0 mol 10 unq 0 iso 0 dist 6.50444 8.55472 8.09253 5.94361 6.18431 6.77258 14.2528 9.24342 8.53436 10.8707 numMergedOcc 0
1 mol 27 unq 0 iso 0 dist 6.56549 10.4277 9.53382 4.26037 5.9635 7.07579 14.0672 8.14402 9.88299 11.6203 numMergedOcc 0
2 mol 76 unq 0 iso 0 dist 6.63973 15.1383 9.78762 13.5835 8.77077 6.39948 12.1652 8.66335 7.71596 12.0347 numMergedOcc 0
3 mol 112 unq 0 iso 0 dist 4.77996 4.59061 7.77418 6.43704 6.11407 5.54999 6.30128 5.96497 9.37708 10.865 numMergedOcc 0
4 mol 171 unq 0 iso 0 dist 6.76574 5.67061 9.38425 4.47323 5.74846 8.3856 13.3951 11.8262 9.59797 13.3556 numMergedOcc 0
5 mol 184 unq 0 iso 0 dist 8.27396 11.2463 9.07247 12.4352 7.58375 4.84884 15.4961 10.6375 5.13722 5.0207 numMergedOcc 0
6 mol 186 unq 0 iso 0 dist 9.18289 13.4102 8.41456 6.33168 6.56416 12.1711 9.71223 5.32701 8.09373 10.4322 numMergedOcc 0
7 mol 193 unq 0 iso 0 dist 7.85801 13.518 8.28942 9.87367 8.15661 5.35985 14.4262 9.98298 9.16852 9.82224 numMergedOcc 0
8 mol 224 unq 0 iso 0 dist 6.32334 4.61429 5.31916 4.12728 9.25617 7.45491 12.0262 7.57013 8.68767 13.6158 numMergedOcc 0
9 mol 224 unq 1 iso 0 dist 6.32334 4.61429 5.31916 7.13796 9.05276 5.77278 12.0262 7.57013 8.68767 9.42667 numMergedOcc 0
10 mol 274 unq 0 iso 0 dist 7.15079 12.746 9.40401 9.95931 7.77765 7.42475 15.3297 13.3483 9.30966 15.6263 numMergedOcc 0
11 mol 274 unq 1 iso 0 dist 7.15079 12.746 9.40401 9.95931 7.77765 7.42475 11.0909 7.5856 5.38704 10.2662 numMergedOcc 0
12 mol 274 unq 2 iso 0 dist 7.15079 12.746 9.40401 9.95931 7.77765 7.42475 11.8069 5.04738 8.05503 9.61642 numMergedOcc 0
13 mol 274 unq 3 iso 0 dist 7.15079 10.9845 5.64169 9.95931 7.77765 4.48276 11.0909 7.5856 8.26695 10.2662 numMergedOcc 0
14 mol 274 unq 4 iso 0 dist 7.15079 10.9845 5.64169 9.95931 7.77765 4.48276 11.8069 5.04738 5.59151 9.61642 numMergedOcc 0
15 mol 274 unq 5 iso 0 dist 7.15079 10.9845 5.64169 9.95931 7.77765 4.48276 16.1308 12.0951 8.17922 8.30714 numMergedOcc 0
