0 mol 17 unq 0 iso 0 dist 8.25257 9.16696 9.35967 8.37422 4.64234 10.1102 numMergedOcc 0
1 mol 17 unq 1 iso 0 dist 8.25257 9.16696 9.35967 5.99723 6.26254 9.53966 numMergedOcc 0
2 mol 18 unq 0 iso 0 dist 6.45965 7.81434 4.70023 6.54236 8.02671 5.70763 numMergedOcc 0
3 mol 18 unq 1 iso 0 dist 6.45965 7.81434 4.70023 4.86477 6.09533 5.79003 numMergedOcc 0
4 mol 78 unq 0 iso 0 dist 9.00045 16.177 8.13368 16.7918 8.03895 7.4829 numMergedOcc 0
5 mol 78 unq 1 iso 0 dist 9.00045 16.177 8.13368 14.0325 5.68873 8.47947 numMergedOcc 0
6 mol 98 unq 0 iso 0 dist 6.17173 8.77467 8.49806 4.77009 8.73928 5.90092 numMergedOcc 0
7 mol 113 unq 0 iso 0 dist 7.92498 4.28385 6.28645 7.50896 7.08403 6.39939 numMergedOcc 0
8 mol 169 unq 0 iso 0 dist 8.11268 4.40805 6.57161 7.64279 7.33643 6.55092 numMergedOcc 0
9 mol 171 unq 0 iso 0 dist 9.53702 12.999 7.7195 9.6035 7.06555 4.71092 numMergedOcc 0
10 mol 171 unq 1 iso 0 dist 9.53702 15.5015 8.30819 9.6035 7.06555 10.7165 numMergedOcc 0
11 mol 180 unq 0 iso 0 dist 8.6207 5.32285 8.65601 9.32604 6.91244 12.6752 numMergedOcc 0
12 mol 180 unq 1 iso 0 dist 8.6207 9.1825 6.33325 9.32604 6.91244 5.92014 numMergedOcc 0
13 mol 186 unq 0 iso 0 dist 6.22466 8.50695 5.39622 9.09753 6.99587 6.14958 numMergedOcc 0
14 mol 186 unq 1 iso 0 dist 6.22466 8.50695 5.39622 6.7472 4.37577 5.87342 numMergedOcc 0
15 mol 192 unq 0 iso 0 dist 6.88947 11.943 7.83389 5.81179 5.05414 9.84703 numMergedOcc 0
16 mol 192 unq 1 iso 0 dist 6.88947 11.943 7.83389 3.26277 7.16964 10.1702 numMergedOcc 0
17 mol 204 unq 0 iso 0 dist 6.32064 11.6765 9.70166 5.38864 8.49554 8.02399 numMergedOcc 0
18 mol 260 unq 0 iso 0 dist 7.46 4.12383 4.76689 8.71923 7.88108 5.30931 numMergedOcc 0
19 mol 260 unq 1 iso 0 dist 7.46 4.12383 4.76689 9.96926 9.46576 7.91474 numMergedOcc 0
20 mol 260 unq 2 iso 0 dist 7.46 11.9912 8.79012 8.71923 7.88108 8.90225 numMergedOcc 0
21 mol 260 unq 3 iso 0 dist 7.46 11.9912 8.79012 9.96926 9.46576 4.38276 numMergedOcc 0
