0 mol 54 unq 0 iso 0 dist 6.72872 6.6367 6.91496 5.95619 10.9482 7.62814 numMergedOcc 0
1 mol 64 unq 0 iso 0 dist 9.56181 8.85601 7.05257 10.0706 11.8671 9.05343 numMergedOcc 0
2 mol 64 unq 1 iso 0 dist 9.56181 8.85601 7.05257 5.05714 10.9973 7.71528 numMergedOcc 0
3 mol 69 unq 0 iso 0 dist 8.27307 5.38363 8.67853 4.18064 11.7488 9.13024 numMergedOcc 0
4 mol 69 unq 1 iso 0 dist 6.92837 5.38363 10.8149 4.18064 7.62791 9.13024 numMergedOcc 0
5 mol 72 unq 0 iso 0 dist 9.43143 9.85325 4.7874 8.83086 6.68311 5.19407 numMergedOcc 0
6 mol 102 unq 0 iso 0 dist 8.84131 9.00369 3.48119 8.38008 9.84673 9.5434 numMergedOcc 0
7 mol 111 unq 0 iso 0 dist 6.34542 9.83758 6.34994 5.3644 9.04546 8.69371 numMergedOcc 0
8 mol 124 unq 0 iso 0 dist 6.71293 6.67979 9.79481 5.87352 6.35314 9.66083 numMergedOcc 0
9 mol 172 unq 0 iso 0 dist 7.63635 9.66616 7.48009 8.65462 12.1277 7.3485 numMergedOcc 0
10 mol 172 unq 1 iso 0 dist 9.94649 9.66616 4.52195 8.65462 5.5139 7.3485 numMergedOcc 0
11 mol 186 unq 0 iso 0 dist 9.52413 8.86574 4.04122 4.95637 10.0278 7.62945 numMergedOcc 0
12 mol 241 unq 0 iso 0 dist 6.90245 7.65636 4.07839 4.51587 10.4415 9.87415 numMergedOcc 0
13 mol 265 unq 0 iso 0 dist 8.49415 9.40917 5.94366 12.9437 5.3051 8.57848 numMergedOcc 0
14 mol 285 unq 0 iso 0 dist 6.44657 5.93983 8.33646 14.0493 13.4993 8.38399 numMergedOcc 0
