0 mol 10 unq 0 iso 0 dist 8.44864 6.50444 3.92592 8.55472 5.66059 8.09253 5.94361 5.59965 6.18431 6.77258 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 8.25567 9.22183 6.64374 5.14352 11.2783 9.60699 3.9882 7.35861 9.96912 6.47748 numMergedOcc 0
2 mol 46 unq 0 iso 0 dist 9.27409 8.55202 4.07933 8.85515 8.90992 6.03151 10.7567 9.46945 5.43693 6.5207 numMergedOcc 0
3 mol 98 unq 0 iso 0 dist 5.94696 5.08983 3.92737 4.67787 8.48678 6.74197 12.5752 6.88901 8.46823 14.016 numMergedOcc 0
4 mol 98 unq 1 iso 0 dist 5.94696 5.08983 3.92737 4.67787 8.48678 6.74197 9.51607 7.36769 9.25444 8.83348 numMergedOcc 0
5 mol 112 unq 0 iso 0 dist 6.09626 4.77996 5.08111 4.59061 7.03339 7.77418 6.43704 7.80873 6.11407 5.54999 numMergedOcc 0
6 mol 168 unq 0 iso 0 dist 8.90876 7.30338 4.02702 5.97401 8.30857 5.21801 4.10406 10.0169 9.42807 7.27945 numMergedOcc 0
7 mol 171 unq 0 iso 0 dist 6.80086 6.51523 5.3374 12.1824 12.8765 8.09699 4.98945 10.3989 7.47964 9.21862 numMergedOcc 0
8 mol 171 unq 1 iso 0 dist 6.21194 6.76574 4.88147 5.67061 11.2168 9.38425 4.47323 5.25109 5.74846 8.3856 numMergedOcc 0
9 mol 184 unq 0 iso 0 dist 8.95598 8.27396 4.67256 11.2463 6.65725 9.07247 12.4352 7.54099 7.58375 4.84884 numMergedOcc 0
10 mol 193 unq 0 iso 0 dist 9.37035 7.85801 8.86693 13.518 15.189 8.28942 9.87367 14.406 8.15661 5.35985 numMergedOcc 0
11 mol 274 unq 0 iso 0 dist 9.02071 7.15079 9.78219 12.746 16.8947 9.40401 9.95931 10.6742 7.77765 7.42475 numMergedOcc 0
12 mol 274 unq 1 iso 0 dist 9.02071 7.15079 9.78219 10.9845 11.6996 5.64169 9.95931 10.6742 7.77765 4.48276 numMergedOcc 0
