0 mol 69 unq 0 iso 0 dist 9.16791 9.91575 8.44753 9.38571 7.3232 8.09271 numMergedOcc 0
1 mol 86 unq 0 iso 0 dist 8.45341 9.68657 8.4254 13.4657 11.1987 8.8236 numMergedOcc 0
2 mol 114 unq 0 iso 0 dist 6.79014 9.85586 9.15982 17.093 14.849 7.35639 numMergedOcc 0
3 mol 124 unq 0 iso 0 dist 8.55572 9.01736 6.31232 13.8344 6.14262 7.3864 numMergedOcc 0
4 mol 124 unq 1 iso 0 dist 9.67527 7.61966 6.79597 14.2493 9.59067 7.18643 numMergedOcc 0
5 mol 124 unq 2 iso 0 dist 9.67527 5.73937 7.17224 12.6194 8.25721 7.3864 numMergedOcc 0
6 mol 126 unq 0 iso 0 dist 9.40595 12.7248 7.80819 17.8864 11.2933 9.7504 numMergedOcc 0
7 mol 131 unq 0 iso 0 dist 5.33659 6.53332 6.53758 9.43494 5.77183 7.77243 numMergedOcc 0
8 mol 148 unq 0 iso 0 dist 6.4413 8.90222 5.86949 16.6839 11.7686 8.91834 numMergedOcc 0
9 mol 150 unq 0 iso 0 dist 6.62609 8.93873 5.84971 16.7087 11.6581 8.84061 numMergedOcc 0
10 mol 226 unq 0 iso 0 dist 6.3687 7.95454 7.6174 9.45587 12.0828 9.82101 numMergedOcc 0
11 mol 238 unq 0 iso 0 dist 7.4491 5.22097 7.00773 8.86909 4.91848 6.9659 numMergedOcc 0
12 mol 247 unq 0 iso 0 dist 8.98313 13.245 6.56182 19.2381 10.3845 8.0367 numMergedOcc 0
13 mol 260 unq 0 iso 0 dist 7.95918 9.01244 9.94532 10.9875 5.7487 7.68243 numMergedOcc 0
