0 mol 10 unq 0 iso 0 dist 7.57901 9.05199 8.44864 5.02729 5.59965 5.94361 numMergedOcc 0
1 mol 12 unq 0 iso 0 dist 6.05244 11.812 9.25493 5.92892 5.76024 5.97178 numMergedOcc 0
2 mol 12 unq 1 iso 0 dist 6.05244 11.812 9.25493 4.80294 7.92714 10.229 numMergedOcc 0
3 mol 12 unq 2 iso 0 dist 6.05244 11.812 9.25493 10.6891 8.47217 7.00379 numMergedOcc 0
4 mol 26 unq 0 iso 0 dist 8.69142 7.54726 9.27369 13.7478 6.93197 12.8556 numMergedOcc 0
5 mol 26 unq 1 iso 0 dist 9.01993 14.7592 8.99751 11.194 7.35861 9.62452 numMergedOcc 0
6 mol 26 unq 2 iso 0 dist 9.01993 15.6317 9.30674 11.194 7.35861 7.40218 numMergedOcc 0
7 mol 26 unq 3 iso 0 dist 9.01993 14.4804 8.25567 11.194 7.35861 3.9882 numMergedOcc 0
8 mol 26 unq 4 iso 0 dist 8.43523 12.5131 9.27369 11.2171 6.93197 12.8556 numMergedOcc 0
9 mol 26 unq 5 iso 0 dist 4.9737 6.24786 9.32718 6.09666 6.93197 4.03003 numMergedOcc 0
10 mol 68 unq 0 iso 0 dist 6.27321 5.16912 7.07989 11.3732 6.74766 8.57904 numMergedOcc 0
11 mol 68 unq 1 iso 0 dist 6.27321 14.5387 9.77272 11.3732 6.74766 4.05011 numMergedOcc 0
12 mol 92 unq 0 iso 0 dist 6.15011 5.27016 5.62309 8.51558 6.77241 4.1125 numMergedOcc 0
13 mol 92 unq 1 iso 0 dist 6.14674 6.39099 5.62309 10.0075 6.77241 4.1125 numMergedOcc 0
14 mol 98 unq 0 iso 0 dist 5.21813 9.55396 5.94696 6.3915 7.36769 9.51607 numMergedOcc 0
15 mol 98 unq 1 iso 0 dist 5.21813 9.55396 5.94696 5.081 6.88901 12.5752 numMergedOcc 0
16 mol 98 unq 2 iso 0 dist 7.89276 6.62277 5.94696 11.0602 7.36769 9.51607 numMergedOcc 0
17 mol 98 unq 3 iso 0 dist 7.89276 6.62277 5.94696 14.1992 6.88901 12.5752 numMergedOcc 0
18 mol 112 unq 0 iso 0 dist 9.86487 6.92638 5.42828 11.57 7.80873 6.62328 numMergedOcc 0
19 mol 113 unq 0 iso 0 dist 8.49444 4.77108 9.66068 13.2576 6.6317 14.6132 numMergedOcc 0
20 mol 114 unq 0 iso 0 dist 9.84391 4.73128 7.48533 8.30856 8.42878 3.88006 numMergedOcc 0
21 mol 184 unq 0 iso 0 dist 6.71675 3.76321 8.95598 11.5379 7.54099 12.4352 numMergedOcc 0
22 mol 186 unq 0 iso 0 dist 8.76308 12.897 7.58256 9.75326 6.21159 5.98598 numMergedOcc 0
23 mol 225 unq 0 iso 0 dist 7.51337 13.8982 9.79381 7.6183 8.37739 9.51443 numMergedOcc 0
24 mol 225 unq 1 iso 0 dist 7.51337 13.8982 9.79381 11.0788 9.47237 9.52516 numMergedOcc 0
25 mol 225 unq 2 iso 0 dist 7.51337 14.2286 8.37379 7.6183 8.37739 11.2979 numMergedOcc 0
26 mol 225 unq 3 iso 0 dist 7.51337 14.2286 8.37379 11.0788 9.47237 11.0488 numMergedOcc 0
27 mol 256 unq 0 iso 0 dist 5.58036 7.35186 5.66817 10.8477 6.33496 7.4144 numMergedOcc 0
28 mol 256 unq 1 iso 0 dist 5.58036 7.35186 5.66817 9.95403 6.00636 3.86625 numMergedOcc 0
29 mol 256 unq 2 iso 0 dist 5.58036 7.35186 5.66817 7.21464 7.81448 11.0891 numMergedOcc 0
30 mol 256 unq 3 iso 0 dist 5.58036 7.35186 5.66817 10.4702 8.54499 11.854 numMergedOcc 0
31 mol 260 unq 0 iso 0 dist 4.76698 9.30964 5.68717 11.9795 9.32954 7.55193 numMergedOcc 0
32 mol 287 unq 0 iso 0 dist 8.25538 4.91435 8.42076 7.64544 6.95912 5.89772 numMergedOcc 0
33 mol 288 unq 0 iso 0 dist 8.25538 4.91435 8.42076 7.64544 6.95912 5.89772 numMergedOcc 0
34 mol 289 unq 0 iso 0 dist 8.25538 4.91435 8.42076 7.64544 6.95912 5.89772 numMergedOcc 0
