0 mol 18 unq 0 iso 0 dist 9.4649 8.81762 7.29441 8.95573 10.3579 4.71158 6.91413 15.2258 11.6899 11.2059 numMergedOcc 0
1 mol 18 unq 1 iso 0 dist 9.4649 5.32149 10.4194 8.95573 10.3579 8.70343 6.91413 15.2258 5.53824 11.2059 numMergedOcc 0
2 mol 18 unq 2 iso 0 dist 6.45965 8.81762 8.32004 8.95573 5.867 4.71158 6.91413 5.9929 11.6899 11.2059 numMergedOcc 0
3 mol 18 unq 3 iso 0 dist 6.45965 5.32149 6.47139 8.95573 5.867 8.70343 6.91413 5.9929 5.53824 11.2059 numMergedOcc 0
4 mol 34 unq 0 iso 0 dist 9.12062 8.36524 15.5673 5.73257 10.7494 8.90278 8.8717 14.7325 14.0576 8.15141 numMergedOcc 0
5 mol 70 unq 0 iso 0 dist 9.2794 6.77833 5.51579 8.06918 11.9871 6.65811 4.67358 10.1805 9.03317 11.6542 numMergedOcc 0
6 mol 70 unq 1 iso 0 dist 9.2794 6.77833 5.51579 7.52623 9.5704 5.47516 4.67358 10.1805 9.03317 11.7156 numMergedOcc 0
7 mol 70 unq 2 iso 0 dist 9.2794 6.77833 5.51579 5.62294 10.9277 11.0952 4.67358 10.1805 9.03317 4.95817 numMergedOcc 0
8 mol 92 unq 0 iso 0 dist 7.32868 9.96446 9.29076 9.62702 4.47011 10.9381 7.05954 6.3035 5.69731 6.39495 numMergedOcc 0
9 mol 92 unq 1 iso 0 dist 7.32868 9.96446 9.29076 6.97484 11.9916 12.1976 7.05954 6.3035 5.69731 8.23539 numMergedOcc 0
10 mol 92 unq 2 iso 0 dist 7.32868 6.70686 4.39652 9.62702 4.47011 7.17408 7.05954 6.3035 4.14907 6.39495 numMergedOcc 0
11 mol 92 unq 3 iso 0 dist 7.32868 6.70686 4.39652 6.97484 11.9916 10.944 7.05954 6.3035 4.14907 8.23539 numMergedOcc 0
12 mol 133 unq 0 iso 0 dist 6.26722 8.66715 12.7925 4.95674 4.49984 12.0863 8.37793 9.32138 8.28698 7.68389 numMergedOcc 0
13 mol 133 unq 1 iso 0 dist 6.26722 9.00172 12.7637 4.95674 4.49984 9.53782 8.37793 9.32138 5.74088 7.68389 numMergedOcc 0
14 mol 134 unq 0 iso 0 dist 8.49649 8.31276 15.5462 5.98435 11.5532 5.31077 5.8367 4.02705 11.7434 8.05714 numMergedOcc 0
15 mol 134 unq 1 iso 0 dist 8.49649 8.31276 15.5462 8.80672 14.5276 14.0644 5.8367 4.02705 11.7434 13.6926 numMergedOcc 0
16 mol 134 unq 2 iso 0 dist 8.49649 5.79157 6.36794 5.98435 11.5532 6.74887 5.8367 4.02705 5.12325 8.05714 numMergedOcc 0
17 mol 134 unq 3 iso 0 dist 8.49649 5.79157 6.36794 8.80672 14.5276 12.6989 5.8367 4.02705 5.12325 13.6926 numMergedOcc 0
18 mol 134 unq 4 iso 0 dist 8.49649 5.50687 5.73965 5.98435 11.5532 10.9715 5.8367 4.02705 6.02179 8.05714 numMergedOcc 0
19 mol 134 unq 5 iso 0 dist 8.49649 5.50687 5.73965 8.80672 14.5276 8.96357 5.8367 4.02705 6.02179 13.6926 numMergedOcc 0
20 mol 134 unq 6 iso 0 dist 8.49649 7.30919 11.0638 5.98435 11.5532 11.4638 5.8367 4.02705 10.9332 8.05714 numMergedOcc 0
21 mol 134 unq 7 iso 0 dist 8.49649 7.30919 11.0638 8.80672 14.5276 5.9915 5.8367 4.02705 10.9332 13.6926 numMergedOcc 0
22 mol 154 unq 0 iso 0 dist 9.71025 6.44195 5.88662 5.81632 6.28784 5.83431 6.03116 11.9291 6.45768 8.33921 numMergedOcc 0
23 mol 154 unq 1 iso 0 dist 9.71025 7.34207 12.461 5.81632 6.28784 6.53652 6.03116 11.9291 6.55507 8.33921 numMergedOcc 0
24 mol 167 unq 0 iso 0 dist 9.08229 7.9895 12.473 9.4422 10.9873 6.06723 6.6276 6.2621 6.44546 7.04972 numMergedOcc 0
25 mol 167 unq 1 iso 0 dist 9.08229 6.53913 5.48405 9.4422 10.9873 6.58937 6.6276 6.2621 5.48292 7.04972 numMergedOcc 0
26 mol 167 unq 2 iso 0 dist 7.99057 7.9895 8.28846 9.4422 12.2296 6.06723 6.6276 6.17537 6.44546 7.04972 numMergedOcc 0
27 mol 167 unq 3 iso 0 dist 7.99057 6.53913 10.8859 9.4422 12.2296 6.58937 6.6276 6.17537 5.48292 7.04972 numMergedOcc 0
28 mol 209 unq 0 iso 0 dist 6.3344 5.92907 4.1329 5.20111 4.45815 6.43758 9.95951 5.48319 5.96694 9.89528 numMergedOcc 0
29 mol 209 unq 1 iso 0 dist 6.3344 5.92907 4.1329 5.20111 4.45815 6.43758 6.43914 6.10304 4.90038 9.02883 numMergedOcc 0
30 mol 233 unq 0 iso 0 dist 4.91191 6.48196 6.52848 7.99897 5.3674 8.96098 7.07507 5.72267 8.2372 11.0789 numMergedOcc 0
31 mol 248 unq 0 iso 0 dist 8.4908 7.40475 11.014 7.96942 8.23532 10.1857 9.08064 11.3225 5.99459 6.53154 numMergedOcc 0
