# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9DR' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy N0 N -4.22400 -0.73100 -1.98500 1.000 C1 C -5.38200 -0.83000 -1.34800 1.000 N2 N -5.49900 -0.55300 -0.05700 1.000 C3 C -4.45500 -0.16200 0.65500 1.000 C4 C -3.21300 -0.04300 0.03000 1.000 C5 C -3.12700 -0.34500 -1.34400 1.000 C6 C -4.36000 -1.11900 2.94100 1.000 C7 C 2.09500 4.65700 -0.80200 1.000 N8 N -6.50200 -1.23500 -2.05100 1.000 N9 N -1.92100 -0.24400 -2.01300 1.000 C10 C -1.11000 0.72200 1.36500 1.000 C11 C -2.05700 0.37800 0.76300 1.000 C12 C 5.87100 -2.23300 -0.96500 1.000 C13 C 4.54200 -3.37700 0.53500 1.000 C14 C 5.11000 -1.08900 -0.83700 1.000 C15 C 3.72900 -2.27800 0.72300 1.000 C16 C 1.57100 2.35400 0.51000 1.000 C17 C 2.06000 0.07200 1.04700 1.000 C18 C 3.45900 1.27200 -0.50700 1.000 C19 C -4.60400 0.15000 2.12200 1.000 C20 C 0.07800 1.15400 2.11900 1.000 N21 N 5.57200 -3.32500 -0.28900 1.000 O22 O 2.95700 3.53800 -1.01900 1.000 C23 C 1.27000 1.19400 1.19900 1.000 C24 C 2.66500 2.39500 -0.34300 1.000 C25 C 4.01000 -1.10000 0.02500 1.000 C26 C 3.16400 0.10700 0.19600 1.000 H27 H -3.35300 -1.48800 2.74800 1.000 H28 H -4.46900 -0.89300 4.00200 1.000 H29 H -5.08600 -1.88000 2.65500 1.000 H30 H 2.43900 5.50200 -1.40000 1.000 H31 H 1.07900 4.39600 -1.09500 1.000 H32 H 2.11100 4.92900 0.25300 1.000 H33 H -6.43300 -1.44100 -2.99700 1.000 H34 H -7.35700 -1.31200 -1.59900 1.000 H35 H -1.12400 0.03800 -1.53600 1.000 H36 H -1.87100 -0.45500 -2.95800 1.000 H37 H 6.72000 -2.23600 -1.63300 1.000 H38 H 4.33400 -4.29200 1.07000 1.000 H39 H 5.36100 -0.19800 -1.39400 1.000 H40 H 2.88800 -2.32800 1.39800 1.000 H41 H 0.95000 3.22900 0.63300 1.000 H42 H 1.82300 -0.83300 1.58700 1.000 H43 H 4.31000 1.30300 -1.17100 1.000 H44 H -3.87800 0.91100 2.40700 1.000 H45 H -5.61200 0.51900 2.31400 1.000 H46 H -0.09500 2.14700 2.53300 1.000 H47 H 0.26800 0.45100 2.93100 1.000