0 mol 29 unq 0 iso 0 dist 9.39717 8.00338 5.99096 9.70457 11.0215 5.99655 numMergedOcc 0
1 mol 32 unq 0 iso 0 dist 7.98414 8.35776 10.8132 4.64437 11.636 8.78511 numMergedOcc 0
2 mol 46 unq 0 iso 0 dist 6.35731 7.12713 3.57198 6.51519 5.43693 5.4713 numMergedOcc 0
3 mol 62 unq 0 iso 0 dist 7.88689 8.1717 4.32751 8.91835 12.5091 9.19512 numMergedOcc 0
4 mol 62 unq 1 iso 0 dist 8.95848 5.23167 5.85606 7.42892 11.7927 7.16844 numMergedOcc 0
5 mol 62 unq 2 iso 0 dist 9.15189 7.47607 5.85606 7.36253 11.7927 7.16844 numMergedOcc 0
6 mol 79 unq 0 iso 0 dist 7.54919 6.29801 5.88927 6.06978 10.6064 9.21761 numMergedOcc 0
7 mol 79 unq 1 iso 0 dist 9.12912 8.39378 5.88927 10.2073 10.6064 9.21761 numMergedOcc 0
8 mol 107 unq 0 iso 0 dist 8.92347 4.99934 8.49625 4.05182 11.6742 5.31375 numMergedOcc 0
9 mol 107 unq 1 iso 0 dist 8.92347 4.99934 8.49625 4.11617 5.33764 6.49371 numMergedOcc 0
10 mol 113 unq 0 iso 0 dist 5.7085 6.38269 6.29259 7.6316 9.30645 8.67025 numMergedOcc 0
11 mol 113 unq 1 iso 0 dist 5.7085 7.11196 7.08122 12.7927 15.7833 9.60127 numMergedOcc 0
12 mol 171 unq 0 iso 0 dist 8.53734 6.80203 8.77204 4.91613 7.47964 9.68512 numMergedOcc 0
13 mol 171 unq 1 iso 0 dist 6.08141 8.00826 8.77204 4.61696 7.47964 9.68512 numMergedOcc 0
14 mol 186 unq 0 iso 0 dist 8.96031 8.19926 16.0263 14.4294 22.5248 8.92135 numMergedOcc 0
15 mol 194 unq 0 iso 0 dist 7.27978 9.3032 3.7326 10.739 4.19371 4.45769 numMergedOcc 0
16 mol 194 unq 1 iso 0 dist 7.27978 9.3032 3.7326 16.8793 9.71015 8.99961 numMergedOcc 0
17 mol 225 unq 0 iso 0 dist 6.27438 9.02494 12.192 6.38826 10.7064 8.74463 numMergedOcc 0
18 mol 252 unq 0 iso 0 dist 6.7021 4.15692 3.99887 8.3996 8.09509 9.81261 numMergedOcc 0
