0 mol 25 unq 0 iso 0 dist 6.80822 5.33732 8.5404 6.39668 6.63839 9.12941 numMergedOcc 0
1 mol 41 unq 0 iso 0 dist 6.59367 11.0096 5.52067 12.5752 6.73801 6.32189 numMergedOcc 0
2 mol 41 unq 1 iso 0 dist 6.59367 11.0096 5.52067 8.68242 6.42834 4.85777 numMergedOcc 0
3 mol 105 unq 0 iso 0 dist 9.3724 6.99759 7.20953 8.65154 5.03173 4.22355 numMergedOcc 0
4 mol 128 unq 0 iso 0 dist 9.11128 14.4727 9.89462 5.21856 7.75012 10.9902 numMergedOcc 0
5 mol 128 unq 1 iso 0 dist 9.11128 14.4727 9.89462 13.0031 6.98158 4.68499 numMergedOcc 0
6 mol 130 unq 0 iso 0 dist 6.26422 5.32363 7.62145 5.11595 9.62236 5.82483 numMergedOcc 0
7 mol 130 unq 1 iso 0 dist 6.26422 5.32363 7.62145 9.37324 6.90634 6.85776 numMergedOcc 0
8 mol 133 unq 0 iso 0 dist 6.61636 12.9327 9.4062 10.745 6.51868 4.35684 numMergedOcc 0
9 mol 133 unq 1 iso 0 dist 6.61636 12.9327 9.4062 11.3682 7.34698 11.668 numMergedOcc 0
10 mol 143 unq 0 iso 0 dist 8.22353 6.36527 6.40901 11.6598 9.30424 5.99865 numMergedOcc 0
11 mol 143 unq 1 iso 0 dist 8.22353 11.8891 9.40626 11.6598 9.30424 11.2236 numMergedOcc 0
12 mol 143 unq 2 iso 0 dist 8.57285 11.1239 6.40901 8.28318 9.30424 5.99865 numMergedOcc 0
13 mol 143 unq 3 iso 0 dist 8.57285 14.3979 9.40626 8.28318 9.30424 11.2236 numMergedOcc 0
14 mol 173 unq 0 iso 0 dist 7.33162 11.9409 7.54706 4.67407 8.41245 9.77146 numMergedOcc 0
15 mol 173 unq 1 iso 0 dist 7.33162 11.9409 7.54706 6.34062 6.64779 9.43677 numMergedOcc 0
16 mol 189 unq 0 iso 0 dist 4.96433 10.9398 8.32712 6.37312 6.31466 6.16643 numMergedOcc 0
17 mol 189 unq 1 iso 0 dist 7.65477 8.0379 9.6013 6.41248 9.33695 6.16643 numMergedOcc 0
18 mol 189 unq 2 iso 0 dist 8.2926 8.0379 8.32712 6.41248 6.31466 6.16643 numMergedOcc 0
19 mol 239 unq 0 iso 0 dist 4.57548 9.70785 8.8827 5.86546 7.02079 12.6361 numMergedOcc 0
20 mol 239 unq 1 iso 0 dist 4.57548 9.70785 8.8827 8.35939 5.88802 4.04521 numMergedOcc 0
21 mol 273 unq 0 iso 0 dist 7.96519 10.9098 6.94131 4.30863 8.85779 9.76492 numMergedOcc 0
22 mol 273 unq 1 iso 0 dist 7.96519 13.7674 9.84628 4.30863 8.85779 13.6188 numMergedOcc 0
