOcc 0
13 mol 95 unq 1 iso 0 dist 9.02302 9.65047 13.209 16.8321 20.1786 9.64673 5.69671 12.7489 8.03644 16.4832 numMergedOcc 0
14 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
15 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
16 mol 133 unq 0 iso 0 dist 4.69402 5.86531 6.25005 4.98521 9.38308 9.47554 6.26797 10.4155 7.11802 5.34829 numMergedOcc 0
17 mol 133 unq 1 iso 0 dist 4.69402 5.86531 6.25005 4.98521 9.38308 9.47554 9.73435 11.4588 8.00618 9.67676 numMergedOcc 0
18 mol 205 unq 0 iso 0 dist 7.97183 5.96555 4.25942 4.12904 9.46554 8.52924 4.6995 9.82156 6.03031 7.17157 numMergedOcc 0
19 mol 205 unq 1 iso 0 dist 7.97183 5.96555 4.25942 4.12904 9.46554 8.52924 10.7091 10.4618 7.26832 11.993 numMergedOcc 0
20 mol 205 unq 2 iso 0 dist 7.97183 5.96555 4.25942 4.12904 9.46554 8.52924 5.87892 9.3629 7.80463 9.67882 numMergedOcc 0
21 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
22 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
23 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
24 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
25 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
26 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
27 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
