# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9U5' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C0 C -1.29300 1.60500 0.09100 1.000 C1 C -6.41500 1.56300 -1.42800 1.000 C2 C -0.64600 0.36500 0.05300 1.000 C3 C -1.39800 -0.81300 0.02900 1.000 C4 C -2.94500 -3.04200 0.95800 1.000 C5 C -3.57600 -2.02500 0.00600 1.000 C6 C -4.99800 -1.78500 0.41700 1.000 C7 C -5.53500 -0.58800 0.45100 1.000 C8 C -3.55600 -2.58900 -1.41600 1.000 C9 C -5.49700 1.79100 -0.22500 1.000 C10 C -6.33200 2.24500 0.97500 1.000 N11 N -4.80600 0.54200 0.10600 1.000 C12 C -2.66800 1.65800 0.10700 1.000 C13 C -2.77600 -0.75200 0.04300 1.000 C14 C -3.41300 0.48400 0.07900 1.000 C15 C 0.78500 0.30300 0.03800 1.000 C16 C 1.95800 0.25200 0.02500 1.000 C17 C 3.38800 0.18900 0.01000 1.000 C18 C 4.03500 -1.05200 -0.02800 1.000 C19 C 5.39800 -1.11100 -0.04300 1.000 C20 C 6.15000 0.06900 -0.01900 1.000 C21 C 5.50500 1.30900 0.02000 1.000 C22 C 4.14100 1.37000 0.02700 1.000 C23 C 7.62300 0.00500 -0.03400 1.000 O24 O 8.18400 -1.07300 -0.06700 1.000 O25 O 8.34700 1.14100 -0.01100 1.000 H26 H -0.71500 2.51700 0.11200 1.000 H27 H -6.92900 2.49300 -1.67300 1.000 H28 H -5.82000 1.24000 -2.28200 1.000 H29 H -7.14900 0.79500 -1.18400 1.000 H30 H -0.90100 -1.77100 -0.00100 1.000 H31 H -1.91500 -3.23400 0.65500 1.000 H32 H -2.95600 -2.64600 1.97400 1.000 H33 H -3.51200 -3.97200 0.92500 1.000 H34 H -5.60600 -2.63300 0.69700 1.000 H35 H -6.56700 -0.48000 0.75100 1.000 H36 H -4.12200 -3.52000 -1.44500 1.000 H37 H -4.00500 -1.86900 -2.09900 1.000 H38 H -2.52600 -2.78100 -1.71500 1.000 H39 H -4.76300 2.55900 -0.46800 1.000 H40 H -5.67800 2.40700 1.83200 1.000 H41 H -6.84600 3.17400 0.72900 1.000 H42 H -7.06600 1.47700 1.21800 1.000 H43 H -3.17000 2.61400 0.14100 1.000 H44 H 3.45400 -1.96300 -0.04600 1.000 H45 H 5.89700 -2.06800 -0.07200 1.000 H46 H 6.08500 2.22000 0.03900 1.000 H47 H 3.64300 2.32700 0.05700 1.000 H48 H 9.31000 1.04800 -0.02200 1.000