0 mol 92 unq 0 iso 0 dist 5.53726 4.43947 8.15236 11.0631 7.31426 12.8459 numMergedOcc 0
1 mol 92 unq 1 iso 0 dist 5.53726 11.8016 8.24447 11.0631 7.31426 6.85455 numMergedOcc 0
2 mol 92 unq 2 iso 0 dist 5.37819 6.68925 6.00131 13.962 8.96747 10.2475 numMergedOcc 0
3 mol 101 unq 0 iso 0 dist 7.22737 9.59696 7.43143 5.08458 7.73086 7.83985 numMergedOcc 0
4 mol 116 unq 0 iso 0 dist 7.67429 4.6158 9.66069 5.57288 7.92221 4.94926 numMergedOcc 0
5 mol 141 unq 0 iso 0 dist 9.28415 7.03121 7.82011 12.541 8.46376 6.76437 numMergedOcc 0
6 mol 147 unq 0 iso 0 dist 9.21476 5.81847 9.6818 7.38323 9.77522 6.80406 numMergedOcc 0
7 mol 165 unq 0 iso 0 dist 9.8446 12.6809 8.4082 9.96973 5.79029 6.84726 numMergedOcc 0
8 mol 171 unq 0 iso 0 dist 6.20851 9.38497 7.13078 4.47323 6.4751 12.1204 numMergedOcc 0
9 mol 171 unq 1 iso 0 dist 6.20851 9.38497 7.13078 4.73373 5.75085 9.67838 numMergedOcc 0
10 mol 173 unq 0 iso 0 dist 6.7407 10.5012 7.33162 5.68427 8.79135 11.8576 numMergedOcc 0
11 mol 204 unq 0 iso 0 dist 8.40718 7.96412 9.01377 15.9432 9.23676 14.3965 numMergedOcc 0
12 mol 217 unq 0 iso 0 dist 8.80103 9.52898 7.89936 10.7793 7.63191 10.6304 numMergedOcc 0
13 mol 226 unq 0 iso 0 dist 7.54614 4.91346 7.45381 5.94294 5.3747 5.70052 numMergedOcc 0
14 mol 266 unq 0 iso 0 dist 9.33791 6.11645 5.45375 12.6676 9.54381 6.99137 numMergedOcc 0
15 mol 266 unq 1 iso 0 dist 9.33791 5.7716 9.9145 12.6676 9.54381 11.2401 numMergedOcc 0
16 mol 273 unq 0 iso 0 dist 9.80002 14.2814 6.59786 15.8648 9.57659 7.87765 numMergedOcc 0
17 mol 273 unq 1 iso 0 dist 9.80002 14.2814 6.59786 11.6682 7.8424 6.45094 numMergedOcc 0
18 mol 273 unq 2 iso 0 dist 9.80002 17.5382 7.96519 15.8648 9.57659 8.14134 numMergedOcc 0
19 mol 273 unq 3 iso 0 dist 9.80002 17.5382 7.96519 11.6682 7.8424 10.826 numMergedOcc 0
20 mol 273 unq 4 iso 0 dist 6.73794 9.11005 6.59786 14.6347 9.57659 7.87765 numMergedOcc 0
21 mol 273 unq 5 iso 0 dist 6.73794 9.11005 6.59786 10.6008 7.8424 6.45094 numMergedOcc 0
22 mol 273 unq 6 iso 0 dist 6.73794 13.7838 7.96519 14.6347 9.57659 8.14134 numMergedOcc 0
23 mol 273 unq 7 iso 0 dist 6.73794 13.7838 7.96519 10.6008 7.8424 10.826 numMergedOcc 0
24 mol 285 unq 0 iso 0 dist 5.76796 5.49583 7.61398 4.39355 6.46935 7.54191 numMergedOcc 0
