0 mol 8 unq 0 iso 0 dist 6.68091 12.7755 9.00925 7.08043 6.92865 11.3728 9.86938 6.88402 15.3607 8.99126 numMergedOcc 0
1 mol 16 unq 0 iso 0 dist 7.979 6.32859 9.31149 4.78943 8.17898 7.59626 9.05346 12.0005 14.2613 7.03948 numMergedOcc 0
2 mol 68 unq 0 iso 0 dist 7.7307 4.87741 8.76389 6.94239 5.57389 4.62335 12.502 7.01859 11.3154 7.96497 numMergedOcc 0
3 mol 87 unq 0 iso 0 dist 9.4868 11.254 9.10245 11.2491 5.26938 5.39287 16.4798 7.62644 12.6881 7.51358 numMergedOcc 0
4 mol 87 unq 1 iso 0 dist 9.4868 11.254 9.10245 11.2491 5.26938 5.39287 19.1819 10.8096 11.2241 8.93296 numMergedOcc 0
5 mol 87 unq 2 iso 0 dist 9.4868 11.254 9.10245 12.8734 8.91602 11.6194 16.4798 7.62644 12.6881 8.32298 numMergedOcc 0
6 mol 127 unq 0 iso 0 dist 5.52891 3.94367 8.98151 4.70935 8.62711 6.75619 12.3265 13.376 14.869 9.81878 numMergedOcc 0
7 mol 130 unq 0 iso 0 dist 9.92685 6.40926 7.9663 10.5415 9.05626 9.97628 9.82201 5.53247 10.7605 6.89257 numMergedOcc 0
8 mol 130 unq 1 iso 0 dist 9.92685 6.40926 7.9663 10.5415 9.05626 9.97628 15.6318 8.63186 15.0759 8.74308 numMergedOcc 0
9 mol 175 unq 0 iso 0 dist 7.7013 14.2738 8.6609 12.3666 6.73365 6.15969 14.6759 7.92448 12.2829 9.0664 numMergedOcc 0
10 mol 175 unq 1 iso 0 dist 7.7013 8.62822 6.21546 12.3666 6.73365 5.50014 14.6759 7.92448 12.616 9.0664 numMergedOcc 0
11 mol 175 unq 2 iso 0 dist 7.7013 7.44933 6.03184 12.3666 6.73365 7.28617 14.6759 7.92448 9.95921 9.0664 numMergedOcc 0
12 mol 219 unq 0 iso 0 dist 8.55971 5.67196 9.09462 5.0241 9.68515 8.99881 7.1158 6.50565 10.6226 4.87541 numMergedOcc 0
13 mol 219 unq 1 iso 0 dist 7.26376 6.90398 4.67452 5.0241 8.09769 10.0509 7.1158 7.42613 10.719 4.87541 numMergedOcc 0
14 mol 227 unq 0 iso 0 dist 7.78329 5.82891 6.91184 4.53819 6.095 5.0258 7.77951 5.17887 9.73006 5.86443 numMergedOcc 0
15 mol 227 unq 1 iso 0 dist 7.78329 5.82891 6.91184 4.53819 6.095 5.0258 11.042 5.52229 9.69775 7.22914 numMergedOcc 0
16 mol 258 unq 0 iso 0 dist 9.17911 5.62491 6.08181 9.07364 9.67877 5.09738 11.5077 13.6436 10.1492 6.49982 numMergedOcc 0
17 mol 258 unq 1 iso 0 dist 9.17911 15.136 7.70189 9.07364 9.67877 10.4667 11.5077 13.6436 15.2899 6.49982 numMergedOcc 0
18 mol 258 unq 2 iso 0 dist 9.52903 13.2258 6.08181 14.2753 9.67877 5.09738 18.6418 13.6436 10.1492 6.49982 numMergedOcc 0
19 mol 258 unq 3 iso 0 dist 9.52903 3.95075 7.70189 14.2753 9.67877 10.4667 18.6418 13.6436 15.2899 6.49982 numMergedOcc 0
20 mol 282 unq 0 iso 0 dist 8.42335 4.30142 5.62497 4.64783 8.58671 4.85461 8.96997 4.91806 5.2527 6.85028 numMergedOcc 0
