0 mol 88 unq 0 iso 0 dist 7.22635 4.31214 6.89004 12.6459 11.5995 9.36773 numMergedOcc 0
1 mol 92 unq 0 iso 0 dist 8.33665 7.33832 8.79958 11.8688 8.55171 9.33898 numMergedOcc 0
2 mol 92 unq 1 iso 0 dist 8.33665 7.33832 8.79958 13.2504 8.36426 9.64443 numMergedOcc 0
3 mol 94 unq 0 iso 0 dist 9.91934 9.24549 8.96022 12.4139 7.1623 7.89459 numMergedOcc 0
4 mol 94 unq 1 iso 0 dist 9.83212 4.83621 9.91121 8.13248 4.07853 7.89459 numMergedOcc 0
5 mol 95 unq 0 iso 0 dist 7.07806 16.2207 9.90769 17.1125 11.0096 7.88289 numMergedOcc 0
6 mol 95 unq 1 iso 0 dist 7.07806 16.2207 9.90769 17.1861 10.3117 9.01083 numMergedOcc 0
7 mol 95 unq 2 iso 0 dist 7.07806 7.08612 9.02255 6.5136 5.2048 7.27724 numMergedOcc 0
8 mol 109 unq 0 iso 0 dist 9.79967 17.2595 7.86754 15.1516 8.48326 8.69985 numMergedOcc 0
9 mol 109 unq 1 iso 0 dist 9.90099 13.2715 6.929 15.6534 6.28185 8.58044 numMergedOcc 0
10 mol 109 unq 2 iso 0 dist 9.06713 9.64513 6.929 11.0717 6.28185 8.58044 numMergedOcc 0
11 mol 130 unq 0 iso 0 dist 9.88832 5.47697 9.09856 11.8658 7.87833 9.28393 numMergedOcc 0
12 mol 133 unq 0 iso 0 dist 5.35834 4.26332 5.44721 7.85025 5.0869 6.29155 numMergedOcc 0
13 mol 180 unq 0 iso 0 dist 9.68093 4.94581 8.31244 12.6198 6.84196 9.62337 numMergedOcc 0
14 mol 180 unq 1 iso 0 dist 5.6266 5.31 8.31244 10.5251 6.84196 9.62337 numMergedOcc 0
15 mol 180 unq 2 iso 0 dist 8.22907 14.7067 8.31244 11.7804 6.84196 9.62337 numMergedOcc 0
16 mol 224 unq 0 iso 0 dist 5.44846 8.82986 6.7946 11.0486 6.32915 5.81334 numMergedOcc 0
17 mol 259 unq 0 iso 0 dist 4.80805 5.69584 9.07855 11.283 15.5856 7.46176 numMergedOcc 0
18 mol 272 unq 0 iso 0 dist 8.15196 6.52684 5.50002 14.2977 10.4754 9.97651 numMergedOcc 0
19 mol 272 unq 1 iso 0 dist 8.15196 6.52684 5.50002 13.5287 12.6468 8.46116 numMergedOcc 0
20 mol 277 unq 0 iso 0 dist 9.94689 16.5436 8.61945 18.8412 9.21781 9.7748 numMergedOcc 0
