0 mol 43 unq 0 iso 0 dist 8.38387 7.67926 9.74445 6.35048 9.83618 12.8035 11.1748 9.69698 8.58709 16.4993 numMergedOcc 0
1 mol 43 unq 1 iso 0 dist 8.38387 7.67926 9.74445 6.35048 9.83618 12.8035 11.0563 5.90113 7.53564 14.2386 numMergedOcc 0
2 mol 54 unq 0 iso 0 dist 5.97635 4.94741 5.59773 8.98505 5.02241 10.352 8.34361 5.65405 6.10175 8.41365 numMergedOcc 0
3 mol 126 unq 0 iso 0 dist 8.32241 9.63225 9.54928 4.56139 7.75534 13.0595 10.6754 5.50061 9.40608 10.8729 numMergedOcc 0
4 mol 131 unq 0 iso 0 dist 7.81337 6.68239 8.97145 6.25099 6.91348 10.4276 7.46875 5.29825 5.50364 10.1792 numMergedOcc 0
5 mol 131 unq 1 iso 0 dist 7.81337 6.68239 8.97145 14.8295 9.51418 14.8011 7.46875 5.29825 5.50364 13.4104 numMergedOcc 0
6 mol 131 unq 2 iso 0 dist 7.81337 7.74794 6.5874 6.25099 6.91348 4.96935 7.46875 5.29825 8.7301 10.1792 numMergedOcc 0
7 mol 131 unq 3 iso 0 dist 7.81337 7.74794 6.5874 14.8295 9.51418 7.83921 7.46875 5.29825 8.7301 13.4104 numMergedOcc 0
8 mol 152 unq 0 iso 0 dist 8.07256 8.50267 9.10619 6.51591 9.13561 10.5988 12.9009 9.50073 8.84852 16.6251 numMergedOcc 0
9 mol 214 unq 0 iso 0 dist 9.51764 15.3761 8.49704 6.09245 6.97182 13.4309 14.1717 5.68711 5.69733 12.4978 numMergedOcc 0
10 mol 214 unq 1 iso 0 dist 9.51764 15.3761 8.49704 10.8345 6.1175 13.5787 14.1717 5.68711 5.69733 11.0481 numMergedOcc 0
11 mol 214 unq 2 iso 0 dist 5.36829 8.72971 8.49704 8.69149 6.97182 13.4309 7.71569 5.68711 5.69733 12.4978 numMergedOcc 0
12 mol 214 unq 3 iso 0 dist 5.36829 8.72971 8.49704 6.00706 6.1175 13.5787 7.71569 5.68711 5.69733 11.0481 numMergedOcc 0
13 mol 238 unq 0 iso 0 dist 6.24928 9.87348 9.75174 6.66018 6.91569 5.1967 10.4038 6.53984 6.32593 5.72415 numMergedOcc 0
14 mol 249 unq 0 iso 0 dist 6.37672 11.3437 7.29898 10.4294 8.83735 4.16447 14.6348 8.68833 5.66519 9.72224 numMergedOcc 0
15 mol 249 unq 1 iso 0 dist 6.37672 13.0712 8.91685 10.4294 8.83735 6.74838 14.6348 8.68833 6.50067 9.72224 numMergedOcc 0
16 mol 249 unq 2 iso 0 dist 8.94023 11.2158 7.29898 9.10124 8.83735 4.16447 15.7594 8.68833 5.66519 9.72224 numMergedOcc 0
17 mol 249 unq 3 iso 0 dist 8.94023 13.8209 8.91685 9.10124 8.83735 6.74838 15.7594 8.68833 6.50067 9.72224 numMergedOcc 0
18 mol 257 unq 0 iso 0 dist 7.82899 5.95774 5.36776 7.37187 7.14834 9.09314 11.093 5.99362 5.65496 12.5207 numMergedOcc 0
19 mol 274 unq 0 iso 0 dist 9.65265 5.88732 6.00877 6.93865 6.50589 4.05661 9.04647 5.56999 7.24089 9.89613 numMergedOcc 0
20 mol 274 unq 1 iso 0 dist 9.65265 5.88732 6.00877 6.93865 6.50589 4.05661 12.897 10.2696 9.29005 13.0653 numMergedOcc 0
21 mol 274 unq 2 iso 0 dist 9.65265 10.5583 8.66451 6.93865 6.50589 7.47324 12.897 10.2696 8.16746 13.0653 numMergedOcc 0
22 mol 277 unq 0 iso 0 dist 9.29635 15.5244 6.90434 13.8592 9.41725 9.14131 24.5235 16.2915 9.42812 14.4323 numMergedOcc 0
