0 mol 20 unq 0 iso 0 dist 4.15066 7.50142 7.69558 8.4193 11.9747 8.93872 numMergedOcc 0
1 mol 20 unq 1 iso 0 dist 4.15066 6.4074 8.3037 8.4193 11.9747 5.49589 numMergedOcc 0
2 mol 28 unq 0 iso 0 dist 6.53312 5.06086 7.10923 7.09127 12.9043 7.96846 numMergedOcc 0
3 mol 44 unq 0 iso 0 dist 7.20409 9.12595 4.1456 11.2142 4.97954 7.89468 numMergedOcc 0
4 mol 44 unq 1 iso 0 dist 5.93729 9.12595 6.87676 11.2142 9.20117 7.89468 numMergedOcc 0
5 mol 44 unq 2 iso 0 dist 9.7328 9.12595 11.0844 11.2142 13.4267 7.89468 numMergedOcc 0
6 mol 68 unq 0 iso 0 dist 8.25884 5.58724 11.0834 5.3778 12.4988 5.97363 numMergedOcc 0
7 mol 75 unq 0 iso 0 dist 8.4689 7.58398 9.3123 5.36918 11.5019 5.72034 numMergedOcc 0
8 mol 75 unq 1 iso 0 dist 8.4689 7.58398 9.3123 7.84419 8.5142 6.15203 numMergedOcc 0
9 mol 171 unq 0 iso 0 dist 8.30819 6.07578 12.3288 10.8009 13.9074 8.06482 numMergedOcc 0
10 mol 176 unq 0 iso 0 dist 6.55106 8.27087 4.57491 6.30772 9.37772 8.8556 numMergedOcc 0
11 mol 176 unq 1 iso 0 dist 8.08891 7.71329 4.57491 7.83546 9.37772 8.8556 numMergedOcc 0
12 mol 196 unq 0 iso 0 dist 8.09572 6.23804 8.23098 10.8398 15.7543 8.94535 numMergedOcc 0
13 mol 252 unq 0 iso 0 dist 9.01177 8.16181 4.28835 5.57575 6.68688 8.69831 numMergedOcc 0
14 mol 252 unq 1 iso 0 dist 9.15686 8.16181 11.8501 5.57575 12.1681 8.69831 numMergedOcc 0
15 mol 272 unq 0 iso 0 dist 6.20857 8.02328 3.62419 4.22769 5.19015 5.15197 numMergedOcc 0
