0 mol 20 unq 0 iso 0 dist 4.15066 6.90375 4.99489 7.50142 7.69558 3.99097 numMergedOcc 0
1 mol 20 unq 1 iso 0 dist 4.15066 6.90375 4.99489 6.4074 8.3037 6.40101 numMergedOcc 0
2 mol 113 unq 0 iso 0 dist 9.04398 7.77845 9.89157 5.6738 11.3166 3.85992 numMergedOcc 0
3 mol 114 unq 0 iso 0 dist 5.99873 8.50045 8.32999 5.29259 3.46142 9.35355 numMergedOcc 0
4 mol 114 unq 1 iso 0 dist 5.99873 7.90329 5.28095 5.29259 3.46142 5.27716 numMergedOcc 0
5 mol 114 unq 2 iso 0 dist 5.99873 9.31512 12.7899 5.29259 3.46142 9.94896 numMergedOcc 0
6 mol 134 unq 0 iso 0 dist 8.22824 8.72056 11.5532 7.77458 14.5158 6.99622 numMergedOcc 0
7 mol 147 unq 0 iso 0 dist 8.94007 7.88785 4.30798 6.16995 12.2295 9.06581 numMergedOcc 0
8 mol 176 unq 0 iso 0 dist 6.55106 6.47176 4.20839 8.27087 4.57491 8.51898 numMergedOcc 0
9 mol 176 unq 1 iso 0 dist 8.08891 8.92131 4.20839 7.71329 4.57491 8.51898 numMergedOcc 0
10 mol 197 unq 0 iso 0 dist 8.05227 9.47487 4.40086 8.49016 13.4823 15.7582 numMergedOcc 0
11 mol 243 unq 0 iso 0 dist 6.5095 9.8043 12.428 7.37305 3.75014 12.4265 numMergedOcc 0
12 mol 243 unq 1 iso 0 dist 5.1766 9.8043 7.69259 7.37305 8.85393 12.4265 numMergedOcc 0
13 mol 252 unq 0 iso 0 dist 9.01177 8.16932 7.31906 8.16181 4.28835 4.17197 numMergedOcc 0
14 mol 252 unq 1 iso 0 dist 9.01177 6.94065 12.2338 8.16181 4.28835 9.43565 numMergedOcc 0
15 mol 252 unq 2 iso 0 dist 9.15686 8.16932 13.4808 8.16181 11.8501 4.17197 numMergedOcc 0
16 mol 252 unq 3 iso 0 dist 9.15686 6.94065 4.38445 8.16181 11.8501 9.43565 numMergedOcc 0
17 mol 270 unq 0 iso 0 dist 6.62637 9.94203 12.734 7.7975 6.1174 16.5407 numMergedOcc 0
18 mol 272 unq 0 iso 0 dist 6.20857 6.76991 6.83359 8.02328 3.62419 9.96708 numMergedOcc 0
