0 mol 20 unq 0 iso 0 dist 6.26206 7.5517 3.59314 5.45273 8.72342 8.26091 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 4.90592 9.65174 9.63925 4.21283 7.85986 8.25818 numMergedOcc 0
2 mol 34 unq 0 iso 0 dist 6.15801 9.31883 9.92713 5.9339 9.95093 9.48125 numMergedOcc 0
3 mol 34 unq 1 iso 0 dist 6.15801 6.29842 6.35031 4.06864 8.0991 6.38866 numMergedOcc 0
4 mol 34 unq 2 iso 0 dist 9.63403 6.29842 5.50427 4.06864 8.80175 6.38866 numMergedOcc 0
5 mol 48 unq 0 iso 0 dist 7.59316 6.84514 3.50984 5.15398 6.28603 5.54472 numMergedOcc 0
6 mol 48 unq 1 iso 0 dist 7.59316 6.84514 3.50984 8.66294 8.80303 8.62369 numMergedOcc 0
7 mol 48 unq 2 iso 0 dist 7.59316 6.84514 3.50984 12.5266 7.11491 6.5241 numMergedOcc 0
8 mol 48 unq 3 iso 0 dist 7.51285 7.05619 3.65036 5.15603 5.73454 5.37439 numMergedOcc 0
9 mol 48 unq 4 iso 0 dist 7.51285 7.05619 3.65036 8.37489 8.2012 8.3714 numMergedOcc 0
10 mol 48 unq 5 iso 0 dist 7.51285 7.05619 3.65036 12.6408 7.1829 6.36817 numMergedOcc 0
11 mol 92 unq 0 iso 0 dist 8.57827 7.87729 4.15826 5.19513 9.22418 8.55237 numMergedOcc 0
12 mol 131 unq 0 iso 0 dist 5.39061 4.48699 4.94367 4.9293 7.84546 7.53342 numMergedOcc 0
13 mol 141 unq 0 iso 0 dist 9.78667 8.88454 3.80087 11.2139 4.92382 4.88514 numMergedOcc 0
14 mol 141 unq 1 iso 0 dist 8.47026 9.48581 3.80087 10.7006 4.92382 4.88514 numMergedOcc 0
15 mol 143 unq 0 iso 0 dist 6.95372 5.66207 4.5497 5.42311 7.2932 4.3855 numMergedOcc 0
16 mol 194 unq 0 iso 0 dist 6.37788 5.13892 3.7326 8.68259 8.43182 5.10542 numMergedOcc 0
17 mol 194 unq 1 iso 0 dist 6.37788 5.78717 7.29209 8.68259 8.43182 4.68722 numMergedOcc 0
18 mol 194 unq 2 iso 0 dist 8.7028 8.2232 3.7326 9.38176 8.43182 5.10542 numMergedOcc 0
19 mol 253 unq 0 iso 0 dist 8.15091 6.3738 5.68255 4.30218 9.73723 8.66299 numMergedOcc 0
20 mol 260 unq 0 iso 0 dist 7.99521 4.64695 7.28821 5.42399 6.49413 8.62655 numMergedOcc 0
