0 mol 32 unq 0 iso 0 dist 8.89682 6.76514 8.39998 11.483 8.34024 7.48825 12.1802 14.1006 6.68431 8.68559 numMergedOcc 0
1 mol 88 unq 0 iso 0 dist 6.41105 9.0321 6.64721 9.79441 12.0688 7.71582 14.2584 12.4767 5.90098 8.66514 numMergedOcc 0
2 mol 88 unq 1 iso 0 dist 6.41105 9.0321 6.64721 9.18604 9.95377 6.65776 14.2584 12.4767 5.90098 9.25235 numMergedOcc 0
3 mol 140 unq 0 iso 0 dist 9.74209 6.29125 14.3113 5.35291 14.843 5.63811 9.68229 16.7631 6.69673 6.95323 numMergedOcc 0
4 mol 140 unq 1 iso 0 dist 9.74209 6.29125 14.3113 5.35291 14.843 5.63811 12.1011 21.1556 8.17877 7.27371 numMergedOcc 0
5 mol 156 unq 0 iso 0 dist 6.67598 9.40225 10.3893 11.9162 11.6317 6.90155 14.1844 9.97803 9.30783 8.47155 numMergedOcc 0
6 mol 156 unq 1 iso 0 dist 6.67598 9.40225 10.3893 11.9162 11.6317 6.90155 9.19499 5.0966 7.29758 9.36805 numMergedOcc 0
7 mol 156 unq 2 iso 0 dist 6.67598 9.40225 10.3893 11.9162 11.6317 6.90155 13.581 12.865 4.53931 7.55203 numMergedOcc 0
8 mol 156 unq 3 iso 0 dist 8.98636 9.40225 13.7819 11.9162 16.7602 6.90155 14.1844 13.8782 9.30783 8.47155 numMergedOcc 0
9 mol 156 unq 4 iso 0 dist 8.98636 9.40225 13.7819 11.9162 16.7602 6.90155 9.19499 8.58765 7.29758 9.36805 numMergedOcc 0
10 mol 156 unq 5 iso 0 dist 8.98636 9.40225 13.7819 11.9162 16.7602 6.90155 13.581 16.2371 4.53931 7.55203 numMergedOcc 0
11 mol 156 unq 6 iso 0 dist 8.79185 9.40225 7.02779 11.9162 13.5619 6.90155 14.1844 13.5149 9.30783 8.47155 numMergedOcc 0
12 mol 156 unq 7 iso 0 dist 8.79185 9.40225 7.02779 11.9162 13.5619 6.90155 9.19499 9.07974 7.29758 9.36805 numMergedOcc 0
13 mol 156 unq 8 iso 0 dist 8.79185 9.40225 7.02779 11.9162 13.5619 6.90155 13.581 9.95824 4.53931 7.55203 numMergedOcc 0
14 mol 156 unq 9 iso 0 dist 9.41152 4.94012 6.75279 4.71629 10.377 6.90155 11.4132 12.2868 9.30783 8.47155 numMergedOcc 0
15 mol 156 unq 10 iso 0 dist 9.41152 4.94012 6.75279 4.71629 10.377 6.90155 10.0213 12.6859 7.29758 9.36805 numMergedOcc 0
16 mol 156 unq 11 iso 0 dist 9.41152 4.94012 6.75279 4.71629 10.377 6.90155 7.98018 4.7382 4.53931 7.55203 numMergedOcc 0
17 mol 175 unq 0 iso 0 dist 9.70186 9.15536 9.36129 10.9709 13.0563 4.79852 17.5589 14.0916 11.0415 9.8589 numMergedOcc 0
18 mol 175 unq 1 iso 0 dist 9.70186 9.15536 9.36129 10.9709 13.0563 4.79852 11.5905 7.62435 5.0384 7.24908 numMergedOcc 0
19 mol 181 unq 0 iso 0 dist 8.62543 7.88787 9.47543 9.91634 16.1851 8.20656 14.2552 17.3015 8.25067 6.94688 numMergedOcc 0
20 mol 181 unq 1 iso 0 dist 8.62543 7.88787 9.47543 13.2318 18.4777 9.40622 14.2552 17.3015 8.25067 6.71012 numMergedOcc 0
21 mol 181 unq 2 iso 0 dist 8.03259 9.30874 9.80135 10.168 12.972 8.20656 13.7299 16.475 6.80228 9.6668 numMergedOcc 0
22 mol 181 unq 3 iso 0 dist 8.03259 5.54873 4.97806 10.168 12.972 9.40622 13.7299 16.475 11.6919 9.6668 numMergedOcc 0
23 mol 224 unq 0 iso 0 dist 9.92947 6.04427 12.7034 5.56344 13.1552 4.55996 10.6043 19.7343 7.67202 8.19953 numMergedOcc 0
24 mol 224 unq 1 iso 0 dist 7.46044 6.04427 7.89905 5.56344 9.04427 4.55996 10.6043 6.46679 7.67202 8.19953 numMergedOcc 0
25 mol 224 unq 2 iso 0 dist 8.19011 6.33797 9.39531 7.21175 12.5473 4.55996 12.0013 16.5331 7.67202 8.19953 numMergedOcc 0
26 mol 224 unq 3 iso 0 dist 7.7163 9.97425 5.46434 4.92261 8.60781 8.89778 7.07564 5.63485 9.36098 6.87664 numMergedOcc 0
27 mol 224 unq 4 iso 0 dist 9.2 9.97425 11.0842 4.92261 11.0076 8.89778 7.07564 4.8786 9.36098 6.87664 numMergedOcc 0
28 mol 224 unq 5 iso 0 dist 9.06201 8.39753 5.46434 6.78064 8.60781 8.89778 10.9817 5.63485 9.36098 6.87664 numMergedOcc 0
29 mol 239 unq 0 iso 0 dist 9.78444 8.5166 13.3407 10.9676 17.9077 6.34801 13.742 19.4052 6.26168 7.20082 numMergedOcc 0
30 mol 258 unq 0 iso 0 dist 8.34471 9.11168 10.1271 5.70545 12.027 7.16259 8.40766 9.45618 5.95565 6.49982 numMergedOcc 0
31 mol 274 unq 0 iso 0 dist 7.24089 9.89613 4.05661 5.06637 5.42845 8.49866 13.1605 13.002 14.168 9.19234 numMergedOcc 0
