0 mol 25 unq 0 iso 0 dist 7.0928 9.67946 4.3253 6.32132 5.04899 9.28244 11.7801 8.87757 12.8551 5.77929 numMergedOcc 0
1 mol 54 unq 0 iso 0 dist 7.51978 5.0478 4.29856 10.6355 9.5589 10.6808 13.9555 7.21717 10.7227 15.293 numMergedOcc 0
2 mol 54 unq 1 iso 0 dist 7.51978 5.0478 4.29856 6.43082 6.83299 6.14538 13.9555 7.21717 10.7227 13.86 numMergedOcc 0
3 mol 54 unq 2 iso 0 dist 7.51978 5.0478 4.29856 11.7347 8.10861 10.4158 13.9555 7.21717 10.7227 5.99981 numMergedOcc 0
4 mol 58 unq 0 iso 0 dist 8.52969 9.42188 9.11373 11.6772 6.81627 15.7503 6.10173 7.21955 12.7852 7.09066 numMergedOcc 0
5 mol 58 unq 1 iso 0 dist 8.52969 9.42188 9.11373 9.0406 7.32874 14.564 6.10173 7.21955 12.7852 7.12541 numMergedOcc 0
6 mol 58 unq 2 iso 0 dist 8.52969 9.42188 9.11373 4.98107 9.55426 13.6018 6.10173 7.21955 12.7852 5.74871 numMergedOcc 0
7 mol 100 unq 0 iso 0 dist 5.09688 8.22984 9.75737 9.65979 6.45675 15.8683 6.29383 7.38135 14.4785 7.11701 numMergedOcc 0
8 mol 100 unq 1 iso 0 dist 5.09688 8.22984 9.75737 12.2879 7.47343 16.5404 6.29383 7.38135 14.4785 11.2312 numMergedOcc 0
9 mol 100 unq 2 iso 0 dist 5.09688 8.22984 9.75737 10.2364 8.86688 16.3323 6.29383 7.38135 14.4785 7.79768 numMergedOcc 0
10 mol 100 unq 3 iso 0 dist 9.26343 6.6157 9.75737 13.666 6.45675 15.8683 10.728 7.38135 14.4785 7.11701 numMergedOcc 0
11 mol 100 unq 4 iso 0 dist 9.26343 6.6157 9.75737 16.4386 7.47343 16.5404 10.728 7.38135 14.4785 11.2312 numMergedOcc 0
12 mol 100 unq 5 iso 0 dist 9.26343 6.6157 9.75737 15.5646 8.86688 16.3323 10.728 7.38135 14.4785 7.79768 numMergedOcc 0
13 mol 125 unq 0 iso 0 dist 8.38646 8.6317 9.20086 6.5815 8.62381 12.7356 6.24872 7.73435 6.11502 7.43922 numMergedOcc 0
14 mol 125 unq 1 iso 0 dist 8.38646 8.6317 9.20086 6.5815 8.62381 12.7356 10.4668 9.3778 6.33431 11.0769 numMergedOcc 0
15 mol 181 unq 0 iso 0 dist 6.96824 5.6688 6.29863 8.76337 7.63312 11.9764 4.75774 5.9176 7.22883 5.63555 numMergedOcc 0
16 mol 181 unq 1 iso 0 dist 6.96824 5.6688 6.29863 8.76337 7.63312 11.9764 9.91956 6.41453 11.8112 7.20191 numMergedOcc 0
17 mol 181 unq 2 iso 0 dist 9.25528 5.6688 5.6044 18.2027 9.1374 14.2254 15.4597 8.90963 10.515 8.91338 numMergedOcc 0
18 mol 181 unq 3 iso 0 dist 9.25528 5.6688 5.6044 11.4901 5.98885 9.72611 15.4597 8.90963 10.515 9.81073 numMergedOcc 0
19 mol 181 unq 4 iso 0 dist 9.25528 5.6688 5.6044 11.9545 9.15386 10.428 15.4597 8.90963 10.515 9.34211 numMergedOcc 0
20 mol 182 unq 0 iso 0 dist 7.8621 8.04856 9.81003 6.98787 9.31746 13.7536 9.23913 6.73956 15.0354 7.68794 numMergedOcc 0
21 mol 182 unq 1 iso 0 dist 7.8621 8.04856 9.81003 6.98787 9.31746 13.7536 5.77163 7.09394 11.1375 9.37404 numMergedOcc 0
22 mol 192 unq 0 iso 0 dist 9.05666 7.27051 12.717 5.64431 5.59424 12.0486 5.76622 8.77999 6.60053 8.49529 numMergedOcc 0
23 mol 192 unq 1 iso 0 dist 9.05666 7.27051 12.717 10.8223 7.00794 16.9245 5.76622 8.77999 6.60053 11.7523 numMergedOcc 0
24 mol 192 unq 2 iso 0 dist 9.05666 7.35424 14.8459 5.64431 5.59424 12.708 5.76622 8.77999 9.36796 8.49529 numMergedOcc 0
25 mol 192 unq 3 iso 0 dist 9.05666 7.35424 14.8459 10.8223 7.00794 18.1003 5.76622 8.77999 9.36796 11.7523 numMergedOcc 0
26 mol 204 unq 0 iso 0 dist 7.92766 6.21588 5.86489 14.0488 7.10633 11.5776 15.254 9.68728 10.2072 7.67571 numMergedOcc 0
27 mol 204 unq 1 iso 0 dist 7.92766 6.21588 5.86489 7.58285 8.51516 7.32294 15.254 9.68728 10.2072 10.8573 numMergedOcc 0
28 mol 238 unq 0 iso 0 dist 7.80166 8.03226 14.388 6.77788 5.72887 14.6113 13.6806 9.24557 16.5283 14.7883 numMergedOcc 0
