0 mol 100 unq 0 iso 0 dist 7.90328 10.071 9.39469 3.65691 8.72187 12.5518 numMergedOcc 0
1 mol 100 unq 1 iso 0 dist 7.90328 10.071 9.39469 9.66133 6.57181 5.69505 numMergedOcc 0
2 mol 100 unq 2 iso 0 dist 7.90328 5.89399 4.76815 3.65691 8.72187 6.77491 numMergedOcc 0
3 mol 100 unq 3 iso 0 dist 7.90328 5.89399 4.76815 9.66133 6.57181 3.94305 numMergedOcc 0
4 mol 115 unq 0 iso 0 dist 5.58063 5.24961 7.64585 6.56035 9.6234 10.3233 numMergedOcc 0
5 mol 173 unq 0 iso 0 dist 9.56248 8.11337 7.93331 13.6509 6.21271 9.29601 numMergedOcc 0
6 mol 173 unq 1 iso 0 dist 9.56248 8.11337 7.93331 11.7926 8.94895 10.1797 numMergedOcc 0
7 mol 173 unq 2 iso 0 dist 9.56248 10.8336 6.98095 13.6509 6.21271 9.18996 numMergedOcc 0
8 mol 173 unq 3 iso 0 dist 9.56248 10.8336 6.98095 11.7926 8.94895 12.6799 numMergedOcc 0
9 mol 173 unq 4 iso 0 dist 9.56248 10.6484 8.31897 13.6509 6.21271 6.25855 numMergedOcc 0
10 mol 173 unq 5 iso 0 dist 9.56248 10.6484 8.31897 11.7926 8.94895 6.06124 numMergedOcc 0
11 mol 197 unq 0 iso 0 dist 8.32685 10.5326 8.99696 4.20442 9.71155 10.8461 numMergedOcc 0
12 mol 197 unq 1 iso 0 dist 8.32685 10.5326 8.99696 4.42558 8.64209 9.08145 numMergedOcc 0
13 mol 197 unq 2 iso 0 dist 8.32685 10.5326 8.99696 6.84976 9.28658 4.91336 numMergedOcc 0
14 mol 197 unq 3 iso 0 dist 6.74777 5.29309 8.99696 6.9944 9.71155 10.8461 numMergedOcc 0
15 mol 197 unq 4 iso 0 dist 6.74777 5.29309 8.99696 4.23731 8.64209 9.08145 numMergedOcc 0
16 mol 197 unq 5 iso 0 dist 6.74777 5.29309 8.99696 3.44524 9.28658 4.91336 numMergedOcc 0
17 mol 197 unq 6 iso 0 dist 9.62514 4.57437 8.99696 11.4151 9.71155 10.8461 numMergedOcc 0
18 mol 197 unq 7 iso 0 dist 9.62514 4.57437 8.99696 6.31484 8.64209 9.08145 numMergedOcc 0
19 mol 197 unq 8 iso 0 dist 9.62514 4.57437 8.99696 5.95312 9.28658 4.91336 numMergedOcc 0
20 mol 222 unq 0 iso 0 dist 7.35476 4.82768 6.82208 6.37759 7.95899 8.6493 numMergedOcc 0
21 mol 227 unq 0 iso 0 dist 8.42382 7.2593 9.62609 12.4845 9.15202 10.9445 numMergedOcc 0
22 mol 232 unq 0 iso 0 dist 7.79085 12.6449 7.07392 7.87173 7.65744 6.85437 numMergedOcc 0
23 mol 232 unq 1 iso 0 dist 7.79085 12.0243 9.62952 7.87173 7.65744 4.28603 numMergedOcc 0
24 mol 232 unq 2 iso 0 dist 6.48753 10.0878 7.07392 5.68395 7.65744 6.85437 numMergedOcc 0
25 mol 232 unq 3 iso 0 dist 6.48753 9.58249 9.62952 5.68395 7.65744 4.28603 numMergedOcc 0
26 mol 232 unq 4 iso 0 dist 7.83802 8.32185 7.07392 6.31988 7.65744 6.85437 numMergedOcc 0
27 mol 232 unq 5 iso 0 dist 7.83802 8.24395 9.62952 6.31988 7.65744 4.28603 numMergedOcc 0
28 mol 235 unq 0 iso 0 dist 9.74324 13.6747 5.65339 7.76645 7.65432 10.8002 numMergedOcc 0
29 mol 243 unq 0 iso 0 dist 8.53888 10.3202 8.61104 9.59013 5.31262 7.32025 numMergedOcc 0
30 mol 243 unq 1 iso 0 dist 9.46855 10.1405 8.61104 6.69795 5.31262 7.32025 numMergedOcc 0
31 mol 264 unq 0 iso 0 dist 8.44015 11.2529 9.0012 13.747 7.26094 14.5632 numMergedOcc 0
