0 mol 53 unq 0 iso 0 dist 7.6912 6.78966 3.52799 6.81867 5.56387 5.21227 numMergedOcc 0
1 mol 62 unq 0 iso 0 dist 4.85282 6.93243 3.54604 6.02731 7.46975 10.029 numMergedOcc 0
2 mol 68 unq 0 iso 0 dist 8.25884 5.58724 11.0834 8.59945 10.0241 5.2359 numMergedOcc 0
3 mol 73 unq 0 iso 0 dist 7.19959 4.82824 4.77769 6.16338 6.1209 3.69039 numMergedOcc 0
4 mol 75 unq 0 iso 0 dist 8.4689 7.58398 9.3123 8.73268 6.71593 3.67112 numMergedOcc 0
5 mol 79 unq 0 iso 0 dist 7.18358 7.52639 9.09552 7.54919 4.22631 8.86585 numMergedOcc 0
6 mol 113 unq 0 iso 0 dist 9.04398 5.6738 11.3166 5.7085 9.59657 8.69658 numMergedOcc 0
7 mol 147 unq 0 iso 0 dist 8.94007 6.16995 12.2295 5.53183 7.38323 6.67922 numMergedOcc 0
8 mol 171 unq 0 iso 0 dist 8.30819 6.07578 12.3288 6.08141 4.98945 7.86006 numMergedOcc 0
9 mol 196 unq 0 iso 0 dist 8.09572 6.23804 8.23098 4.83135 10.2655 3.68546 numMergedOcc 0
10 mol 196 unq 1 iso 0 dist 8.09572 6.66019 7.24985 4.83135 10.2655 6.56216 numMergedOcc 0
11 mol 196 unq 2 iso 0 dist 8.09572 9.88671 15.4354 4.83135 10.2655 7.25762 numMergedOcc 0
12 mol 232 unq 0 iso 0 dist 8.15743 7.68603 4.30202 8.70651 6.36084 6.25229 numMergedOcc 0
13 mol 243 unq 0 iso 0 dist 6.5095 7.37305 3.75014 7.24253 10.2558 11.588 numMergedOcc 0
14 mol 243 unq 1 iso 0 dist 6.5095 7.37305 3.75014 7.83742 7.31632 8.7552 numMergedOcc 0
15 mol 243 unq 2 iso 0 dist 5.1766 7.37305 8.85393 7.24253 3.87679 11.588 numMergedOcc 0
16 mol 243 unq 3 iso 0 dist 5.1766 7.37305 8.85393 7.83742 10.9686 8.7552 numMergedOcc 0
17 mol 251 unq 0 iso 0 dist 5.34851 4.63025 3.43331 7.52286 4.01393 7.33882 numMergedOcc 0
18 mol 272 unq 0 iso 0 dist 6.20857 8.02328 3.62419 9.88921 14.5298 17.4298 numMergedOcc 0
