0 mol 8 unq 0 iso 0 dist 7.61253 12.4742 8.4444 13.6594 7.20987 5.00267 numMergedOcc 0
1 mol 8 unq 1 iso 0 dist 8.89531 11.1464 8.4444 13.6979 7.20987 5.00267 numMergedOcc 0
2 mol 8 unq 2 iso 0 dist 9.11545 18.1967 9.95165 25.3079 16.9454 7.12263 numMergedOcc 0
3 mol 8 unq 3 iso 0 dist 9.11545 18.1967 9.95165 17.9878 8.95363 5.00267 numMergedOcc 0
4 mol 19 unq 0 iso 0 dist 9.82581 8.80435 9.23617 12.878 6.57527 7.69625 numMergedOcc 0
5 mol 19 unq 1 iso 0 dist 8.96529 8.80435 8.63204 12.878 11.9235 7.69625 numMergedOcc 0
6 mol 19 unq 2 iso 0 dist 9.39332 15.8565 8.63204 20.9936 11.9235 7.69625 numMergedOcc 0
7 mol 19 unq 3 iso 0 dist 6.79758 10.0651 8.75332 10.0243 4.93362 7.69625 numMergedOcc 0
8 mol 53 unq 0 iso 0 dist 6.26613 4.37564 6.95013 8.92376 9.61297 4.75776 numMergedOcc 0
9 mol 55 unq 0 iso 0 dist 8.77199 10.2715 7.43154 13.9448 8.45629 6.13181 numMergedOcc 0
10 mol 186 unq 0 iso 0 dist 8.86673 5.99908 4.97005 12.6382 10.0516 7.55358 numMergedOcc 0
11 mol 186 unq 1 iso 0 dist 8.86673 5.99908 4.97005 13.2493 5.57831 7.60991 numMergedOcc 0
12 mol 186 unq 2 iso 0 dist 8.86673 5.44713 7.22 12.6382 10.0516 8.87818 numMergedOcc 0
13 mol 218 unq 0 iso 0 dist 5.59354 4.36657 8.23919 10.764 9.05333 8.93185 numMergedOcc 0
14 mol 218 unq 1 iso 0 dist 5.59354 4.36657 8.23919 8.1139 6.45289 8.22792 numMergedOcc 0
15 mol 227 unq 0 iso 0 dist 6.86845 10.4827 9.33735 14.9481 10.8608 9.56257 numMergedOcc 0
16 mol 227 unq 1 iso 0 dist 8.97396 8.24431 9.33735 15.5861 10.8608 9.56257 numMergedOcc 0
17 mol 260 unq 0 iso 0 dist 5.16772 6.52502 8.54084 5.6002 9.2012 8.3149 numMergedOcc 0
18 mol 281 unq 0 iso 0 dist 8.80931 10.8377 7.86146 12.916 6.7978 4.95189 numMergedOcc 0
19 mol 281 unq 1 iso 0 dist 9.83857 8.24133 7.86146 12.1454 6.7978 4.95189 numMergedOcc 0
20 mol 281 unq 2 iso 0 dist 9.53816 8.24133 6.67705 12.1454 6.60911 4.95189 numMergedOcc 0
21 mol 281 unq 3 iso 0 dist 6.97131 5.33371 6.67705 9.51226 6.60911 4.95189 numMergedOcc 0
22 mol 294 unq 0 iso 0 dist 8.92737 10.4837 6.16375 11.9246 10.0223 7.41079 numMergedOcc 0
23 mol 294 unq 1 iso 0 dist 7.15278 6.89875 6.16375 9.66445 10.0223 7.41079 numMergedOcc 0
