0 mol 54 unq 0 iso 0 dist 8.34361 4.94741 6.10175 5.97635 5.65405 5.59773 8.98505 8.41365 10.352 5.02241 numMergedOcc 0
1 mol 92 unq 0 iso 0 dist 9.03472 8.39416 4.85152 15.5748 11.1785 9.514 12.8333 6.58062 5.02124 5.81965 numMergedOcc 0
2 mol 92 unq 1 iso 0 dist 9.03472 8.39416 4.85152 12.2317 10.9352 7.84888 12.8333 6.58062 5.02124 7.06013 numMergedOcc 0
3 mol 92 unq 2 iso 0 dist 9.40274 10.4946 4.85152 17.5033 11.1785 9.514 14.5544 6.58062 5.02124 5.81965 numMergedOcc 0
4 mol 92 unq 3 iso 0 dist 9.40274 10.4946 4.85152 14.8214 10.9352 7.84888 14.5544 6.58062 5.02124 7.06013 numMergedOcc 0
5 mol 117 unq 0 iso 0 dist 8.85708 8.3896 5.24519 11.3462 5.34484 7.70533 13.485 11.3437 12.4058 6.62561 numMergedOcc 0
6 mol 131 unq 0 iso 0 dist 7.46875 6.68239 5.50364 7.81337 5.29825 8.97145 6.25099 10.1792 10.4276 6.91348 numMergedOcc 0
7 mol 131 unq 1 iso 0 dist 7.46875 6.68239 5.50364 7.81337 5.29825 8.97145 14.8295 13.4104 14.8011 9.51418 numMergedOcc 0
8 mol 131 unq 2 iso 0 dist 7.46875 7.74794 8.7301 7.81337 5.29825 6.5874 6.25099 10.1792 4.96935 6.91348 numMergedOcc 0
9 mol 131 unq 3 iso 0 dist 7.46875 7.74794 8.7301 7.81337 5.29825 6.5874 14.8295 13.4104 7.83921 9.51418 numMergedOcc 0
10 mol 175 unq 0 iso 0 dist 8.43256 4.85698 8.39634 12.4136 9.72213 9.00898 17.4697 18.4765 13.7622 9.52634 numMergedOcc 0
11 mol 175 unq 1 iso 0 dist 8.14202 5.60933 8.39634 10.1817 9.72213 9.00898 15.2188 18.4765 13.7622 9.52634 numMergedOcc 0
12 mol 214 unq 0 iso 0 dist 7.71569 8.72971 5.69733 5.36829 5.68711 8.49704 8.69149 12.4978 13.4309 6.97182 numMergedOcc 0
13 mol 214 unq 1 iso 0 dist 7.71569 8.72971 5.69733 5.36829 5.68711 8.49704 6.00706 11.0481 13.5787 6.1175 numMergedOcc 0
14 mol 235 unq 0 iso 0 dist 8.52954 8.47815 7.52696 9.4144 8.38435 7.2346 4.28284 10.0749 9.5053 7.32211 numMergedOcc 0
15 mol 238 unq 0 iso 0 dist 8.75001 9.0972 6.32593 10.6346 6.53984 9.75174 11.9879 5.72415 5.1967 6.91569 numMergedOcc 0
16 mol 238 unq 1 iso 0 dist 6.75599 4.27675 6.32593 11.7348 6.53984 9.75174 5.98329 5.72415 5.1967 6.91569 numMergedOcc 0
17 mol 274 unq 0 iso 0 dist 9.04647 5.88732 7.24089 9.65265 5.56999 6.00877 6.93865 9.89613 4.05661 6.50589 numMergedOcc 0
18 mol 277 unq 0 iso 0 dist 7.91992 4.54209 9.42812 9.91594 16.2915 6.90434 7.78354 14.4323 9.14131 9.41725 numMergedOcc 0
