0 mol 34 unq 0 iso 0 dist 8.58962 6.71226 6.40741 10.1079 6.10716 6.17472 numMergedOcc 0
1 mol 34 unq 1 iso 0 dist 9.95325 5.64203 6.40741 11.704 6.10716 6.17472 numMergedOcc 0
2 mol 73 unq 0 iso 0 dist 8.13535 7.78899 5.30477 12.8026 10.1715 9.94312 numMergedOcc 0
3 mol 92 unq 0 iso 0 dist 7.31426 7.30364 7.2131 9.46036 5.47738 4.85152 numMergedOcc 0
4 mol 92 unq 1 iso 0 dist 6.15654 10.9929 7.44343 10.0422 4.665 4.85152 numMergedOcc 0
5 mol 120 unq 0 iso 0 dist 8.64019 11.5499 9.37051 12.301 4.36082 9.38035 numMergedOcc 0
6 mol 125 unq 0 iso 0 dist 9.85979 13.8016 9.2657 16.287 7.74181 6.6081 numMergedOcc 0
7 mol 125 unq 1 iso 0 dist 9.85979 13.8016 9.2657 9.67137 8.27647 9.64304 numMergedOcc 0
8 mol 152 unq 0 iso 0 dist 8.49831 6.78674 9.62138 7.53667 5.8155 7.99446 numMergedOcc 0
9 mol 152 unq 1 iso 0 dist 8.49831 5.79944 5.11444 7.53667 5.8155 7.21636 numMergedOcc 0
10 mol 181 unq 0 iso 0 dist 6.03403 6.36904 5.67112 12.1089 9.86163 5.77393 numMergedOcc 0
11 mol 185 unq 0 iso 0 dist 6.68054 4.81985 8.56136 10.876 13.85 6.11382 numMergedOcc 0
12 mol 232 unq 0 iso 0 dist 6.83927 6.32212 6.67239 11.2382 5.65837 7.33708 numMergedOcc 0
13 mol 232 unq 1 iso 0 dist 6.83927 6.32212 6.67239 10.0659 10.7624 4.46314 numMergedOcc 0
14 mol 232 unq 2 iso 0 dist 9.25162 6.32212 6.23146 11.2382 4.82887 7.33708 numMergedOcc 0
15 mol 232 unq 3 iso 0 dist 9.25162 6.32212 6.23146 10.0659 8.15893 4.46314 numMergedOcc 0
16 mol 253 unq 0 iso 0 dist 9.29788 8.79627 9.6479 10.6802 10.5693 9.35766 numMergedOcc 0
17 mol 253 unq 1 iso 0 dist 9.50983 5.05272 9.6479 11.8776 10.5693 9.35766 numMergedOcc 0
18 mol 279 unq 0 iso 0 dist 7.66302 8.76427 8.16582 12.0846 4.99186 8.76889 numMergedOcc 0
19 mol 279 unq 1 iso 0 dist 7.66302 8.76427 8.16582 12.8566 8.17282 7.04397 numMergedOcc 0
20 mol 294 unq 0 iso 0 dist 7.14502 12.6882 9.7659 14.0967 9.61922 6.9719 numMergedOcc 0
