0 mol 9 unq 0 iso 0 dist 5.85081 13.1565 8.14998 16.2462 13.4984 9.47063 numMergedOcc 0
1 mol 11 unq 0 iso 0 dist 9.08736 7.86896 8.68293 12.8782 13.5125 5.96346 numMergedOcc 0
2 mol 11 unq 1 iso 0 dist 9.74528 7.86896 6.84216 12.8782 6.76736 5.96346 numMergedOcc 0
3 mol 15 unq 0 iso 0 dist 5.68079 5.63041 8.4014 6.88546 5.69755 5.89412 numMergedOcc 0
4 mol 24 unq 0 iso 0 dist 8.11143 6.88453 7.49157 12.0678 7.02381 7.33768 numMergedOcc 0
5 mol 24 unq 1 iso 0 dist 8.11143 6.88453 7.49157 14.3328 13.4969 9.01567 numMergedOcc 0
6 mol 24 unq 2 iso 0 dist 8.11143 6.88453 7.49157 13.3947 14.1137 7.29868 numMergedOcc 0
7 mol 25 unq 0 iso 0 dist 7.72372 5.78908 7.03372 14.0934 10.3493 8.6653 numMergedOcc 0
8 mol 32 unq 0 iso 0 dist 8.70331 14.036 8.91596 13.5001 10.8132 7.99969 numMergedOcc 0
9 mol 43 unq 0 iso 0 dist 8.81562 4.80528 9.02471 13.1284 10.4863 8.95682 numMergedOcc 0
10 mol 73 unq 0 iso 0 dist 4.8983 6.97502 8.62079 9.87816 12.0718 6.02816 numMergedOcc 0
11 mol 92 unq 0 iso 0 dist 6.34669 5.60777 4.17838 7.31426 3.77771 5.37007 numMergedOcc 0
12 mol 113 unq 0 iso 0 dist 9.57769 10.9135 9.30832 19.1307 15.5674 8.8822 numMergedOcc 0
13 mol 113 unq 1 iso 0 dist 9.57769 10.9135 9.30832 18.9645 13.7232 9.66219 numMergedOcc 0
14 mol 122 unq 0 iso 0 dist 4.821 6.28781 4.42563 15.2006 11.3935 9.23819 numMergedOcc 0
15 mol 122 unq 1 iso 0 dist 4.821 6.28781 4.42563 13.537 8.90201 8.88537 numMergedOcc 0
16 mol 194 unq 0 iso 0 dist 7.56217 13.445 9.52922 5.4455 3.7326 8.65535 numMergedOcc 0
17 mol 198 unq 0 iso 0 dist 7.94413 4.81051 6.77156 8.28295 4.73496 6.34616 numMergedOcc 0
18 mol 205 unq 0 iso 0 dist 8.83628 14.3203 9.31158 15.8908 9.43113 4.8668 numMergedOcc 0
19 mol 292 unq 0 iso 0 dist 9.25289 8.15589 9.96374 14.1049 8.33171 8.87028 numMergedOcc 0
20 mol 292 unq 1 iso 0 dist 9.29687 15.908 9.96374 16.6417 8.33171 8.87028 numMergedOcc 0
