0 mol 30 unq 0 iso 0 dist 9.28932 6.01658 6.07517 12.6725 4.43881 7.6477 numMergedOcc 0
1 mol 30 unq 1 iso 0 dist 7.53042 8.34136 6.07517 8.18794 4.43881 7.6477 numMergedOcc 0
2 mol 30 unq 2 iso 0 dist 6.83481 6.01658 6.74179 12.6725 9.17153 7.6477 numMergedOcc 0
3 mol 43 unq 0 iso 0 dist 9.17086 4.9903 6.6263 7.62469 5.39546 8.21247 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 8.124 15.2252 7.4369 9.63452 6.33833 9.79061 numMergedOcc 0
5 mol 76 unq 0 iso 0 dist 8.41567 6.65453 6.72869 11.0609 4.80624 9.73179 numMergedOcc 0
6 mol 76 unq 1 iso 0 dist 5.56964 6.65453 9.85905 11.0609 14.1154 9.73179 numMergedOcc 0
7 mol 76 unq 2 iso 0 dist 6.62246 7.15288 6.72869 5.37449 4.80624 9.73179 numMergedOcc 0
8 mol 114 unq 0 iso 0 dist 9.62866 6.76872 5.7144 13.9107 5.0333 8.40389 numMergedOcc 0
9 mol 181 unq 0 iso 0 dist 9.18245 5.68795 5.05973 11.0257 4.62576 5.97971 numMergedOcc 0
10 mol 181 unq 1 iso 0 dist 9.18245 5.68795 5.05973 13.7517 4.80932 8.72747 numMergedOcc 0
11 mol 181 unq 2 iso 0 dist 9.18245 5.68795 5.05973 13.8361 6.42223 8.23845 numMergedOcc 0
12 mol 218 unq 0 iso 0 dist 4.851 6.13691 6.67404 9.13014 4.68974 9.65132 numMergedOcc 0
13 mol 238 unq 0 iso 0 dist 7.64276 4.48114 9.12776 7.75366 10.313 5.52788 numMergedOcc 0
14 mol 239 unq 0 iso 0 dist 6.83046 8.15025 6.73665 16.3204 13.3838 9.993 numMergedOcc 0
15 mol 279 unq 0 iso 0 dist 8.68797 5.03816 6.35028 11.6898 4.51031 8.34313 numMergedOcc 0
