0 mol 25 unq 0 iso 0 dist 8.50539 10.0986 8.40051 16.4721 10.5274 8.46842 numMergedOcc 0
1 mol 25 unq 1 iso 0 dist 8.83402 13.2677 9.87281 14.4704 12.3669 9.07927 numMergedOcc 0
2 mol 25 unq 2 iso 0 dist 8.83402 13.7276 7.63928 14.4704 12.3669 8.50987 numMergedOcc 0
3 mol 68 unq 0 iso 0 dist 8.25884 5.82571 8.04256 14.6847 10.1479 9.74289 numMergedOcc 0
4 mol 76 unq 0 iso 0 dist 9.0101 9.08836 6.4551 9.63228 5.94401 7.36475 numMergedOcc 0
5 mol 129 unq 0 iso 0 dist 4.76012 8.48942 6.38163 8.06536 4.02665 9.06272 numMergedOcc 0
6 mol 176 unq 0 iso 0 dist 6.55106 7.68038 7.30954 12.6957 15.867 9.84636 numMergedOcc 0
7 mol 176 unq 1 iso 0 dist 8.08891 4.68256 7.30954 9.67536 15.867 9.84636 numMergedOcc 0
8 mol 180 unq 0 iso 0 dist 5.78414 5.31 5.80441 5.9064 4.80648 7.24785 numMergedOcc 0
9 mol 180 unq 1 iso 0 dist 5.78414 5.31 5.80441 9.44083 5.28726 7.53287 numMergedOcc 0
10 mol 218 unq 0 iso 0 dist 6.44877 13.426 7.73315 22.079 15.8157 9.95084 numMergedOcc 0
11 mol 220 unq 0 iso 0 dist 6.50591 4.8193 7.75084 4.42722 6.24332 4.71754 numMergedOcc 0
12 mol 229 unq 0 iso 0 dist 8.17234 12.61 8.6537 13.4696 12.8446 9.68636 numMergedOcc 0
13 mol 234 unq 0 iso 0 dist 6.28725 4.94699 7.86368 9.19081 14.3029 7.17987 numMergedOcc 0
14 mol 238 unq 0 iso 0 dist 9.77491 6.2683 6.24928 14.4893 5.6925 9.94587 numMergedOcc 0
