0 mol 42 unq 0 iso 0 dist 6.30589 9.50568 11.5212 10.2834 14.498 5.52834 numMergedOcc 0
1 mol 87 unq 0 iso 0 dist 5.92576 9.99609 7.87504 12.809 15.1492 9.90256 numMergedOcc 0
2 mol 87 unq 1 iso 0 dist 5.92576 9.99609 7.87504 8.37496 10.3974 7.57471 numMergedOcc 0
3 mol 87 unq 2 iso 0 dist 8.70472 4.58684 9.6714 5.79354 12.1937 6.22441 numMergedOcc 0
4 mol 87 unq 3 iso 0 dist 8.70472 6.90348 8.07709 5.79354 12.1937 5.91543 numMergedOcc 0
5 mol 131 unq 0 iso 0 dist 8.95717 8.98949 10.4812 12.1136 15.5261 6.08846 numMergedOcc 0
6 mol 131 unq 1 iso 0 dist 8.95717 8.98949 10.4812 15.0398 14.2714 9.19171 numMergedOcc 0
7 mol 132 unq 0 iso 0 dist 7.14447 8.58873 8.91031 8.84157 7.73306 6.94745 numMergedOcc 0
8 mol 133 unq 0 iso 0 dist 9.89671 9.13917 5.25819 4.61198 7.4963 8.8353 numMergedOcc 0
9 mol 198 unq 0 iso 0 dist 6.57198 9.83891 10.2379 13.6481 16.922 7.86075 numMergedOcc 0
10 mol 220 unq 0 iso 0 dist 5.2376 9.92349 7.38726 11.12 10.3789 5.25149 numMergedOcc 0
11 mol 220 unq 1 iso 0 dist 5.2376 9.70779 10.0087 11.12 10.3789 8.6368 numMergedOcc 0
12 mol 226 unq 0 iso 0 dist 7.6174 9.82101 12.0828 9.17371 10.1937 8.52996 numMergedOcc 0
13 mol 239 unq 0 iso 0 dist 7.19924 6.55222 6.18958 13.0572 14.8954 8.86185 numMergedOcc 0
14 mol 272 unq 0 iso 0 dist 8.89938 8.56255 6.70161 13.1454 13.312 6.69245 numMergedOcc 0
15 mol 272 unq 1 iso 0 dist 8.89938 8.56255 6.70161 13.7982 13.7043 7.90763 numMergedOcc 0
16 mol 276 unq 0 iso 0 dist 5.71066 7.86619 7.75603 4.13053 9.15041 7.60807 numMergedOcc 0
17 mol 279 unq 0 iso 0 dist 9.71938 8.12646 4.27883 4.91933 7.63133 7.83793 numMergedOcc 0
18 mol 293 unq 0 iso 0 dist 6.02106 8.84911 5.48105 11.1018 12.5645 9.65156 numMergedOcc 0
19 mol 293 unq 1 iso 0 dist 8.27274 8.84911 4.88851 11.1018 9.15753 9.65156 numMergedOcc 0
