0 mol 0 unq 0 iso 0 dist 9.42137 14.5258 7.15528 13.5016 5.47921 6.94181 22.8862 15.3785 14.0556 9.94618 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 8.38387 11.0096 8.80331 11.0563 5.90113 9.17086 7.67926 9.74445 10.323 7.53564 numMergedOcc 0
2 mol 54 unq 0 iso 0 dist 5.97635 13.2619 8.10861 8.34361 5.65405 6.54183 4.94741 5.59773 10.1356 6.10175 numMergedOcc 0
3 mol 75 unq 0 iso 0 dist 6.95595 12.7957 7.79912 19.9172 13.5815 8.2147 17.2252 13.0997 5.4217 8.47302 numMergedOcc 0
4 mol 90 unq 0 iso 0 dist 7.75811 4.8042 5.83409 7.68053 6.1985 8.44515 7.84652 12.6828 10.4263 8.39015 numMergedOcc 0
5 mol 109 unq 0 iso 0 dist 8.73648 9.47324 7.34473 11.6716 5.29855 7.51061 14.084 13.1633 10.6667 9.2046 numMergedOcc 0
6 mol 117 unq 0 iso 0 dist 6.90827 10.4485 7.90328 11.6509 5.21051 7.0318 13.2842 9.85576 10.4589 8.30003 numMergedOcc 0
7 mol 117 unq 1 iso 0 dist 8.90977 13.8755 7.90328 13.1924 5.21051 7.0318 12.0106 9.85576 10.4589 8.30003 numMergedOcc 0
8 mol 119 unq 0 iso 0 dist 5.63005 10.5268 8.73993 15.5348 10.5726 8.88255 19.1652 15.5753 9.35307 7.26463 numMergedOcc 0
9 mol 126 unq 0 iso 0 dist 8.32241 4.84035 6.06638 10.6754 5.50061 6.24392 9.63225 9.54928 7.01529 9.40608 numMergedOcc 0
10 mol 131 unq 0 iso 0 dist 6.31125 5.6098 8.40312 12.7607 12.3624 9.33945 12.8661 11.439 8.25445 7.8034 numMergedOcc 0
11 mol 239 unq 0 iso 0 dist 6.44212 7.97883 6.16342 10.9473 4.77446 6.83046 11.0479 6.37342 5.29737 4.21935 numMergedOcc 0
12 mol 258 unq 0 iso 0 dist 5.73834 7.52881 6.42289 6.41167 5.13233 8.21585 3.95075 8.58088 9.22664 6.59521 numMergedOcc 0
13 mol 259 unq 0 iso 0 dist 5.90645 4.62072 8.53687 5.16838 5.20592 5.75874 5.45575 10.3594 6.9607 7.4294 numMergedOcc 0
14 mol 259 unq 1 iso 0 dist 5.90645 4.62072 8.53687 5.16838 5.20592 5.75874 10.6997 12.6542 6.68041 8.37253 numMergedOcc 0
