0 mol 9 unq 0 iso 0 dist 9.80484 7.51034 6.6347 12.7732 12.1434 9.3523 numMergedOcc 0
1 mol 19 unq 0 iso 0 dist 7.14945 6.73409 7.42956 10.0338 3.86173 7.46208 numMergedOcc 0
2 mol 19 unq 1 iso 0 dist 6.50337 11.3811 7.42956 10.3056 3.86173 7.46208 numMergedOcc 0
3 mol 24 unq 0 iso 0 dist 6.07553 5.97304 5.47982 12.9284 9.921 9.69752 numMergedOcc 0
4 mol 24 unq 1 iso 0 dist 6.07553 5.97304 5.47982 8.60554 11.3314 9.36461 numMergedOcc 0
5 mol 24 unq 2 iso 0 dist 8.80127 4.33963 4.87192 8.4051 3.4435 4.90592 numMergedOcc 0
6 mol 24 unq 3 iso 0 dist 8.80127 4.33963 4.87192 8.75662 7.63657 8.16324 numMergedOcc 0
7 mol 24 unq 4 iso 0 dist 6.48457 11.2106 4.87192 8.60554 3.4435 4.90592 numMergedOcc 0
8 mol 24 unq 5 iso 0 dist 6.48457 11.2106 4.87192 9.44691 7.63657 8.16324 numMergedOcc 0
9 mol 68 unq 0 iso 0 dist 9.18809 8.53692 5.44028 14.5577 7.25845 6.40693 numMergedOcc 0
10 mol 85 unq 0 iso 0 dist 8.77199 6.37974 6.00564 9.82915 4.58085 8.70863 numMergedOcc 0
11 mol 85 unq 1 iso 0 dist 8.81824 5.08358 6.00564 12.0078 4.58085 8.70863 numMergedOcc 0
12 mol 135 unq 0 iso 0 dist 9.8248 6.12214 9.54038 14.8741 15.7885 8.83856 numMergedOcc 0
13 mol 162 unq 0 iso 0 dist 9.48488 5.45934 6.00293 12.1627 8.06906 7.14263 numMergedOcc 0
14 mol 162 unq 1 iso 0 dist 9.48488 5.45934 6.00293 12.7467 6.76865 8.57005 numMergedOcc 0
15 mol 163 unq 0 iso 0 dist 9.26162 3.89889 7.38157 9.69121 9.15824 7.8639 numMergedOcc 0
16 mol 175 unq 0 iso 0 dist 6.62757 4.24624 6.59925 10.7017 11.3868 8.05247 numMergedOcc 0
17 mol 175 unq 1 iso 0 dist 6.62757 4.24624 6.59925 9.39352 11.3992 9.71028 numMergedOcc 0
18 mol 205 unq 0 iso 0 dist 7.23959 5.54129 5.96238 9.53629 3.5693 5.95375 numMergedOcc 0
19 mol 205 unq 1 iso 0 dist 7.23959 5.28092 7.85966 9.53629 3.5693 9.17946 numMergedOcc 0
20 mol 252 unq 0 iso 0 dist 6.38733 5.25252 8.62955 11.0831 9.96528 7.39391 numMergedOcc 0
