0 mol 34 unq 0 iso 0 dist 9.76059 9.81068 9.36424 12.6645 5.31195 9.58596 numMergedOcc 0
1 mol 34 unq 1 iso 0 dist 8.8197 11.2894 9.36424 9.06898 5.31195 9.58596 numMergedOcc 0
2 mol 41 unq 0 iso 0 dist 7.41523 8.02771 5.52067 15.3761 9.95354 7.56029 numMergedOcc 0
3 mol 93 unq 0 iso 0 dist 5.77804 3.74136 7.85041 9.43355 12.1673 7.8435 numMergedOcc 0
4 mol 93 unq 1 iso 0 dist 5.77804 3.74136 7.85041 5.64141 7.30779 5.99269 numMergedOcc 0
5 mol 93 unq 2 iso 0 dist 5.77804 3.74136 7.85041 5.46186 9.18194 5.71763 numMergedOcc 0
6 mol 130 unq 0 iso 0 dist 9.02079 4.91324 5.38314 13.0221 5.46642 8.24966 numMergedOcc 0
7 mol 147 unq 0 iso 0 dist 7.9061 5.78019 5.1101 8.73613 11.4653 9.43989 numMergedOcc 0
8 mol 147 unq 1 iso 0 dist 4.48898 5.78019 7.01133 8.73613 7.68412 9.43989 numMergedOcc 0
9 mol 147 unq 2 iso 0 dist 6.36426 4.52246 5.1101 11.9772 11.4653 9.43989 numMergedOcc 0
10 mol 147 unq 3 iso 0 dist 7.06711 4.52246 7.01133 11.9772 7.68412 9.43989 numMergedOcc 0
11 mol 147 unq 4 iso 0 dist 7.6489 5.88056 5.1101 15.2832 11.4653 9.43989 numMergedOcc 0
12 mol 158 unq 0 iso 0 dist 7.63085 4.19444 6.39981 6.68721 9.88872 6.11331 numMergedOcc 0
13 mol 178 unq 0 iso 0 dist 8.71031 6.72936 5.98771 5.4647 5.88866 8.25282 numMergedOcc 0
14 mol 182 unq 0 iso 0 dist 6.76894 6.38456 8.89822 7.75041 6.81586 7.88014 numMergedOcc 0
15 mol 193 unq 0 iso 0 dist 9.06161 10.5008 8.76185 15.4572 14.0247 7.39445 numMergedOcc 0
16 mol 205 unq 0 iso 0 dist 9.70674 14.4882 9.83885 19.2865 13.4094 7.53395 numMergedOcc 0
17 mol 225 unq 0 iso 0 dist 7.21089 6.64709 7.95883 9.86694 5.65395 9.22269 numMergedOcc 0
18 mol 235 unq 0 iso 0 dist 7.79898 12.3715 9.31673 12.1601 4.47008 9.11454 numMergedOcc 0
19 mol 238 unq 0 iso 0 dist 9.13022 13.402 7.61203 10.1672 9.75095 6.53286 numMergedOcc 0
20 mol 285 unq 0 iso 0 dist 7.78881 8.4162 5.80415 11.5892 4.3249 8.94601 numMergedOcc 0
