0 mol 46 unq 0 iso 0 dist 6.35731 7.12713 3.57198 6.51519 5.43693 5.4713 numMergedOcc 0
1 mol 93 unq 0 iso 0 dist 8.6701 8.345 12.3169 13.086 9.19977 19.1883 numMergedOcc 0
2 mol 93 unq 1 iso 0 dist 8.6701 6.06155 9.11323 13.086 9.19977 15.797 numMergedOcc 0
3 mol 93 unq 2 iso 0 dist 6.85457 8.345 11.9244 13.086 7.28831 19.1883 numMergedOcc 0
4 mol 93 unq 3 iso 0 dist 6.85457 6.06155 8.52329 13.086 7.28831 15.797 numMergedOcc 0
5 mol 96 unq 0 iso 0 dist 9.46918 7.40983 6.53944 5.54189 9.13187 10.7891 numMergedOcc 0
6 mol 98 unq 0 iso 0 dist 9.66226 5.61418 13.4478 4.54306 9.25444 8.77044 numMergedOcc 0
7 mol 98 unq 1 iso 0 dist 9.66226 5.61418 13.4478 10.9661 9.84703 15.1693 numMergedOcc 0
8 mol 107 unq 0 iso 0 dist 8.92347 4.99934 8.49625 4.11617 5.33764 6.49371 numMergedOcc 0
9 mol 113 unq 0 iso 0 dist 5.7085 6.38269 6.29259 7.6316 9.30645 8.67025 numMergedOcc 0
10 mol 113 unq 1 iso 0 dist 5.7085 7.11196 7.08122 7.6316 9.30645 11.1678 numMergedOcc 0
11 mol 171 unq 0 iso 0 dist 8.53734 6.80203 8.77204 4.91613 7.47964 9.68512 numMergedOcc 0
12 mol 171 unq 1 iso 0 dist 6.08141 8.00826 8.77204 4.61696 7.47964 9.68512 numMergedOcc 0
13 mol 194 unq 0 iso 0 dist 7.27978 9.3032 3.7326 10.739 4.19371 4.45769 numMergedOcc 0
14 mol 194 unq 1 iso 0 dist 7.27978 9.3032 3.7326 16.8793 9.71015 8.99961 numMergedOcc 0
15 mol 252 unq 0 iso 0 dist 6.7021 4.15692 3.99887 8.3996 8.09509 9.81261 numMergedOcc 0
16 mol 278 unq 0 iso 0 dist 8.31165 8.69111 8.79088 13.816 7.67837 16.4606 numMergedOcc 0
17 mol 292 unq 0 iso 0 dist 5.54272 7.61675 3.60378 4.77692 8.62162 11.2704 numMergedOcc 0
