0 mol 46 unq 0 iso 0 dist 7.39124 6.57152 8.55202 12.8164 9.44812 8.79378 numMergedOcc 0
1 mol 76 unq 0 iso 0 dist 5.65006 5.94401 6.63973 5.61831 3.35924 6.46582 numMergedOcc 0
2 mol 79 unq 0 iso 0 dist 7.56 8.97165 8.59739 11.608 5.70329 7.06029 numMergedOcc 0
3 mol 109 unq 0 iso 0 dist 5.15951 4.3613 6.67635 4.30961 3.54756 6.3323 numMergedOcc 0
4 mol 113 unq 0 iso 0 dist 6.53198 8.97892 6.12348 10.0487 3.52445 7.08403 numMergedOcc 0
5 mol 116 unq 0 iso 0 dist 8.59846 9.33983 9.87191 12.3388 6.16979 8.24233 numMergedOcc 0
6 mol 116 unq 1 iso 0 dist 9.6001 13.5296 9.87191 14.5571 6.16979 8.24233 numMergedOcc 0
7 mol 168 unq 0 iso 0 dist 8.65328 9.52243 9.23064 9.57924 6.06538 8.97414 numMergedOcc 0
8 mol 168 unq 1 iso 0 dist 8.65328 9.52243 9.23064 12.6902 13.0096 8.00063 numMergedOcc 0
9 mol 169 unq 0 iso 0 dist 6.4644 8.878 6.27683 10.0553 3.59996 7.33643 numMergedOcc 0
10 mol 186 unq 0 iso 0 dist 7.49839 13.7072 9.18289 12.107 4.97041 6.99587 numMergedOcc 0
11 mol 186 unq 1 iso 0 dist 7.49839 13.7072 9.18289 12.9882 6.50779 4.37577 numMergedOcc 0
12 mol 233 unq 0 iso 0 dist 7.79426 6.03685 5.76164 10.5833 6.70299 9.69772 numMergedOcc 0
