0 mol 8 unq 0 iso 0 dist 5.41248 7.77271 8.93691 7.0822 8.79697 6.26865 numMergedOcc 0
1 mol 39 unq 0 iso 0 dist 8.86053 7.54441 4.40395 5.92759 11.9214 8.43814 numMergedOcc 0
2 mol 39 unq 1 iso 0 dist 8.86053 9.84326 10.026 5.92759 11.9214 8.16689 numMergedOcc 0
3 mol 39 unq 2 iso 0 dist 8.76925 7.54441 5.93243 5.92759 5.1736 8.43814 numMergedOcc 0
4 mol 39 unq 3 iso 0 dist 8.76925 9.84326 5.03446 5.92759 5.1736 8.16689 numMergedOcc 0
5 mol 99 unq 0 iso 0 dist 9.39801 8.86001 9.40959 11.6733 14.8655 6.6925 numMergedOcc 0
6 mol 99 unq 1 iso 0 dist 9.39801 8.86001 9.40959 7.52543 10.5384 7.12746 numMergedOcc 0
7 mol 99 unq 2 iso 0 dist 6.02154 9.36749 9.40959 12.7528 14.8655 6.6925 numMergedOcc 0
8 mol 99 unq 3 iso 0 dist 6.02154 9.36749 9.40959 6.93979 10.5384 7.12746 numMergedOcc 0
9 mol 99 unq 4 iso 0 dist 4.82346 8.86001 6.83905 11.6733 11.2459 6.6925 numMergedOcc 0
10 mol 99 unq 5 iso 0 dist 4.82346 8.86001 6.83905 7.52543 9.58975 7.12746 numMergedOcc 0
11 mol 99 unq 6 iso 0 dist 8.07233 9.36749 6.83905 12.7528 11.2459 6.6925 numMergedOcc 0
12 mol 99 unq 7 iso 0 dist 8.07233 9.36749 6.83905 6.93979 9.58975 7.12746 numMergedOcc 0
13 mol 99 unq 8 iso 0 dist 8.89165 8.86001 8.5835 11.6733 14.1193 6.6925 numMergedOcc 0
14 mol 99 unq 9 iso 0 dist 8.89165 8.86001 8.5835 7.52543 13.3559 7.12746 numMergedOcc 0
15 mol 105 unq 0 iso 0 dist 9.96269 6.13301 4.27067 7.9126 6.88308 6.52726 numMergedOcc 0
16 mol 105 unq 1 iso 0 dist 9.96269 6.13301 4.27067 5.68682 13.1517 9.12363 numMergedOcc 0
17 mol 105 unq 2 iso 0 dist 9.96269 6.13301 4.27067 6.12741 10.5474 6.50017 numMergedOcc 0
18 mol 114 unq 0 iso 0 dist 8.75093 8.90311 16.5867 12.9601 16.0164 9.49413 numMergedOcc 0
19 mol 140 unq 0 iso 0 dist 6.55217 6.29125 10.9472 5.35291 10.8779 5.63811 numMergedOcc 0
20 mol 140 unq 1 iso 0 dist 7.21686 6.29125 8.08387 5.35291 10.246 5.63811 numMergedOcc 0
21 mol 193 unq 0 iso 0 dist 7.71716 9.42057 11.453 6.8779 10.2826 6.33838 numMergedOcc 0
22 mol 224 unq 0 iso 0 dist 5.07376 6.04427 4.60179 5.56344 7.26162 4.55996 numMergedOcc 0
23 mol 224 unq 1 iso 0 dist 8.96263 8.39753 4.76056 6.78064 9.89345 8.89778 numMergedOcc 0
24 mol 224 unq 2 iso 0 dist 7.35677 8.39753 4.1117 6.78064 10.811 8.89778 numMergedOcc 0
25 mol 228 unq 0 iso 0 dist 9.63694 7.39392 5.09026 11.5853 10.4264 7.46689 numMergedOcc 0
26 mol 228 unq 1 iso 0 dist 8.06909 7.39392 7.86738 11.5853 15.1699 7.46689 numMergedOcc 0
27 mol 228 unq 2 iso 0 dist 9.64659 7.56863 5.19012 11.4416 10.3655 7.09766 numMergedOcc 0
28 mol 228 unq 3 iso 0 dist 8.22515 7.56863 7.98833 11.4416 14.9114 7.09766 numMergedOcc 0
29 mol 238 unq 0 iso 0 dist 5.77828 7.90344 5.05275 13.4787 10.136 6.00721 numMergedOcc 0
30 mol 239 unq 0 iso 0 dist 7.80073 9.10967 4.81796 7.1782 6.98781 7.25543 numMergedOcc 0
31 mol 258 unq 0 iso 0 dist 9.53832 9.11168 7.16525 5.70545 11.2991 7.16259 numMergedOcc 0
