0 mol 48 unq 0 iso 0 dist 8.06519 7.99735 13.3375 6.77802 9.58381 9.165 numMergedOcc 0
1 mol 48 unq 1 iso 0 dist 7.54027 7.99735 8.95658 6.77802 7.61744 9.165 numMergedOcc 0
2 mol 78 unq 0 iso 0 dist 8.06502 6.09318 5.42987 9.06839 12.1419 6.73079 numMergedOcc 0
3 mol 78 unq 1 iso 0 dist 8.76115 6.09318 4.37747 9.06839 6.0511 6.73079 numMergedOcc 0
4 mol 79 unq 0 iso 0 dist 5.09725 6.00684 5.46484 6.29267 4.91617 4.15002 numMergedOcc 0
5 mol 79 unq 1 iso 0 dist 5.09725 6.00684 5.46484 9.64361 5.11766 8.46282 numMergedOcc 0
6 mol 147 unq 0 iso 0 dist 7.52211 9.89646 13.3408 8.94352 5.14383 10.0388 numMergedOcc 0
7 mol 176 unq 0 iso 0 dist 8.36606 7.36833 10.5221 8.00223 6.27598 11.2094 numMergedOcc 0
8 mol 176 unq 1 iso 0 dist 8.36606 7.36833 10.5221 9.60695 4.60306 9.89989 numMergedOcc 0
9 mol 233 unq 0 iso 0 dist 8.25961 9.46821 13.7851 6.45095 6.44449 12.8448 numMergedOcc 0
10 mol 255 unq 0 iso 0 dist 8.17286 6.94032 4.76869 8.66655 5.09111 4.9727 numMergedOcc 0
11 mol 255 unq 1 iso 0 dist 8.17286 5.53395 12.0211 8.66655 5.09111 10.1167 numMergedOcc 0
12 mol 258 unq 0 iso 0 dist 7.96325 6.77021 8.11944 4.98907 4.2886 5.05766 numMergedOcc 0
13 mol 258 unq 1 iso 0 dist 6.81635 6.77021 7.85663 4.98907 6.42446 5.05766 numMergedOcc 0
14 mol 287 unq 0 iso 0 dist 8.85872 4.75392 12.0536 8.15636 16.6514 5.15725 numMergedOcc 0
15 mol 287 unq 1 iso 0 dist 8.85872 4.75392 12.0536 7.86292 14.7215 7.67235 numMergedOcc 0
16 mol 287 unq 2 iso 0 dist 8.85872 8.61667 13.7407 8.15636 16.6514 7.46917 numMergedOcc 0
17 mol 287 unq 3 iso 0 dist 8.85872 8.61667 13.7407 7.86292 14.7215 7.99757 numMergedOcc 0
18 mol 288 unq 0 iso 0 dist 8.85872 4.75392 12.0536 8.15636 16.6514 5.15725 numMergedOcc 0
19 mol 288 unq 1 iso 0 dist 8.85872 4.75392 12.0536 7.86292 14.7215 7.67235 numMergedOcc 0
20 mol 288 unq 2 iso 0 dist 8.85872 8.61667 13.7407 8.15636 16.6514 7.46917 numMergedOcc 0
21 mol 288 unq 3 iso 0 dist 8.85872 8.61667 13.7407 7.86292 14.7215 7.99757 numMergedOcc 0
22 mol 289 unq 0 iso 0 dist 8.85872 4.75392 12.0536 8.15636 16.6514 5.15725 numMergedOcc 0
23 mol 289 unq 1 iso 0 dist 8.85872 4.75392 12.0536 7.86292 14.7215 7.67235 numMergedOcc 0
24 mol 289 unq 2 iso 0 dist 8.85872 8.61667 13.7407 8.15636 16.6514 7.46917 numMergedOcc 0
25 mol 289 unq 3 iso 0 dist 8.85872 8.61667 13.7407 7.86292 14.7215 7.99757 numMergedOcc 0
