0 mol 32 unq 0 iso 0 dist 8.72278 5.05941 4.09276 12.3391 5.47588 8.67141 numMergedOcc 0
1 mol 44 unq 0 iso 0 dist 9.78525 5.01912 6.30541 8.60575 4.68435 6.11574 numMergedOcc 0
2 mol 88 unq 0 iso 0 dist 9.79535 11.3237 6.26491 13.6756 5.26236 9.40061 numMergedOcc 0
3 mol 88 unq 1 iso 0 dist 7.33521 5.35193 5.4421 9.05693 4.73269 8.10769 numMergedOcc 0
4 mol 98 unq 0 iso 0 dist 4.3761 6.41542 8.04448 7.40481 6.38409 4.3521 numMergedOcc 0
5 mol 98 unq 1 iso 0 dist 6.14782 10.5613 8.18252 19.133 17.3577 9.20236 numMergedOcc 0
6 mol 98 unq 2 iso 0 dist 8.49806 10.5613 7.55531 19.133 15.2873 9.20236 numMergedOcc 0
7 mol 99 unq 0 iso 0 dist 5.64099 5.91888 7.09617 13.9927 14.3576 9.39801 numMergedOcc 0
8 mol 99 unq 1 iso 0 dist 5.64099 5.91888 7.09617 7.55765 4.95662 4.82346 numMergedOcc 0
9 mol 99 unq 2 iso 0 dist 5.64099 5.91888 7.09617 10.2915 6.88843 8.89165 numMergedOcc 0
10 mol 110 unq 0 iso 0 dist 7.25891 6.0128 6.34794 6.5332 4.37836 9.00302 numMergedOcc 0
11 mol 173 unq 0 iso 0 dist 8.85548 6.09753 4.93595 13.8283 5.64974 8.44321 numMergedOcc 0
12 mol 180 unq 0 iso 0 dist 8.65601 13.9919 9.26812 22.7481 18.158 9.68557 numMergedOcc 0
13 mol 180 unq 1 iso 0 dist 6.33325 3.72291 9.26812 13.4022 18.158 9.68557 numMergedOcc 0
14 mol 209 unq 0 iso 0 dist 9.53923 6.61665 9.39076 13.0221 8.27556 8.78565 numMergedOcc 0
15 mol 229 unq 0 iso 0 dist 8.17234 15.8841 9.33775 20.0802 11.9181 9.42877 numMergedOcc 0
16 mol 241 unq 0 iso 0 dist 9.68842 3.96997 9.69499 10.7462 7.36342 7.91178 numMergedOcc 0
17 mol 241 unq 1 iso 0 dist 9.23127 3.96997 7.44279 10.7462 3.97384 7.91178 numMergedOcc 0
18 mol 272 unq 0 iso 0 dist 6.20857 8.75845 6.38555 8.38819 4.35986 5.34803 numMergedOcc 0
19 mol 277 unq 0 iso 0 dist 6.92426 4.09948 8.12461 5.37738 8.61682 7.25282 numMergedOcc 0
20 mol 277 unq 1 iso 0 dist 5.83023 4.09948 9.027 5.37738 4.80425 7.25282 numMergedOcc 0
