0 mol 17 unq 0 iso 0 dist 8.04682 6.25587 3.85023 10.1274 12.8098 9.78331 numMergedOcc 0
1 mol 20 unq 0 iso 0 dist 8.6615 9.28637 3.61632 9.10773 11.571 9.20198 numMergedOcc 0
2 mol 20 unq 1 iso 0 dist 8.6615 9.28637 3.61632 15.544 7.16149 7.51452 numMergedOcc 0
3 mol 32 unq 0 iso 0 dist 8.73001 5.78878 10.0199 7.58171 13.2963 7.99969 numMergedOcc 0
4 mol 62 unq 0 iso 0 dist 6.93243 6.02731 10.029 11.4221 17.2252 7.56205 numMergedOcc 0
5 mol 62 unq 1 iso 0 dist 6.93243 6.02731 10.029 4.05764 10.0117 4.74544 numMergedOcc 0
6 mol 68 unq 0 iso 0 dist 7.55255 9.9724 3.72006 9.93676 7.09757 7.26024 numMergedOcc 0
7 mol 68 unq 1 iso 0 dist 5.58724 8.59945 5.2359 8.48982 7.09757 6.36086 numMergedOcc 0
8 mol 113 unq 0 iso 0 dist 5.6738 5.7085 8.69658 11.4228 16.0262 8.8822 numMergedOcc 0
9 mol 171 unq 0 iso 0 dist 6.07578 6.08141 7.86006 10.3893 15.4307 9.61462 numMergedOcc 0
10 mol 196 unq 0 iso 0 dist 6.23804 4.83135 3.68546 6.85258 10.0099 6.70531 numMergedOcc 0
11 mol 196 unq 1 iso 0 dist 6.23804 4.83135 3.68546 9.99132 6.11835 6.86319 numMergedOcc 0
12 mol 196 unq 2 iso 0 dist 6.66019 4.83135 6.56216 6.85258 12.4765 6.70531 numMergedOcc 0
13 mol 196 unq 3 iso 0 dist 6.66019 4.83135 6.56216 9.99132 9.93668 6.86319 numMergedOcc 0
14 mol 196 unq 4 iso 0 dist 9.88671 4.83135 7.25762 6.85258 11.9364 6.70531 numMergedOcc 0
15 mol 196 unq 5 iso 0 dist 9.88671 4.83135 7.25762 9.99132 12.8028 6.86319 numMergedOcc 0
16 mol 232 unq 0 iso 0 dist 7.68603 8.70651 6.25229 9.88635 11.1543 8.50102 numMergedOcc 0
17 mol 232 unq 1 iso 0 dist 7.68603 8.70651 6.25229 5.08111 10.8158 9.40808 numMergedOcc 0
18 mol 243 unq 0 iso 0 dist 7.37305 7.24253 11.588 6.54531 13.4958 7.49645 numMergedOcc 0
19 mol 243 unq 1 iso 0 dist 7.37305 7.24253 11.588 11.6229 17.9671 9.9222 numMergedOcc 0
20 mol 251 unq 0 iso 0 dist 4.63025 7.52286 7.33882 5.60154 9.207 8.68707 numMergedOcc 0
21 mol 258 unq 0 iso 0 dist 6.26195 9.43704 5.58975 6.30874 5.8473 7.6595 numMergedOcc 0
22 mol 258 unq 1 iso 0 dist 6.26195 7.41653 11.0519 6.88723 9.52439 9.63959 numMergedOcc 0
23 mol 258 unq 2 iso 0 dist 6.26195 7.41653 11.0519 7.08073 12.5703 9.96262 numMergedOcc 0
24 mol 258 unq 3 iso 0 dist 6.26195 7.41653 11.0519 11.7129 17.1175 7.21311 numMergedOcc 0
25 mol 265 unq 0 iso 0 dist 6.52552 6.99454 10.3547 5.26386 8.2179 6.71375 numMergedOcc 0
