0 mol 14 unq 0 iso 0 dist 6.89209 6.09608 8.39221 5.49061 6.38364 7.00835 11.6708 9.18933 7.54797 8.73627 numMergedOcc 0
1 mol 16 unq 0 iso 0 dist 8.59049 10.2869 8.47315 5.70228 4.7319 5.59769 17.6717 11.0043 9.51574 12.359 numMergedOcc 0
2 mol 16 unq 1 iso 0 dist 8.59049 10.2869 8.47315 5.70228 4.7319 5.59769 13.2878 6.73304 9.39137 9.29952 numMergedOcc 0
3 mol 34 unq 0 iso 0 dist 5.2422 5.41061 6.87871 5.74753 9.24927 8.95909 13.0074 10.4854 9.52614 17.7419 numMergedOcc 0
4 mol 90 unq 0 iso 0 dist 8.44515 11.6592 7.49054 6.1985 5.83409 5.49044 14.5561 6.23291 8.21858 10.4075 numMergedOcc 0
5 mol 90 unq 1 iso 0 dist 9.41382 5.79126 7.49054 6.45992 5.83409 5.49044 11.0362 6.23291 8.21858 10.4075 numMergedOcc 0
6 mol 109 unq 0 iso 0 dist 7.51061 5.07258 8.21889 5.29855 7.34473 5.5332 9.2046 10.6667 9.0224 13.1633 numMergedOcc 0
7 mol 119 unq 0 iso 0 dist 8.62648 10.604 9.42766 4.6251 8.73993 14.0677 14.4891 7.09701 9.95698 15.5777 numMergedOcc 0
8 mol 156 unq 0 iso 0 dist 9.68507 4.87536 6.71202 9.75709 7.66148 5.70205 9.04176 4.08699 8.24004 10.543 numMergedOcc 0
9 mol 156 unq 1 iso 0 dist 7.98018 5.21836 9.16591 4.68187 9.83699 9.27577 9.41152 4.7382 9.61678 12.6493 numMergedOcc 0
10 mol 220 unq 0 iso 0 dist 6.21273 9.98645 7.31105 5.1021 9.23153 14.6296 8.58709 4.90657 9.58724 9.8711 numMergedOcc 0
11 mol 220 unq 1 iso 0 dist 6.21273 9.98645 7.31105 6.29601 8.24498 9.52692 8.58709 4.90657 9.58724 12.6756 numMergedOcc 0
12 mol 224 unq 0 iso 0 dist 9.73411 13.9782 9.33771 14.1073 8.95269 5.41021 18.7994 14.2632 5.90784 6.56437 numMergedOcc 0
13 mol 224 unq 1 iso 0 dist 9.73411 13.9782 9.33771 14.1073 8.95269 5.41021 18.4968 9.59595 8.50322 9.53131 numMergedOcc 0
14 mol 224 unq 2 iso 0 dist 9.73411 13.9782 9.33771 9.81806 6.57273 4.91322 18.7994 14.2632 5.90784 9.2491 numMergedOcc 0
15 mol 224 unq 3 iso 0 dist 9.73411 13.9782 9.33771 9.81806 6.57273 4.91322 18.4968 9.59595 8.50322 10.7064 numMergedOcc 0
16 mol 224 unq 4 iso 0 dist 9.73411 13.9782 9.33771 5.99647 5.78342 12.979 18.7994 14.2632 5.90784 17.4981 numMergedOcc 0
17 mol 224 unq 5 iso 0 dist 9.73411 13.9782 9.33771 5.99647 5.78342 12.979 18.4968 9.59595 8.50322 15.1912 numMergedOcc 0
18 mol 224 unq 6 iso 0 dist 7.07564 14.788 9.33771 11.8217 8.95269 5.41021 18.3068 14.2632 5.90784 6.56437 numMergedOcc 0
19 mol 224 unq 7 iso 0 dist 7.07564 14.788 9.33771 11.8217 8.95269 5.41021 14.6367 9.59595 8.50322 9.53131 numMergedOcc 0
20 mol 224 unq 8 iso 0 dist 7.07564 14.788 9.33771 10.8463 6.57273 4.91322 18.3068 14.2632 5.90784 9.2491 numMergedOcc 0
21 mol 224 unq 9 iso 0 dist 7.07564 14.788 9.33771 10.8463 6.57273 4.91322 14.6367 9.59595 8.50322 10.7064 numMergedOcc 0
22 mol 224 unq 10 iso 0 dist 7.07564 14.788 9.33771 5.44863 5.78342 12.979 18.3068 14.2632 5.90784 17.4981 numMergedOcc 0
23 mol 224 unq 11 iso 0 dist 7.07564 14.788 9.33771 5.44863 5.78342 12.979 14.6367 9.59595 8.50322 15.1912 numMergedOcc 0
24 mol 229 unq 0 iso 0 dist 8.8557 9.61847 9.84492 5.65373 8.22528 11.9226 14.1998 7.49004 9.92855 15.1936 numMergedOcc 0
25 mol 261 unq 0 iso 0 dist 9.95681 11.6193 9.62828 5.79827 8.02547 10.5691 9.56414 4.50761 9.50269 10.2386 numMergedOcc 0
26 mol 278 unq 0 iso 0 dist 8.83775 14.331 9.82774 4.66992 8.44326 10.5903 16.6033 9.40662 5.12827 13.774 numMergedOcc 0
