0 mol 43 unq 0 iso 0 dist 9.16827 12.092 6.20293 7.56926 8.60739 9.06158 14.9909 8.13395 8.80331 9.93832 numMergedOcc 0
1 mol 100 unq 0 iso 0 dist 5.09688 12.2879 7.47343 5.25231 9.00544 14.9392 13.6601 8.8807 6.65086 17.8663 numMergedOcc 0
2 mol 100 unq 1 iso 0 dist 5.09688 12.2879 7.47343 5.25231 9.00544 14.9392 17.6466 12.6515 6.56369 20.2183 numMergedOcc 0
3 mol 100 unq 2 iso 0 dist 5.09688 12.2879 7.47343 5.25231 9.00544 14.9392 18.8484 13.887 9.30209 22.6977 numMergedOcc 0
4 mol 100 unq 3 iso 0 dist 5.09688 12.2879 7.47343 6.16378 7.12017 12.6602 13.6601 8.8807 6.65086 12.6061 numMergedOcc 0
5 mol 100 unq 4 iso 0 dist 5.09688 12.2879 7.47343 6.16378 7.12017 12.6602 17.6466 12.6515 6.56369 18.4011 numMergedOcc 0
6 mol 100 unq 5 iso 0 dist 5.09688 12.2879 7.47343 6.16378 7.12017 12.6602 18.8484 13.887 9.30209 17.8494 numMergedOcc 0
7 mol 100 unq 6 iso 0 dist 9.26343 16.4386 7.47343 8.90536 9.00544 14.9392 16.1978 8.8807 6.65086 17.8663 numMergedOcc 0
8 mol 100 unq 7 iso 0 dist 9.26343 16.4386 7.47343 8.90536 9.00544 14.9392 21.6939 12.6515 6.56369 20.2183 numMergedOcc 0
9 mol 100 unq 8 iso 0 dist 9.26343 16.4386 7.47343 8.90536 9.00544 14.9392 21.5791 13.887 9.30209 22.6977 numMergedOcc 0
10 mol 100 unq 9 iso 0 dist 9.26343 16.4386 7.47343 5.69359 7.12017 12.6602 16.1978 8.8807 6.65086 12.6061 numMergedOcc 0
11 mol 100 unq 10 iso 0 dist 9.26343 16.4386 7.47343 5.69359 7.12017 12.6602 21.6939 12.6515 6.56369 18.4011 numMergedOcc 0
12 mol 100 unq 11 iso 0 dist 9.26343 16.4386 7.47343 5.69359 7.12017 12.6602 21.5791 13.887 9.30209 17.8494 numMergedOcc 0
13 mol 129 unq 0 iso 0 dist 8.14071 13.1328 5.83384 10.9764 8.03372 6.67948 16.3001 9.05135 9.61051 15.3413 numMergedOcc 0
14 mol 131 unq 0 iso 0 dist 6.38977 6.82985 8.40312 6.53994 8.86329 5.89022 9.69757 5.55373 7.12972 8.71039 numMergedOcc 0
15 mol 131 unq 1 iso 0 dist 6.38977 6.82985 8.40312 6.53994 8.86329 5.89022 12.5659 10.7062 6.85062 11.6142 numMergedOcc 0
16 mol 131 unq 2 iso 0 dist 9.69757 6.82985 7.12972 6.53994 8.71039 5.89022 6.38977 5.55373 8.40312 8.86329 numMergedOcc 0
17 mol 131 unq 3 iso 0 dist 9.69757 6.82985 7.12972 6.53994 8.71039 5.89022 12.5659 6.63273 6.85062 11.6142 numMergedOcc 0
18 mol 131 unq 4 iso 0 dist 9.69757 6.82985 7.12972 13.4383 6.92648 9.32969 6.38977 5.55373 8.40312 11.4206 numMergedOcc 0
19 mol 131 unq 5 iso 0 dist 9.69757 6.82985 7.12972 13.4383 6.92648 9.32969 12.5659 6.63273 6.85062 9.29384 numMergedOcc 0
20 mol 134 unq 0 iso 0 dist 6.99089 10.1742 6.54501 5.50042 5.53031 5.35679 9.54911 5.79898 9.89303 10.0513 numMergedOcc 0
21 mol 134 unq 1 iso 0 dist 6.99089 12.6542 6.49416 5.50042 5.53031 8.46636 15.1189 8.80819 8.94367 13.9396 numMergedOcc 0
22 mol 134 unq 2 iso 0 dist 6.99089 12.6542 6.49416 5.50042 5.53031 8.46636 11.6481 5.00817 6.37586 10.1537 numMergedOcc 0
23 mol 181 unq 0 iso 0 dist 9.25528 18.2027 9.1374 6.09526 6.51749 13.8722 20.7774 13.2049 8.03334 15.2991 numMergedOcc 0
24 mol 181 unq 1 iso 0 dist 9.25528 11.4901 5.98885 6.09526 6.51749 5.93488 11.3822 10.1912 9.09537 7.20392 numMergedOcc 0
25 mol 206 unq 0 iso 0 dist 8.59262 13.472 9.774 5.90709 8.70977 9.9412 13.3597 5.63422 7.7366 12.3357 numMergedOcc 0
26 mol 227 unq 0 iso 0 dist 6.18486 6.78651 7.55216 5.98086 5.87815 10.6244 9.93154 9.51866 9.34734 13.9889 numMergedOcc 0
27 mol 227 unq 1 iso 0 dist 6.18486 6.78651 7.55216 5.98086 5.87815 10.6244 10.7118 12.4689 7.22101 16.0894 numMergedOcc 0
28 mol 227 unq 2 iso 0 dist 6.18486 6.78651 7.55216 5.98086 5.87815 10.6244 13.6059 12.9332 8.65997 17.8603 numMergedOcc 0
29 mol 227 unq 3 iso 0 dist 6.18486 6.78651 7.55216 5.98086 5.87815 10.6244 9.18218 4.48529 7.56888 10.3595 numMergedOcc 0
30 mol 252 unq 0 iso 0 dist 9.78185 17.5012 8.33025 13.7796 7.50201 11.056 15.1099 6.0987 8.1148 6.53679 numMergedOcc 0
31 mol 252 unq 1 iso 0 dist 9.78185 16.8096 9.2288 13.7796 7.50201 5.23748 15.1099 6.0987 8.1715 6.53679 numMergedOcc 0
32 mol 258 unq 0 iso 0 dist 7.22378 6.8193 6.60405 4.56307 6.70815 7.42673 10.6039 7.26417 6.42289 7.99477 numMergedOcc 0
33 mol 259 unq 0 iso 0 dist 9.47382 13.8605 7.46176 15.3317 8.55558 5.60748 6.49599 6.96053 7.88519 10.5803 numMergedOcc 0
34 mol 259 unq 1 iso 0 dist 9.47382 13.8605 7.46176 15.3317 8.55558 5.60748 9.34738 7.64658 7.84554 12.4037 numMergedOcc 0
35 mol 259 unq 2 iso 0 dist 9.47382 13.8605 7.46176 15.3317 8.55558 5.60748 14.8529 10.5239 9.18903 14.4498 numMergedOcc 0
36 mol 272 unq 0 iso 0 dist 7.66615 10.3544 8.46116 6.43352 9.19033 13.5034 7.22438 5.40809 8.33638 11.9971 numMergedOcc 0
