0 mol 70 unq 0 iso 0 dist 9.74268 7.95122 5.22626 6.95018 9.65964 10.1773 7.98177 6.54023 9.31969 9.03317 numMergedOcc 0
1 mol 100 unq 0 iso 0 dist 9.26343 9.91446 13.8729 13.666 6.45675 18.696 8.90536 9.00544 18.0041 11.8512 numMergedOcc 0
2 mol 100 unq 1 iso 0 dist 9.26343 9.91446 13.8729 13.666 6.45675 18.696 5.69359 7.12017 10.8066 9.52882 numMergedOcc 0
3 mol 100 unq 2 iso 0 dist 9.26343 9.91446 13.8729 16.4386 7.47343 19.3587 8.90536 9.00544 18.0041 14.9392 numMergedOcc 0
4 mol 100 unq 3 iso 0 dist 9.26343 9.91446 13.8729 16.4386 7.47343 19.3587 5.69359 7.12017 10.8066 12.6602 numMergedOcc 0
5 mol 100 unq 4 iso 0 dist 9.26343 9.91446 13.8729 15.5646 8.86688 22.0839 8.90536 9.00544 18.0041 9.01214 numMergedOcc 0
6 mol 100 unq 5 iso 0 dist 9.26343 9.91446 13.8729 15.5646 8.86688 22.0839 5.69359 7.12017 10.8066 14.8674 numMergedOcc 0
7 mol 112 unq 0 iso 0 dist 7.65229 7.63658 10.838 5.43987 9.60462 11.438 12.468 8.729 13.6135 11.0629 numMergedOcc 0
8 mol 112 unq 1 iso 0 dist 7.65229 7.63658 10.838 9.7695 7.45389 13.9719 12.468 8.729 13.6135 5.48848 numMergedOcc 0
9 mol 114 unq 0 iso 0 dist 5.87387 6.06543 5.59517 6.4595 7.5732 10.1027 11.3694 6.34525 11.6441 11.128 numMergedOcc 0
10 mol 131 unq 0 iso 0 dist 6.38977 9.64856 7.50824 6.82985 8.40312 13.724 6.53994 8.86329 10.5099 5.89022 numMergedOcc 0
11 mol 131 unq 1 iso 0 dist 6.38977 9.69757 5.55373 6.82985 8.40312 7.12972 6.53994 8.86329 8.71039 5.89022 numMergedOcc 0
12 mol 131 unq 2 iso 0 dist 9.69757 9.64856 11.0599 6.82985 7.12972 13.724 6.53994 8.71039 10.5099 5.89022 numMergedOcc 0
13 mol 131 unq 3 iso 0 dist 9.69757 9.64856 11.0599 6.82985 7.12972 13.724 13.4383 6.92648 13.9687 9.32969 numMergedOcc 0
14 mol 131 unq 4 iso 0 dist 9.69757 6.38977 5.55373 6.82985 7.12972 8.40312 6.53994 8.71039 8.86329 5.89022 numMergedOcc 0
15 mol 131 unq 5 iso 0 dist 9.69757 6.38977 5.55373 6.82985 7.12972 8.40312 13.4383 6.92648 11.4206 9.32969 numMergedOcc 0
16 mol 181 unq 0 iso 0 dist 9.25528 6.96824 11.9017 18.2027 9.1374 20.225 6.09526 6.51749 11.6563 13.8722 numMergedOcc 0
17 mol 181 unq 1 iso 0 dist 9.25528 6.96824 11.9017 11.4901 5.98885 15.333 6.09526 6.51749 11.6563 5.93488 numMergedOcc 0
18 mol 181 unq 2 iso 0 dist 9.25528 6.96824 11.9017 11.9545 9.15386 14.4936 6.09526 6.51749 11.6563 7.64267 numMergedOcc 0
19 mol 204 unq 0 iso 0 dist 7.92766 6.32652 12.5143 14.0488 7.10633 19.1577 10.2224 6.85441 16.2661 8.17229 numMergedOcc 0
20 mol 204 unq 1 iso 0 dist 7.92766 6.32652 12.5143 7.58285 8.51516 13.8351 10.2224 6.85441 16.2661 5.74707 numMergedOcc 0
21 mol 227 unq 0 iso 0 dist 6.18486 9.93154 9.51866 6.78651 7.55216 9.34734 5.98086 5.87815 13.9889 10.6244 numMergedOcc 0
22 mol 227 unq 1 iso 0 dist 6.18486 9.18218 4.48529 6.78651 7.55216 7.56888 5.98086 5.87815 10.3595 10.6244 numMergedOcc 0
23 mol 238 unq 0 iso 0 dist 7.13194 7.2527 10.0191 9.05069 5.72887 13.5431 9.87539 7.32982 6.66971 12.3808 numMergedOcc 0
24 mol 238 unq 1 iso 0 dist 7.80166 9.29203 10.0191 6.77788 5.72887 13.5431 10.4401 7.32982 6.66971 12.3808 numMergedOcc 0
25 mol 238 unq 2 iso 0 dist 7.80166 7.62771 10.1648 6.77788 5.72887 12.8711 10.4401 7.32982 6.4398 12.3808 numMergedOcc 0
26 mol 238 unq 3 iso 0 dist 9.2521 9.82174 14.0328 12.8083 6.22714 13.1053 6.12311 5.64181 13.7544 10.216 numMergedOcc 0
27 mol 238 unq 4 iso 0 dist 9.2521 9.82174 14.0328 10.1821 7.31233 11.101 6.12311 5.64181 13.7544 7.83352 numMergedOcc 0
28 mol 238 unq 5 iso 0 dist 9.2521 8.51359 6.85126 12.8083 6.22714 12.6642 6.12311 5.64181 7.61393 10.216 numMergedOcc 0
29 mol 238 unq 6 iso 0 dist 9.2521 8.51359 6.85126 10.1821 7.31233 13.1583 6.12311 5.64181 7.61393 7.83352 numMergedOcc 0
30 mol 259 unq 0 iso 0 dist 9.47382 6.49599 6.96053 13.8605 7.46176 7.88519 15.3317 8.55558 10.5803 5.60748 numMergedOcc 0
31 mol 259 unq 1 iso 0 dist 9.47382 9.34738 7.64658 13.8605 7.46176 7.84554 15.3317 8.55558 12.4037 5.60748 numMergedOcc 0
32 mol 272 unq 0 iso 0 dist 7.66615 7.22438 5.40809 11.4664 9.97651 13.2494 6.43352 9.19033 11.9971 10.26 numMergedOcc 0
33 mol 272 unq 1 iso 0 dist 7.66615 7.22438 5.40809 10.3544 8.46116 8.33638 6.43352 9.19033 11.9971 13.5034 numMergedOcc 0
