0 mol 8 unq 0 iso 0 dist 9.91301 7.96271 8.85986 13.8883 9.01112 15.3906 numMergedOcc 0
1 mol 68 unq 0 iso 0 dist 8.04256 6.59983 13.8724 7.21365 7.39665 11.4648 numMergedOcc 0
2 mol 68 unq 1 iso 0 dist 8.04256 9.92579 15.9935 7.21365 7.39665 13.262 numMergedOcc 0
3 mol 78 unq 0 iso 0 dist 9.23023 9.739 5.40759 13.8703 6.85523 10.5655 numMergedOcc 0
4 mol 78 unq 1 iso 0 dist 9.23023 9.739 5.40759 11.9719 5.77326 10.9538 numMergedOcc 0
5 mol 81 unq 0 iso 0 dist 9.08307 6.22059 6.08849 3.71228 7.07095 7.1229 numMergedOcc 0
6 mol 88 unq 0 iso 0 dist 7.74197 6.64933 11.9839 11.151 7.80898 16.828 numMergedOcc 0
7 mol 88 unq 1 iso 0 dist 7.74197 8.67727 11.2929 11.151 7.80898 17.5914 numMergedOcc 0
8 mol 92 unq 0 iso 0 dist 7.5819 9.98606 5.44942 5.23795 9.33861 13.606 numMergedOcc 0
9 mol 112 unq 0 iso 0 dist 5.17585 8.12196 6.68847 3.82552 4.22363 5.64143 numMergedOcc 0
10 mol 119 unq 0 iso 0 dist 6.18763 6.29634 7.36889 5.92411 8.95212 4.22806 numMergedOcc 0
11 mol 119 unq 1 iso 0 dist 8.44385 6.29634 4.55137 5.92411 6.99446 4.22806 numMergedOcc 0
12 mol 119 unq 2 iso 0 dist 5.63005 6.29634 6.42493 5.92411 7.64052 4.22806 numMergedOcc 0
13 mol 127 unq 0 iso 0 dist 9.42513 9.91321 12.4721 8.71432 6.08673 15.8154 numMergedOcc 0
14 mol 133 unq 0 iso 0 dist 5.82404 6.31523 5.58281 11.5628 8.77023 5.47256 numMergedOcc 0
15 mol 139 unq 0 iso 0 dist 6.34417 9.15824 7.93652 4.37138 5.80789 11.8698 numMergedOcc 0
16 mol 186 unq 0 iso 0 dist 8.96988 9.33272 5.88779 3.6848 8.90571 7.54492 numMergedOcc 0
17 mol 220 unq 0 iso 0 dist 7.16386 8.89394 7.36923 4.94998 8.2123 12.2369 numMergedOcc 0
18 mol 257 unq 0 iso 0 dist 9.83721 9.91856 8.55247 14.007 7.81897 13.2636 numMergedOcc 0
19 mol 259 unq 0 iso 0 dist 5.90645 4.98888 4.51538 9.54522 9.07743 12.4452 numMergedOcc 0
20 mol 273 unq 0 iso 0 dist 8.57501 9.66208 4.89814 3.84082 9.21786 10.0083 numMergedOcc 0
21 mol 292 unq 0 iso 0 dist 9.6898 9.23149 5.56576 18.4042 9.9182 14.843 numMergedOcc 0
22 mol 292 unq 1 iso 0 dist 9.6898 9.23149 5.56576 14.5738 8.9221 11.3401 numMergedOcc 0
23 mol 292 unq 2 iso 0 dist 5.75596 9.61379 5.56576 6.65781 9.9182 14.843 numMergedOcc 0
24 mol 292 unq 3 iso 0 dist 5.75596 9.61379 5.56576 4.00064 8.9221 11.3401 numMergedOcc 0
25 mol 292 unq 4 iso 0 dist 8.37867 9.61379 14.0848 6.65781 9.10788 14.843 numMergedOcc 0
26 mol 292 unq 5 iso 0 dist 8.37867 9.61379 14.0848 4.00064 8.85064 11.3401 numMergedOcc 0
27 mol 292 unq 6 iso 0 dist 7.53641 8.25719 9.6563 10.0594 7.20674 14.9493 numMergedOcc 0
28 mol 292 unq 7 iso 0 dist 7.53641 8.25719 9.6563 15.5666 8.38121 17.2353 numMergedOcc 0
