0 mol 1 unq 0 iso 0 dist 6.4181 5.06184 6.86701 11.2596 7.29854 7.68226 numMergedOcc 0
1 mol 9 unq 0 iso 0 dist 8.46229 3.96333 8.30653 6.76332 5.41626 5.18338 numMergedOcc 0
2 mol 16 unq 0 iso 0 dist 9.76968 5.36195 8.43054 12.1682 5.45161 8.63347 numMergedOcc 0
3 mol 25 unq 0 iso 0 dist 8.40051 6.29702 4.79873 13.6781 9.36442 9.94577 numMergedOcc 0
4 mol 25 unq 1 iso 0 dist 8.6396 10.0172 7.52933 18.9537 13.7275 9.10473 numMergedOcc 0
5 mol 25 unq 2 iso 0 dist 8.6396 12.2787 8.23761 18.9537 13.7275 9.20827 numMergedOcc 0
6 mol 30 unq 0 iso 0 dist 8.609 3.65941 6.74179 8.64082 7.18789 5.36413 numMergedOcc 0
7 mol 30 unq 1 iso 0 dist 8.609 3.65941 6.74179 11.6968 5.05661 9.30604 numMergedOcc 0
8 mol 68 unq 0 iso 0 dist 8.04256 7.21365 7.39665 12.1634 7.1369 6.37273 numMergedOcc 0
9 mol 68 unq 1 iso 0 dist 7.51075 6.56256 7.39665 6.88786 7.1369 6.37273 numMergedOcc 0
10 mol 73 unq 0 iso 0 dist 8.06168 13.9003 8.72682 13.3024 5.72472 5.79157 numMergedOcc 0
11 mol 73 unq 1 iso 0 dist 8.06168 10.8798 5.61588 13.3024 5.72472 7.91605 numMergedOcc 0
12 mol 73 unq 2 iso 0 dist 8.06168 13.7267 7.83244 13.3024 5.72472 6.43707 numMergedOcc 0
13 mol 73 unq 3 iso 0 dist 8.67532 17.2466 8.72682 12.7777 5.72472 5.79157 numMergedOcc 0
14 mol 73 unq 4 iso 0 dist 8.67532 10.8441 5.61588 12.7777 5.72472 7.91605 numMergedOcc 0
15 mol 73 unq 5 iso 0 dist 8.67532 15.2203 7.83244 12.7777 5.72472 6.43707 numMergedOcc 0
16 mol 88 unq 0 iso 0 dist 9.72689 10.0429 7.80898 11.7741 6.07226 6.89706 numMergedOcc 0
17 mol 88 unq 1 iso 0 dist 7.74197 11.151 7.80898 12.3767 6.07226 6.89706 numMergedOcc 0
18 mol 110 unq 0 iso 0 dist 7.09405 7.7492 8.49678 15.3994 12.3557 9.24252 numMergedOcc 0
19 mol 112 unq 0 iso 0 dist 5.17585 3.82552 4.22363 11.3926 9.6717 9.58666 numMergedOcc 0
20 mol 115 unq 0 iso 0 dist 9.35868 4.57067 6.04595 11.6722 5.78906 8.32738 numMergedOcc 0
21 mol 139 unq 0 iso 0 dist 6.34417 4.37138 5.80789 8.27507 10.3273 9.07404 numMergedOcc 0
22 mol 143 unq 0 iso 0 dist 8.30654 9.60065 7.36975 12.1937 4.98373 6.45477 numMergedOcc 0
23 mol 186 unq 0 iso 0 dist 8.96988 3.6848 8.90571 9.71223 9.653 9.82338 numMergedOcc 0
24 mol 207 unq 0 iso 0 dist 9.18896 9.63192 5.12567 15.9922 6.93784 8.72885 numMergedOcc 0
25 mol 218 unq 0 iso 0 dist 7.0843 3.5359 8.75536 6.2441 9.92743 8.38813 numMergedOcc 0
26 mol 218 unq 1 iso 0 dist 7.73315 3.5359 7.33709 6.2441 12.0573 8.38813 numMergedOcc 0
27 mol 218 unq 2 iso 0 dist 6.9398 3.5359 6.67404 6.2441 8.31343 8.38813 numMergedOcc 0
28 mol 222 unq 0 iso 0 dist 7.85877 4.91709 5.56538 9.31125 5.66819 5.07975 numMergedOcc 0
29 mol 222 unq 1 iso 0 dist 7.85877 5.96186 7.48954 9.31125 5.66819 4.85015 numMergedOcc 0
30 mol 257 unq 0 iso 0 dist 7.82899 14.9352 8.83833 11.3109 5.86413 5.81865 numMergedOcc 0
31 mol 257 unq 1 iso 0 dist 7.82899 14.9352 8.83833 21.3572 13.8679 8.25457 numMergedOcc 0
32 mol 292 unq 0 iso 0 dist 9.6898 18.4042 9.9182 22.3536 13.9754 7.02679 numMergedOcc 0
33 mol 292 unq 1 iso 0 dist 9.6898 14.5738 8.9221 22.3536 13.9754 9.08889 numMergedOcc 0
34 mol 292 unq 2 iso 0 dist 5.75596 6.65781 9.9182 8.92332 13.9754 7.02679 numMergedOcc 0
35 mol 292 unq 3 iso 0 dist 5.75596 4.00064 8.9221 8.92332 13.9754 9.08889 numMergedOcc 0
36 mol 292 unq 4 iso 0 dist 8.37867 6.65781 9.10788 8.92332 5.4258 7.02679 numMergedOcc 0
37 mol 292 unq 5 iso 0 dist 8.37867 4.00064 8.85064 8.92332 5.4258 9.08889 numMergedOcc 0
