0 mol 12 unq 0 iso 0 dist 4.85969 6.16894 4.62913 4.46781 7.8865 6.98179 numMergedOcc 0
1 mol 12 unq 1 iso 0 dist 4.85969 5.93993 7.44542 4.46781 7.8865 6.9065 numMergedOcc 0
2 mol 38 unq 0 iso 0 dist 8.19347 9.25469 7.96306 5.73028 5.73067 7.46414 numMergedOcc 0
3 mol 69 unq 0 iso 0 dist 9.40266 5.79276 7.21809 5.46829 8.91902 9.27886 numMergedOcc 0
4 mol 69 unq 1 iso 0 dist 9.34288 11.8367 5.69055 5.36659 5.47319 7.76775 numMergedOcc 0
5 mol 69 unq 2 iso 0 dist 9.34288 11.8367 5.69055 5.6966 9.8809 13.1847 numMergedOcc 0
6 mol 76 unq 0 iso 0 dist 7.98824 5.09183 7.25561 10.5571 9.71952 13.0619 numMergedOcc 0
7 mol 76 unq 1 iso 0 dist 9.42329 5.09183 8.97499 10.5571 7.28257 13.0619 numMergedOcc 0
8 mol 86 unq 0 iso 0 dist 6.17345 6.55202 8.32885 7.09012 8.88225 6.51657 numMergedOcc 0
9 mol 95 unq 0 iso 0 dist 6.82522 6.35259 9.02302 7.94986 8.69069 5.76815 numMergedOcc 0
10 mol 95 unq 1 iso 0 dist 6.82522 6.35259 9.02302 14.1188 9.65047 13.209 numMergedOcc 0
11 mol 95 unq 2 iso 0 dist 9.89353 11.7257 9.02302 10.538 8.69069 5.76815 numMergedOcc 0
12 mol 95 unq 3 iso 0 dist 9.89353 11.7257 9.02302 9.70895 9.65047 13.209 numMergedOcc 0
13 mol 103 unq 0 iso 0 dist 4.9418 5.9722 6.36357 5.88774 4.99966 5.54757 numMergedOcc 0
14 mol 154 unq 0 iso 0 dist 5.67586 9.08046 7.63904 4.97206 7.26897 6.03387 numMergedOcc 0
15 mol 187 unq 0 iso 0 dist 9.70054 13.2691 5.82577 13.9 9.36086 4.98423 numMergedOcc 0
16 mol 220 unq 0 iso 0 dist 4.17978 6.21026 8.65468 4.8419 7.16386 9.18673 numMergedOcc 0
17 mol 227 unq 0 iso 0 dist 9.69335 6.5366 9.87685 14.0644 9.07872 17.4802 numMergedOcc 0
18 mol 227 unq 1 iso 0 dist 5.36841 7.42961 9.87685 14.4432 9.07872 17.4802 numMergedOcc 0
19 mol 229 unq 0 iso 0 dist 4.38586 8.28178 5.75755 6.81165 8.6537 12.696 numMergedOcc 0
20 mol 229 unq 1 iso 0 dist 4.38586 8.28178 5.75755 5.33253 8.75374 11.2019 numMergedOcc 0
21 mol 229 unq 2 iso 0 dist 4.38586 8.28178 5.75755 5.23042 7.10634 6.73193 numMergedOcc 0
22 mol 229 unq 3 iso 0 dist 4.38586 8.28178 5.75755 6.21905 5.57702 6.44004 numMergedOcc 0
23 mol 229 unq 4 iso 0 dist 9.40399 5.08121 5.75755 13.4159 8.6537 12.696 numMergedOcc 0
24 mol 229 unq 5 iso 0 dist 9.40399 5.08121 5.75755 10.5998 8.75374 11.2019 numMergedOcc 0
25 mol 229 unq 6 iso 0 dist 9.40399 5.08121 5.75755 6.51215 7.10634 6.73193 numMergedOcc 0
26 mol 229 unq 7 iso 0 dist 9.40399 5.08121 5.75755 6.91804 5.57702 6.44004 numMergedOcc 0
27 mol 234 unq 0 iso 0 dist 5.65943 6.31042 9.24066 5.28657 7.46434 7.87385 numMergedOcc 0
28 mol 271 unq 0 iso 0 dist 9.27556 14.1222 9.80493 6.00331 9.56149 9.63302 numMergedOcc 0
29 mol 271 unq 1 iso 0 dist 9.27556 10.9694 6.75395 6.00331 9.56149 7.30308 numMergedOcc 0
