0 mol 11 unq 0 iso 0 dist 7.85585 11.9421 6.83186 10.1657 3.66215 5.25331 numMergedOcc 0
1 mol 11 unq 1 iso 0 dist 7.92563 11.9204 6.83186 10.3059 3.56133 4.79838 numMergedOcc 0
2 mol 34 unq 0 iso 0 dist 7.39304 10.387 6.38866 6.53847 3.85603 7.05327 numMergedOcc 0
3 mol 34 unq 1 iso 0 dist 7.39304 10.387 6.38866 10.1243 4.42374 9.29284 numMergedOcc 0
4 mol 34 unq 2 iso 0 dist 7.59131 11.891 6.38866 8.55567 3.85603 7.05327 numMergedOcc 0
5 mol 34 unq 3 iso 0 dist 7.59131 11.891 6.38866 10.5012 4.42374 9.29284 numMergedOcc 0
6 mol 113 unq 0 iso 0 dist 8.28997 4.37694 4.49669 7.3662 5.09579 5.45882 numMergedOcc 0
7 mol 113 unq 1 iso 0 dist 8.28997 6.31995 6.00221 7.3662 5.09579 4.57487 numMergedOcc 0
8 mol 113 unq 2 iso 0 dist 8.54311 4.37694 5.88896 7.3662 5.46299 5.45882 numMergedOcc 0
9 mol 113 unq 3 iso 0 dist 7.98399 10.9453 4.49669 10.3657 5.09579 5.45882 numMergedOcc 0
10 mol 113 unq 4 iso 0 dist 7.98399 10.0348 6.00221 10.3657 5.09579 4.57487 numMergedOcc 0
11 mol 151 unq 0 iso 0 dist 8.68828 12.947 9.37533 11.9474 3.72016 9.92657 numMergedOcc 0
12 mol 232 unq 0 iso 0 dist 8.82242 11.7987 9.64861 16.4883 9.20175 8.49913 numMergedOcc 0
13 mol 256 unq 0 iso 0 dist 6.78119 11.0281 5.58222 9.35052 3.89364 5.85613 numMergedOcc 0
14 mol 266 unq 0 iso 0 dist 9.59154 15.6368 6.96692 24.7982 16.2268 9.6721 numMergedOcc 0
15 mol 266 unq 1 iso 0 dist 8.54753 15.6368 8.25286 24.7982 16.7453 9.6721 numMergedOcc 0
16 mol 266 unq 2 iso 0 dist 9.32127 12.9447 9.9965 19.8505 17.4207 9.6721 numMergedOcc 0
17 mol 285 unq 0 iso 0 dist 6.5191 10.9233 5.88958 9.68539 6.01515 6.01404 numMergedOcc 0
18 mol 287 unq 0 iso 0 dist 8.42001 4.0634 4.68668 6.23614 8.99193 5.50067 numMergedOcc 0
19 mol 288 unq 0 iso 0 dist 8.42001 4.0634 4.68668 6.23614 8.99193 5.50067 numMergedOcc 0
20 mol 289 unq 0 iso 0 dist 8.42001 4.0634 4.68668 6.23614 8.99193 5.50067 numMergedOcc 0
