0 mol 0 unq 0 iso 0 dist 9.94618 5.98788 7.06591 7.49611 12.4363 6.91778 11.0244 9.77868 9.15528 7.65806 numMergedOcc 0
1 mol 7 unq 0 iso 0 dist 8.85869 9.02286 5.03532 14.1047 9.85726 6.44736 19.2577 11.5784 12.2869 9.60499 numMergedOcc 0
2 mol 7 unq 1 iso 0 dist 7.5298 9.02286 4.45508 14.1047 10.8678 6.44736 19.2577 15.6279 12.2869 9.60499 numMergedOcc 0
3 mol 7 unq 2 iso 0 dist 7.87568 9.02286 5.41499 14.1047 10.0826 6.44736 19.2577 17.5997 12.2869 9.60499 numMergedOcc 0
4 mol 54 unq 0 iso 0 dist 6.10175 8.60653 7.93241 5.65405 5.59773 7.21717 14.4402 13.9079 15.293 9.5589 numMergedOcc 0
5 mol 54 unq 1 iso 0 dist 6.10175 8.60653 7.93241 5.65405 5.59773 7.21717 10.5929 10.4238 13.86 6.83299 numMergedOcc 0
6 mol 54 unq 2 iso 0 dist 6.10175 8.60653 7.93241 5.65405 5.59773 7.21717 6.54183 10.1356 5.99981 8.10861 numMergedOcc 0
7 mol 119 unq 0 iso 0 dist 7.26463 8.61574 13.6411 10.5726 15.5753 9.23858 8.88255 9.35307 9.89358 8.73993 numMergedOcc 0
8 mol 119 unq 1 iso 0 dist 9.29439 9.21645 5.8134 11.6494 13.3876 8.00003 16.8793 15.6781 10.4376 6.18601 numMergedOcc 0
9 mol 130 unq 0 iso 0 dist 8.26291 6.87196 7.91054 10.9365 7.83619 7.96646 13.2314 10.0837 6.73735 9.28393 numMergedOcc 0
10 mol 131 unq 0 iso 0 dist 5.50364 5.43662 4.17212 5.29825 8.97145 8.70296 12.0117 14.257 14.2045 6.85062 numMergedOcc 0
11 mol 131 unq 1 iso 0 dist 8.7301 5.43662 9.64263 5.29825 6.5874 8.70296 12.0117 7.60371 14.2045 6.85062 numMergedOcc 0
12 mol 156 unq 0 iso 0 dist 9.04176 6.40435 5.0315 11.0374 13.7555 9.44367 10.2339 9.75421 5.4555 7.44554 numMergedOcc 0
13 mol 156 unq 1 iso 0 dist 9.04176 6.40435 5.0315 9.75709 10.543 7.90267 9.68507 4.08699 6.03934 7.66148 numMergedOcc 0
14 mol 156 unq 2 iso 0 dist 9.04176 6.40435 5.0315 9.75709 10.543 7.90267 10.2339 9.75421 5.4555 8.94056 numMergedOcc 0
15 mol 181 unq 0 iso 0 dist 8.03259 9.99409 9.21613 5.114 11.2315 8.90963 8.90247 6.94401 8.91338 9.1374 numMergedOcc 0
16 mol 181 unq 1 iso 0 dist 8.03259 9.99409 9.21613 5.114 11.2315 8.90963 10.3907 13.9623 9.81073 5.98885 numMergedOcc 0
17 mol 181 unq 2 iso 0 dist 8.03259 9.99409 9.21613 5.114 11.2315 8.90963 13.7299 16.475 9.34211 9.15386 numMergedOcc 0
18 mol 181 unq 3 iso 0 dist 4.35909 8.50938 6.70394 5.32859 7.44191 6.46704 11.0615 9.60754 4.43096 8.03334 numMergedOcc 0
19 mol 181 unq 4 iso 0 dist 5.77393 8.50938 10.8517 5.32859 6.00053 6.46704 11.0615 11.1879 4.43096 8.03334 numMergedOcc 0
20 mol 220 unq 0 iso 0 dist 8.58709 7.58118 4.39102 5.1021 9.8711 6.59716 6.21273 4.90657 7.11498 9.23153 numMergedOcc 0
21 mol 227 unq 0 iso 0 dist 7.99145 6.65275 5.75236 5.841 9.17826 5.41321 14.1483 16.2594 10.7656 9.34734 numMergedOcc 0
22 mol 227 unq 1 iso 0 dist 7.99145 6.65275 5.75236 5.841 9.17826 5.41321 12.9898 14.9329 10.9607 7.22101 numMergedOcc 0
23 mol 227 unq 2 iso 0 dist 7.99145 6.65275 5.75236 5.841 9.17826 5.41321 14.1659 13.2783 9.72615 8.65997 numMergedOcc 0
24 mol 227 unq 3 iso 0 dist 7.99145 6.65275 5.75236 5.841 9.17826 5.41321 9.8971 10.6504 5.10635 7.56888 numMergedOcc 0
25 mol 227 unq 4 iso 0 dist 7.99145 6.65275 5.75236 5.841 9.17826 5.41321 7.71761 11.4528 6.48027 7.55216 numMergedOcc 0
26 mol 239 unq 0 iso 0 dist 9.78444 6.47859 10.225 9.78463 18.214 9.01021 13.742 19.4052 10.0842 7.00034 numMergedOcc 0
27 mol 248 unq 0 iso 0 dist 9.8995 8.80866 5.35196 5.44123 11.0373 7.16525 11.505 7.01447 4.30004 9.56569 numMergedOcc 0
28 mol 273 unq 0 iso 0 dist 9.36052 8.16005 5.527 6.69098 12.8035 8.49177 13.6003 14.1076 9.25493 9.01049 numMergedOcc 0
