0 mol 53 unq 0 iso 0 dist 7.61675 6.53895 9.99188 10.3698 9.23241 13.4924 numMergedOcc 0
1 mol 53 unq 1 iso 0 dist 9.64645 5.29664 9.99188 12.1711 9.23241 13.4924 numMergedOcc 0
2 mol 111 unq 0 iso 0 dist 8.52122 9.22125 5.61533 10.9853 9.82548 13.8529 numMergedOcc 0
3 mol 112 unq 0 iso 0 dist 5.82495 7.06664 9.13886 6.50047 7.98999 11.5393 numMergedOcc 0
4 mol 151 unq 0 iso 0 dist 8.40211 12.6452 8.14552 10.2163 5.87912 4.1267 numMergedOcc 0
5 mol 151 unq 1 iso 0 dist 8.40211 12.6452 8.14552 7.9137 7.06678 7.14821 numMergedOcc 0
6 mol 151 unq 2 iso 0 dist 8.40211 6.10638 6.01918 10.2163 5.87912 4.49592 numMergedOcc 0
7 mol 151 unq 3 iso 0 dist 8.40211 6.10638 6.01918 7.9137 7.06678 6.99629 numMergedOcc 0
8 mol 151 unq 4 iso 0 dist 8.24746 11.4181 8.14552 10.3952 5.87912 4.1267 numMergedOcc 0
9 mol 151 unq 5 iso 0 dist 8.24746 11.4181 8.14552 4.83603 7.06678 7.14821 numMergedOcc 0
10 mol 151 unq 6 iso 0 dist 8.24746 7.61748 6.01918 10.3952 5.87912 4.49592 numMergedOcc 0
11 mol 151 unq 7 iso 0 dist 8.24746 7.61748 6.01918 4.83603 7.06678 6.99629 numMergedOcc 0
12 mol 163 unq 0 iso 0 dist 7.64106 9.14914 9.07256 6.74862 9.3832 5.72937 numMergedOcc 0
13 mol 163 unq 1 iso 0 dist 7.64106 9.14914 9.07256 12.1164 6.0247 10.1929 numMergedOcc 0
14 mol 163 unq 2 iso 0 dist 7.64106 9.14914 9.07256 11.5172 6.40873 6.65976 numMergedOcc 0
15 mol 173 unq 0 iso 0 dist 7.55147 9.00989 5.77288 5.42433 5.36078 3.95563 numMergedOcc 0
16 mol 173 unq 1 iso 0 dist 7.55147 6.78453 8.44376 5.42433 5.36078 8.4136 numMergedOcc 0
17 mol 213 unq 0 iso 0 dist 9.95628 8.06042 6.98756 12.1 8.91912 11.0215 numMergedOcc 0
18 mol 252 unq 0 iso 0 dist 9.00798 4.78765 7.82138 6.6854 5.22349 5.51625 numMergedOcc 0
19 mol 258 unq 0 iso 0 dist 9.84755 6.40679 7.44607 3.851 9.49787 7.76692 numMergedOcc 0
20 mol 294 unq 0 iso 0 dist 9.99345 9.17301 4.37724 9.47753 9.2542 5.42154 numMergedOcc 0
