0 mol 20 unq 0 iso 0 dist 9.22796 9.03714 5.9809 4.68566 8.25405 6.31611 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 9.56639 7.35595 5.84066 10.2375 6.73167 4.80984 numMergedOcc 0
2 mol 98 unq 0 iso 0 dist 6.74197 10.1356 4.44979 10.7166 6.83746 5.92812 numMergedOcc 0
3 mol 98 unq 1 iso 0 dist 6.74197 10.1356 4.44979 15.5103 9.14707 6.34014 numMergedOcc 0
4 mol 119 unq 0 iso 0 dist 6.88175 10.06 6.55202 6.89245 9.6121 8.96522 numMergedOcc 0
5 mol 134 unq 0 iso 0 dist 7.49352 10.8174 6.57379 13.8289 8.48313 13.6926 numMergedOcc 0
6 mol 162 unq 0 iso 0 dist 8.0852 4.55959 6.65272 10.3457 8.99227 5.80919 numMergedOcc 0
7 mol 162 unq 1 iso 0 dist 8.0852 4.55959 6.65272 9.57283 7.86766 6.12036 numMergedOcc 0
8 mol 162 unq 2 iso 0 dist 8.0852 4.55959 6.65272 14.1212 9.3867 9.96936 numMergedOcc 0
9 mol 195 unq 0 iso 0 dist 5.66071 12.2974 9.74988 11.6678 7.87972 5.15519 numMergedOcc 0
10 mol 224 unq 0 iso 0 dist 5.88041 5.56344 5.73591 12.0413 8.54702 8.5129 numMergedOcc 0
11 mol 224 unq 1 iso 0 dist 5.88041 7.256 8.55345 12.0413 8.54702 7.96876 numMergedOcc 0
12 mol 247 unq 0 iso 0 dist 5.52484 7.35295 8.53041 9.45861 9.92277 5.36525 numMergedOcc 0
13 mol 260 unq 0 iso 0 dist 8.01717 11.1972 8.5613 10.7317 9.65775 4.48119 numMergedOcc 0
14 mol 260 unq 1 iso 0 dist 8.01717 5.84368 5.7791 10.7317 9.65775 5.32038 numMergedOcc 0
15 mol 267 unq 0 iso 0 dist 9.5358 13.7223 5.08174 6.17852 7.60505 9.7551 numMergedOcc 0
16 mol 272 unq 0 iso 0 dist 9.21411 8.07198 6.95241 7.55915 9.30437 4.61146 numMergedOcc 0
17 mol 284 unq 0 iso 0 dist 9.02411 9.26331 9.69262 14.6691 8.63754 11.0091 numMergedOcc 0
