0 mol 90 unq 0 iso 0 dist 9.93577 6.17315 11.4628 12.4268 16.669 7.54496 numMergedOcc 0
1 mol 90 unq 1 iso 0 dist 7.38568 7.63894 8.09188 8.43244 10.5402 7.54496 numMergedOcc 0
2 mol 90 unq 2 iso 0 dist 8.6767 6.17315 8.09188 12.4268 10.5402 7.54496 numMergedOcc 0
3 mol 93 unq 0 iso 0 dist 5.27541 7.46327 3.74136 4.55399 5.77804 7.85041 numMergedOcc 0
4 mol 111 unq 0 iso 0 dist 5.68841 8.28541 9.30538 4.10604 9.02541 9.41723 numMergedOcc 0
5 mol 111 unq 1 iso 0 dist 5.68841 5.61533 8.169 9.19878 14.3589 7.92876 numMergedOcc 0
6 mol 120 unq 0 iso 0 dist 9.61273 7.03509 5.73872 6.68425 14.7366 9.9016 numMergedOcc 0
7 mol 178 unq 0 iso 0 dist 7.55683 8.56251 6.72936 6.03496 8.71031 5.98771 numMergedOcc 0
8 mol 182 unq 0 iso 0 dist 7.37431 6.78113 6.38456 9.50216 6.76894 8.89822 numMergedOcc 0
9 mol 186 unq 0 iso 0 dist 5.52744 9.67802 7.74227 10.3571 10.8278 7.94153 numMergedOcc 0
10 mol 186 unq 1 iso 0 dist 6.23859 9.18314 10.2999 10.5919 13.7985 7.94153 numMergedOcc 0
11 mol 204 unq 0 iso 0 dist 9.06541 7.44979 6.7132 9.30421 14.7148 8.50907 numMergedOcc 0
12 mol 238 unq 0 iso 0 dist 8.39627 9.08573 8.22473 13.6191 6.59305 8.6597 numMergedOcc 0
13 mol 238 unq 1 iso 0 dist 8.39627 9.08573 8.22473 15.696 10.6202 7.47235 numMergedOcc 0
14 mol 238 unq 2 iso 0 dist 8.39627 9.08573 8.22473 10.0858 9.63117 6.44735 numMergedOcc 0
15 mol 238 unq 3 iso 0 dist 8.39627 9.08573 8.22473 6.29509 10.5952 5.91208 numMergedOcc 0
16 mol 239 unq 0 iso 0 dist 9.64578 5.6619 6.92708 7.2107 7.34653 5.45844 numMergedOcc 0
17 mol 239 unq 1 iso 0 dist 7.02833 5.6619 5.1292 7.2107 10.0317 5.45844 numMergedOcc 0
