0 mol 0 unq 0 iso 0 dist 6.94181 5.98788 12.6486 5.47921 7.15528 10.5702 10.651 7.19817 15.8251 9.6994 numMergedOcc 0
1 mol 25 unq 0 iso 0 dist 9.22151 8.00738 6.11127 4.96681 7.57578 7.92503 6.22122 4.33106 5.30154 7.17969 numMergedOcc 0
2 mol 25 unq 1 iso 0 dist 6.22122 8.00738 5.30154 4.96681 7.17969 7.92503 9.22151 4.33106 6.11127 7.57578 numMergedOcc 0
3 mol 54 unq 0 iso 0 dist 6.54183 9.57335 4.15717 5.65405 8.10861 10.1454 14.4402 16.3192 18.3033 9.5589 numMergedOcc 0
4 mol 54 unq 1 iso 0 dist 6.54183 9.57335 4.15717 5.65405 8.10861 10.1454 10.5929 14.2075 16.7609 6.83299 numMergedOcc 0
5 mol 54 unq 2 iso 0 dist 6.54183 8.60653 5.99981 5.65405 8.10861 7.21717 14.4402 16.3192 15.293 9.5589 numMergedOcc 0
6 mol 54 unq 3 iso 0 dist 6.54183 8.60653 5.99981 5.65405 8.10861 7.21717 10.5929 14.2075 13.86 6.83299 numMergedOcc 0
7 mol 75 unq 0 iso 0 dist 8.2147 9.3727 10.1786 13.5815 7.79912 17.1635 13.0332 5.64643 14.4797 8.56639 numMergedOcc 0
8 mol 75 unq 1 iso 0 dist 8.2147 9.3727 10.1786 13.5815 7.79912 17.1635 18.603 10.4899 18.8551 8.59017 numMergedOcc 0
9 mol 85 unq 0 iso 0 dist 6.56728 9.78563 7.48183 11.609 7.47541 14.709 13.2962 6.9948 10.9674 7.97049 numMergedOcc 0
10 mol 85 unq 1 iso 0 dist 6.56728 9.78563 7.48183 13.5384 7.66905 12.9368 17.1838 10.7229 12.8949 7.95579 numMergedOcc 0
11 mol 85 unq 2 iso 0 dist 6.56728 9.78563 7.48183 13.5384 7.66905 12.9368 13.2962 6.9948 10.9674 6.19965 numMergedOcc 0
12 mol 100 unq 0 iso 0 dist 9.56324 6.36749 9.75737 16.8752 7.47343 16.5404 17.1897 8.8807 14.3758 6.65086 numMergedOcc 0
13 mol 100 unq 1 iso 0 dist 9.56324 6.36749 9.75737 16.8752 7.47343 16.5404 21.2171 12.6515 20.0968 6.56369 numMergedOcc 0
14 mol 100 unq 2 iso 0 dist 9.56324 6.36749 9.75737 16.8752 7.47343 16.5404 22.2677 13.887 19.3554 9.30209 numMergedOcc 0
15 mol 115 unq 0 iso 0 dist 8.46684 5.9575 5.31484 5.14332 6.90986 5.88249 9.47822 10.498 6.77806 7.11972 numMergedOcc 0
16 mol 156 unq 0 iso 0 dist 9.68507 6.40435 6.03934 9.75709 7.66148 7.90267 10.2339 10.1658 5.4555 8.94056 numMergedOcc 0
17 mol 181 unq 0 iso 0 dist 8.90247 9.99409 8.91338 5.114 9.1374 8.90963 10.3907 8.88798 9.81073 5.98885 numMergedOcc 0
18 mol 181 unq 1 iso 0 dist 8.90247 9.99409 8.91338 5.114 9.1374 8.90963 13.7299 12.1628 9.34211 9.15386 numMergedOcc 0
19 mol 186 unq 0 iso 0 dist 5.16813 5.77158 5.4141 11.0854 8.87694 14.0016 14.4578 9.50685 13.8496 9.09754 numMergedOcc 0
20 mol 227 unq 0 iso 0 dist 7.71761 6.65275 6.48027 5.841 7.55216 5.41321 14.1483 9.51866 10.7656 9.34734 numMergedOcc 0
21 mol 227 unq 1 iso 0 dist 7.71761 6.65275 6.48027 5.841 7.55216 5.41321 12.9898 12.4689 10.9607 7.22101 numMergedOcc 0
22 mol 227 unq 2 iso 0 dist 7.71761 6.65275 6.48027 5.841 7.55216 5.41321 14.1659 12.9332 9.72615 8.65997 numMergedOcc 0
23 mol 227 unq 3 iso 0 dist 7.71761 6.65275 6.48027 5.841 7.55216 5.41321 9.8971 4.48529 5.10635 7.56888 numMergedOcc 0
