0 mol 8 unq 0 iso 0 dist 9.11545 12.1654 8.89145 12.928 9.31461 11.4855 numMergedOcc 0
1 mol 8 unq 1 iso 0 dist 9.11545 13.8674 6.92865 12.928 9.31461 5.96331 numMergedOcc 0
2 mol 19 unq 0 iso 0 dist 8.96529 11.5235 8.18518 8.87988 5.96899 9.32418 numMergedOcc 0
3 mol 19 unq 1 iso 0 dist 9.39332 12.695 8.18518 6.08822 5.96899 9.32418 numMergedOcc 0
4 mol 19 unq 2 iso 0 dist 6.79758 5.21676 7.78708 5.09246 9.97466 8.32752 numMergedOcc 0
5 mol 19 unq 3 iso 0 dist 6.79758 7.65931 7.84393 5.09246 9.97466 6.3033 numMergedOcc 0
6 mol 42 unq 0 iso 0 dist 9.83301 7.92237 8.52254 9.67906 7.53194 3.53534 numMergedOcc 0
7 mol 48 unq 0 iso 0 dist 7.49678 5.50758 8.89758 11.6027 8.10222 8.42491 numMergedOcc 0
8 mol 68 unq 0 iso 0 dist 5.68303 10.2854 9.7754 3.97203 5.26566 6.60361 numMergedOcc 0
9 mol 68 unq 1 iso 0 dist 5.68303 10.2854 9.7754 3.90966 6.27118 9.64558 numMergedOcc 0
10 mol 76 unq 0 iso 0 dist 8.08674 9.08836 4.83274 6.27527 5.91098 3.69293 numMergedOcc 0
11 mol 76 unq 1 iso 0 dist 8.33694 9.08836 7.89214 6.27527 4.86523 3.69293 numMergedOcc 0
12 mol 88 unq 0 iso 0 dist 9.75856 11.3232 7.76275 7.19267 5.6516 6.27514 numMergedOcc 0
13 mol 114 unq 0 iso 0 dist 8.25015 6.6622 8.19156 6.06647 8.53631 4.97363 numMergedOcc 0
14 mol 114 unq 1 iso 0 dist 8.25015 12.4364 9.54589 6.06647 8.53631 15.1362 numMergedOcc 0
15 mol 122 unq 0 iso 0 dist 8.50192 5.29937 9.69673 7.92835 4.821 8.5619 numMergedOcc 0
16 mol 143 unq 0 iso 0 dist 9.6112 8.99682 5.30872 6.65884 8.10681 7.20921 numMergedOcc 0
17 mol 143 unq 1 iso 0 dist 7.88346 12.628 7.5984 6.03327 5.33772 6.75249 numMergedOcc 0
18 mol 204 unq 0 iso 0 dist 8.68482 4.65392 7.7292 4.79731 6.46946 6.49075 numMergedOcc 0
19 mol 204 unq 1 iso 0 dist 8.68482 11.0965 6.27396 4.79731 6.46946 8.62057 numMergedOcc 0
20 mol 205 unq 0 iso 0 dist 6.73513 10.4602 6.57849 12.1876 8.83628 4.69695 numMergedOcc 0
21 mol 214 unq 0 iso 0 dist 7.7874 4.71355 7.77535 14.6013 9.53899 11.4905 numMergedOcc 0
22 mol 214 unq 1 iso 0 dist 8.67902 9.17261 8.47248 6.49597 9.59498 6.07496 numMergedOcc 0
23 mol 256 unq 0 iso 0 dist 9.34785 5.59478 7.54586 9.39816 6.33954 4.6374 numMergedOcc 0
24 mol 277 unq 0 iso 0 dist 6.92271 6.29035 9.84188 9.69757 4.1545 13.7583 numMergedOcc 0
25 mol 277 unq 1 iso 0 dist 6.92271 6.29035 9.84188 10.2113 4.25172 13.6433 numMergedOcc 0
26 mol 277 unq 2 iso 0 dist 6.92271 4.83355 8.35794 9.69757 4.1545 11.8607 numMergedOcc 0
27 mol 277 unq 3 iso 0 dist 6.92271 4.83355 8.35794 10.2113 4.25172 10.9137 numMergedOcc 0
28 mol 277 unq 4 iso 0 dist 8.62666 15.7541 9.84188 7.55695 4.1545 13.7583 numMergedOcc 0
29 mol 277 unq 5 iso 0 dist 8.62666 15.7541 9.84188 6.26644 4.25172 13.6433 numMergedOcc 0
30 mol 277 unq 6 iso 0 dist 8.62666 11.2857 8.35794 7.55695 4.1545 11.8607 numMergedOcc 0
31 mol 277 unq 7 iso 0 dist 8.62666 11.2857 8.35794 6.26644 4.25172 10.9137 numMergedOcc 0
