0 mol 6 unq 0 iso 0 dist 9.90644 8.41625 11.3767 5.21568 8.56876 9.6768 numMergedOcc 0
1 mol 6 unq 1 iso 0 dist 9.90644 9.26453 7.55017 5.21568 8.56876 11.6969 numMergedOcc 0
2 mol 14 unq 0 iso 0 dist 6.62231 9.31993 7.52967 9.79416 9.36795 10.047 numMergedOcc 0
3 mol 14 unq 1 iso 0 dist 6.62231 6.3453 6.58303 9.79416 9.36795 14.418 numMergedOcc 0
4 mol 14 unq 2 iso 0 dist 8.62289 7.98958 6.58303 13.1433 9.36795 14.418 numMergedOcc 0
5 mol 21 unq 0 iso 0 dist 8.97549 5.27589 6.91363 10.0167 9.63863 8.07914 numMergedOcc 0
6 mol 134 unq 0 iso 0 dist 8.33187 6.7402 7.04877 15.0514 9.66592 12.5359 numMergedOcc 0
7 mol 186 unq 0 iso 0 dist 9.51502 9.35708 9.33176 12.3139 8.40335 9.2254 numMergedOcc 0
8 mol 186 unq 1 iso 0 dist 9.51502 8.40313 11.4788 12.3139 8.40335 14.4113 numMergedOcc 0
9 mol 189 unq 0 iso 0 dist 7.35054 9.36549 5.92167 5.42089 8.49075 6.77641 numMergedOcc 0
10 mol 189 unq 1 iso 0 dist 7.35054 6.77351 6.65176 5.42089 8.49075 10.7595 numMergedOcc 0
11 mol 189 unq 2 iso 0 dist 8.77488 8.4676 6.65176 12.4674 8.49075 10.7595 numMergedOcc 0
12 mol 206 unq 0 iso 0 dist 9.89665 9.0815 14.7173 16.3143 7.95458 20.6887 numMergedOcc 0
13 mol 217 unq 0 iso 0 dist 9.28036 7.70005 10.9468 5.35277 9.91392 12.5623 numMergedOcc 0
14 mol 225 unq 0 iso 0 dist 9.32657 8.33143 16.8211 7.74913 8.46442 11.1011 numMergedOcc 0
15 mol 226 unq 0 iso 0 dist 5.28576 8.64849 4.04412 9.4366 9.45587 8.52996 numMergedOcc 0
16 mol 226 unq 1 iso 0 dist 5.28576 6.3687 4.09525 4.52889 8.90583 8.74399 numMergedOcc 0
17 mol 239 unq 0 iso 0 dist 6.00139 8.49961 5.55077 4.37448 9.57192 10.7912 numMergedOcc 0
18 mol 245 unq 0 iso 0 dist 9.49329 8.03294 13.4565 8.2332 9.93922 9.96585 numMergedOcc 0
19 mol 245 unq 1 iso 0 dist 9.49329 6.18575 8.61453 8.2332 9.93922 10.9892 numMergedOcc 0
20 mol 257 unq 0 iso 0 dist 9.80634 9.94785 3.66549 5.25261 6.11188 8.09912 numMergedOcc 0
