0 mol 0 unq 0 iso 0 dist 6.94181 5.98788 12.6486 7.49611 13.1231 6.91778 11.0244 15.247 9.15528 7.65806 numMergedOcc 0
1 mol 25 unq 0 iso 0 dist 9.22151 8.00738 6.11127 11.2749 13.7311 8.6653 12.8488 10.8603 5.64303 7.31767 numMergedOcc 0
2 mol 25 unq 1 iso 0 dist 9.22151 8.00738 6.11127 11.2749 13.7311 8.6653 10.5677 11.9355 5.82503 6.03987 numMergedOcc 0
3 mol 25 unq 2 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
4 mol 25 unq 3 iso 0 dist 6.22122 8.00738 5.30154 11.2749 12.9968 8.6653 12.8488 10.8648 5.64303 7.31767 numMergedOcc 0
5 mol 25 unq 4 iso 0 dist 6.22122 8.00738 5.30154 11.2749 12.9968 8.6653 10.5677 10.2779 5.82503 6.03987 numMergedOcc 0
6 mol 25 unq 5 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
7 mol 54 unq 0 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
8 mol 54 unq 1 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
9 mol 115 unq 0 iso 0 dist 8.46684 5.9575 5.31484 6.23018 11.4095 6.92026 9.47822 10.498 6.77806 5.11551 numMergedOcc 0
10 mol 115 unq 1 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
11 mol 119 unq 0 iso 0 dist 8.90009 9.57532 6.19368 12.1367 14.6242 9.23858 13.63 14.8838 9.89358 8.73993 numMergedOcc 0
12 mol 156 unq 0 iso 0 dist 9.68507 6.40435 6.03934 11.0374 12.0598 9.44367 10.2339 10.1658 5.4555 7.44554 numMergedOcc 0
13 mol 156 unq 1 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
14 mol 180 unq 0 iso 0 dist 9.90787 9.59587 5.67701 6.93557 10.0102 5.85827 16.3276 14.101 8.78204 9.62337 numMergedOcc 0
15 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
16 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
17 mol 181 unq 2 iso 0 dist 6.58792 9.99409 11.85 5.114 9.94371 8.90963 8.90247 6.01247 8.91338 9.1374 numMergedOcc 0
18 mol 181 unq 3 iso 0 dist 6.58792 9.99409 11.85 5.114 9.94371 8.90963 10.3907 12.6324 9.81073 5.98885 numMergedOcc 0
19 mol 181 unq 4 iso 0 dist 6.58792 9.99409 11.85 5.114 9.94371 8.90963 13.7299 16.5106 9.34211 9.15386 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
24 mol 239 unq 0 iso 0 dist 8.7017 6.47859 5.05321 9.78463 13.6473 9.01021 13.742 14.7505 10.0842 7.00034 numMergedOcc 0
