0 mol 1 unq 0 iso 0 dist 9.35554 8.93702 9.01967 5.99543 9.00903 8.56884 numMergedOcc 0
1 mol 18 unq 0 iso 0 dist 7.37356 8.25905 7.04695 7.426 9.51761 12.3965 numMergedOcc 0
2 mol 18 unq 1 iso 0 dist 7.37356 8.25905 7.04695 7.53082 7.3094 12.8594 numMergedOcc 0
3 mol 43 unq 0 iso 0 dist 6.84521 7.84444 8.01951 5.84171 5.73819 11.6477 numMergedOcc 0
4 mol 43 unq 1 iso 0 dist 8.90024 7.84444 12.2025 13.9129 8.80331 18.2931 numMergedOcc 0
5 mol 43 unq 2 iso 0 dist 8.90024 7.84444 12.2025 5.84171 6.20293 11.6477 numMergedOcc 0
6 mol 43 unq 3 iso 0 dist 6.78532 7.84444 7.68348 5.84171 8.93915 11.6477 numMergedOcc 0
7 mol 70 unq 0 iso 0 dist 6.77833 8.06918 6.65811 5.33532 9.65964 7.92394 numMergedOcc 0
8 mol 70 unq 1 iso 0 dist 6.77833 7.52623 5.47516 5.33532 9.65964 9.93423 numMergedOcc 0
9 mol 70 unq 2 iso 0 dist 6.77833 5.62294 11.0952 5.33532 9.65964 9.34122 numMergedOcc 0
10 mol 70 unq 3 iso 0 dist 9.83265 8.56968 6.65811 7.6455 9.65964 7.92394 numMergedOcc 0
11 mol 70 unq 4 iso 0 dist 9.83265 7.31655 5.47516 7.6455 9.65964 9.93423 numMergedOcc 0
12 mol 70 unq 5 iso 0 dist 9.83265 7.99569 11.0952 7.6455 9.65964 9.34122 numMergedOcc 0
13 mol 72 unq 0 iso 0 dist 5.48831 7.95972 7.17489 13.0773 9.96708 10.4676 numMergedOcc 0
14 mol 72 unq 1 iso 0 dist 5.48831 7.95972 7.17489 10.5933 9.78528 13.3943 numMergedOcc 0
15 mol 90 unq 0 iso 0 dist 7.96299 6.88603 9.85676 6.75623 5.83409 12.0114 numMergedOcc 0
16 mol 94 unq 0 iso 0 dist 6.31237 6.64613 7.39788 6.26149 7.89459 12.0145 numMergedOcc 0
17 mol 95 unq 0 iso 0 dist 8.07365 6.47401 8.73564 14.1188 7.27724 14.0332 numMergedOcc 0
18 mol 112 unq 0 iso 0 dist 8.86938 6.85365 12.8768 4.9102 7.71338 11.6045 numMergedOcc 0
19 mol 120 unq 0 iso 0 dist 5.06555 9.68343 8.94259 7.75534 8.75408 12.865 numMergedOcc 0
20 mol 120 unq 1 iso 0 dist 5.06555 9.68343 8.94259 5.61914 6.44653 13.6677 numMergedOcc 0
21 mol 122 unq 0 iso 0 dist 8.47907 9.55337 5.41882 9.75696 8.37808 13.433 numMergedOcc 0
22 mol 133 unq 0 iso 0 dist 8.66715 4.95674 12.0863 14.0905 7.11802 16.3407 numMergedOcc 0
23 mol 133 unq 1 iso 0 dist 9.00172 4.95674 9.53782 13.2145 6.29155 11.3058 numMergedOcc 0
24 mol 133 unq 2 iso 0 dist 9.00172 4.95674 9.53782 15.719 6.80239 16.0613 numMergedOcc 0
25 mol 133 unq 3 iso 0 dist 9.00172 4.95674 9.53782 14.0905 8.00618 16.3407 numMergedOcc 0
26 mol 133 unq 4 iso 0 dist 8.95433 9.59094 4.68409 11.0811 7.11802 7.92688 numMergedOcc 0
27 mol 134 unq 0 iso 0 dist 5.79157 5.98435 6.74887 13.0109 9.86662 11.2292 numMergedOcc 0
28 mol 134 unq 1 iso 0 dist 5.79157 5.98435 6.74887 14.1608 9.71307 10.9613 numMergedOcc 0
29 mol 134 unq 2 iso 0 dist 5.79157 8.80672 12.6989 13.0109 9.86662 21.5049 numMergedOcc 0
30 mol 134 unq 3 iso 0 dist 5.79157 8.80672 12.6989 14.1608 9.71307 22.2107 numMergedOcc 0
31 mol 167 unq 0 iso 0 dist 6.53913 9.4422 6.58937 12.4033 9.87651 8.62646 numMergedOcc 0
32 mol 178 unq 0 iso 0 dist 8.04723 5.85439 5.25267 14.4072 6.69288 10.5498 numMergedOcc 0
33 mol 178 unq 1 iso 0 dist 8.04723 5.85439 5.25267 13.0519 6.43573 11.4139 numMergedOcc 0
34 mol 178 unq 2 iso 0 dist 8.04723 5.85439 5.25267 10.5681 7.17202 10.2288 numMergedOcc 0
35 mol 178 unq 3 iso 0 dist 8.04723 5.85439 5.25267 9.1499 8.81551 11.4815 numMergedOcc 0
36 mol 181 unq 0 iso 0 dist 8.27794 9.34871 6.14208 4.89429 9.09537 7.20046 numMergedOcc 0
37 mol 181 unq 1 iso 0 dist 8.27794 5.55727 5.95965 4.89429 9.09537 7.13543 numMergedOcc 0
38 mol 205 unq 0 iso 0 dist 9.25882 6.37411 12.1001 9.40714 7.80463 13.7173 numMergedOcc 0
39 mol 209 unq 0 iso 0 dist 5.92907 5.20111 6.43758 5.35615 7.56373 9.52027 numMergedOcc 0
40 mol 235 unq 0 iso 0 dist 6.45574 6.43838 10.6981 6.70342 5.4638 10.7117 numMergedOcc 0
41 mol 235 unq 1 iso 0 dist 6.45574 9.24964 9.66021 6.70342 5.4638 9.58736 numMergedOcc 0
42 mol 235 unq 2 iso 0 dist 8.14407 5.71896 9.66021 6.01036 5.4638 9.58736 numMergedOcc 0
43 mol 248 unq 0 iso 0 dist 7.40475 7.96942 10.1857 7.63032 7.69895 8.50864 numMergedOcc 0
44 mol 248 unq 1 iso 0 dist 7.40475 7.96942 10.1857 6.42334 7.21521 11.9152 numMergedOcc 0
45 mol 248 unq 2 iso 0 dist 7.40475 7.96942 10.1857 6.86606 8.2965 14.4409 numMergedOcc 0
46 mol 274 unq 0 iso 0 dist 9.13226 8.38395 6.68358 10.7073 7.56915 12.5979 numMergedOcc 0
47 mol 274 unq 1 iso 0 dist 9.13226 8.38395 6.68358 11.3302 8.49997 14.3371 numMergedOcc 0
48 mol 294 unq 0 iso 0 dist 7.77765 7.86196 6.17102 9.62211 8.15665 9.03492 numMergedOcc 0
