0 mol 20 unq 0 iso 0 dist 8.27044 7.84767 9.4759 11.5541 6.44693 9.15208 numMergedOcc 0
1 mol 61 unq 0 iso 0 dist 8.05585 10.1002 5.97418 10.4302 8.60577 6.44323 numMergedOcc 0
2 mol 65 unq 0 iso 0 dist 6.47678 7.34147 9.1487 6.92714 9.38611 5.38234 numMergedOcc 0
3 mol 86 unq 0 iso 0 dist 9.85204 12.716 9.59708 10.2039 7.26032 6.51657 numMergedOcc 0
4 mol 86 unq 1 iso 0 dist 9.85204 5.0787 7.18799 10.2039 7.26032 5.19926 numMergedOcc 0
5 mol 103 unq 0 iso 0 dist 7.80999 8.20391 5.72494 4.5238 5.94478 6.07628 numMergedOcc 0
6 mol 103 unq 1 iso 0 dist 7.80999 13.9373 8.70106 4.5238 5.94478 10.2138 numMergedOcc 0
7 mol 127 unq 0 iso 0 dist 8.0486 5.99147 9.57623 4.97123 9.79448 8.89539 numMergedOcc 0
8 mol 168 unq 0 iso 0 dist 7.72564 4.89488 6.89643 7.05725 6.60477 6.49186 numMergedOcc 0
9 mol 168 unq 1 iso 0 dist 9.30614 8.12663 6.89643 4.7099 6.60477 6.49186 numMergedOcc 0
10 mol 189 unq 0 iso 0 dist 8.21424 11.7819 8.81184 10.76 9.58744 13.1061 numMergedOcc 0
11 mol 189 unq 1 iso 0 dist 8.21424 5.26436 9.71306 10.76 9.58744 11.7613 numMergedOcc 0
12 mol 189 unq 2 iso 0 dist 8.21424 10.6858 9.20296 10.76 9.58744 6.36139 numMergedOcc 0
13 mol 241 unq 0 iso 0 dist 9.37717 13.1166 8.89382 9.50792 8.98617 4.68085 numMergedOcc 0
14 mol 241 unq 1 iso 0 dist 9.37717 13.1166 8.89382 6.15029 6.74552 10.8729 numMergedOcc 0
15 mol 253 unq 0 iso 0 dist 6.54733 7.82734 8.27377 5.9993 7.0247 12.8819 numMergedOcc 0
16 mol 276 unq 0 iso 0 dist 7.29754 10.356 8.0652 12.0736 7.11272 11.0506 numMergedOcc 0
17 mol 276 unq 1 iso 0 dist 7.29754 10.356 8.0652 5.82478 6.24808 5.88008 numMergedOcc 0
18 mol 287 unq 0 iso 0 dist 8.01242 7.52242 4.66252 5.9862 9.22576 11.3048 numMergedOcc 0
19 mol 288 unq 0 iso 0 dist 8.01242 7.52242 4.66252 5.9862 9.22576 11.3048 numMergedOcc 0
20 mol 289 unq 0 iso 0 dist 8.01242 7.52242 4.66252 5.9862 9.22576 11.3048 numMergedOcc 0
