0 mol 16 unq 0 iso 0 dist 6.36377 6.55076 8.33883 13.8231 11.958 8.46837 10.1011 10.9143 6.43294 6.84569 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 8.38387 7.67926 9.74445 11.0563 5.90113 7.53564 11.0096 8.80331 10.323 9.17086 numMergedOcc 0
2 mol 54 unq 0 iso 0 dist 5.97635 4.94741 5.59773 8.34361 5.65405 6.10175 13.2619 8.10861 10.1356 6.54183 numMergedOcc 0
3 mol 117 unq 0 iso 0 dist 6.90827 13.2842 9.85576 11.6509 5.21051 8.30003 10.4485 7.90328 10.4589 7.0318 numMergedOcc 0
4 mol 117 unq 1 iso 0 dist 8.90977 12.0106 9.85576 13.1924 5.21051 8.30003 13.8755 7.90328 10.4589 7.0318 numMergedOcc 0
5 mol 126 unq 0 iso 0 dist 8.32241 9.63225 9.54928 10.6754 5.50061 9.40608 4.84035 6.06638 7.01529 6.24392 numMergedOcc 0
6 mol 152 unq 0 iso 0 dist 8.07256 8.50267 9.10619 12.9009 9.50073 8.84852 12.0373 13.7502 5.43283 9.60838 numMergedOcc 0
7 mol 239 unq 0 iso 0 dist 6.44212 11.0479 6.37342 10.9473 4.77446 4.21935 7.97883 6.16342 5.29737 6.83046 numMergedOcc 0
8 mol 251 unq 0 iso 0 dist 8.39644 8.59586 9.82043 9.77991 10.0672 8.65547 7.37036 13.3555 6.91874 8.8487 numMergedOcc 0
9 mol 258 unq 0 iso 0 dist 5.73834 3.95075 8.58088 6.41167 5.13233 6.59521 7.52881 6.42289 9.22664 8.21585 numMergedOcc 0
10 mol 274 unq 0 iso 0 dist 9.09967 5.66978 7.79904 7.03782 7.60191 5.59151 4.4049 10.3851 7.96313 5.82876 numMergedOcc 0
11 mol 274 unq 1 iso 0 dist 9.09967 5.66978 7.79904 7.03782 7.60191 5.59151 10.4747 13.6107 13.1879 8.71129 numMergedOcc 0
12 mol 274 unq 2 iso 0 dist 9.09967 10.88 9.86142 7.03782 7.60191 8.17922 4.4049 10.3851 7.97998 5.82876 numMergedOcc 0
13 mol 274 unq 3 iso 0 dist 9.09967 10.88 9.86142 7.03782 7.60191 8.17922 10.4747 13.6107 5.7745 8.71129 numMergedOcc 0
14 mol 274 unq 4 iso 0 dist 8.49076 5.66978 9.02749 7.03782 13.8866 5.59151 4.4049 12.8531 7.96313 5.82876 numMergedOcc 0
15 mol 274 unq 5 iso 0 dist 8.49076 5.66978 9.02749 7.03782 13.8866 5.59151 10.4747 18.9617 13.1879 8.71129 numMergedOcc 0
16 mol 277 unq 0 iso 0 dist 8.96343 13.4151 9.02914 21.7392 17.0927 9.42812 23.8659 21.6043 13.8339 7.07459 numMergedOcc 0
17 mol 277 unq 1 iso 0 dist 9.29635 15.5244 6.90434 24.5235 16.2915 9.42812 27.0241 20.2357 13.8339 7.07459 numMergedOcc 0
