0 mol 91 unq 0 iso 0 dist 9.60916 8.57379 8.94991 6.22691 5.51406 5.85411 numMergedOcc 0
1 mol 91 unq 1 iso 0 dist 9.44798 15.9821 8.94991 10.7783 5.51406 5.85411 numMergedOcc 0
2 mol 98 unq 0 iso 0 dist 6.17173 8.77467 8.49806 5.91879 8.41411 6.1745 numMergedOcc 0
3 mol 113 unq 0 iso 0 dist 7.92498 4.28385 6.28645 5.60987 5.37302 5.95402 numMergedOcc 0
4 mol 133 unq 0 iso 0 dist 6.26722 9.59447 6.34149 5.5502 5.56565 5.30646 numMergedOcc 0
5 mol 133 unq 1 iso 0 dist 6.26722 9.59447 6.34149 5.05981 6.16862 5.87062 numMergedOcc 0
6 mol 133 unq 2 iso 0 dist 8.78 12.9102 6.34149 9.91819 5.56565 5.30646 numMergedOcc 0
7 mol 133 unq 3 iso 0 dist 8.78 12.9102 6.34149 13.1776 6.16862 5.87062 numMergedOcc 0
8 mol 141 unq 0 iso 0 dist 8.47476 5.41269 6.4822 14.894 7.6793 13.8705 numMergedOcc 0
9 mol 169 unq 0 iso 0 dist 8.11268 4.40805 6.57161 5.50901 5.51388 6.08318 numMergedOcc 0
10 mol 171 unq 0 iso 0 dist 9.53702 12.999 7.7195 7.55807 6.80086 5.70195 numMergedOcc 0
11 mol 171 unq 1 iso 0 dist 9.53702 15.5015 8.30819 7.55807 6.80086 9.77016 numMergedOcc 0
12 mol 180 unq 0 iso 0 dist 8.6207 5.32285 8.65601 6.45407 9.54753 8.77427 numMergedOcc 0
13 mol 180 unq 1 iso 0 dist 8.6207 5.32285 8.65601 7.17938 8.79411 11.7122 numMergedOcc 0
14 mol 180 unq 2 iso 0 dist 8.6207 9.1825 6.33325 6.45407 9.54753 5.74154 numMergedOcc 0
15 mol 180 unq 3 iso 0 dist 8.6207 9.1825 6.33325 7.17938 8.79411 7.08508 numMergedOcc 0
16 mol 260 unq 0 iso 0 dist 7.46 4.12383 4.76689 8.565 5.68717 4.48112 numMergedOcc 0
17 mol 260 unq 1 iso 0 dist 7.46 11.9912 8.79012 8.565 5.68717 5.72956 numMergedOcc 0
18 mol 292 unq 0 iso 0 dist 8.99187 14.1982 6.84909 6.65048 6.68863 10.6051 numMergedOcc 0
