# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '085' 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 -2.43100 1.78900 0.42400 1.000 C1 C -3.69300 2.33700 0.30500 1.000 O2 O -4.25500 3.44400 0.87500 1.000 C3 C -5.67600 3.28000 0.71300 1.000 O4 O -5.79500 2.46000 -0.46500 1.000 C5 C -4.64100 1.73200 -0.52000 1.000 C6 C -4.31900 0.57800 -1.22000 1.000 C7 C -3.06100 0.02500 -1.10500 1.000 C8 C -2.10600 0.62700 -0.28100 1.000 C9 C -0.75700 0.04100 -0.16100 1.000 N10 N 0.43800 0.71500 -0.19800 1.000 C11 C 1.43000 -0.21400 -0.04900 1.000 C12 C 2.87800 0.07600 -0.03000 1.000 C13 C 3.32900 1.39200 -0.16400 1.000 C14 C 4.67400 1.66100 -0.14600 1.000 C15 C 3.79700 -0.96500 0.13000 1.000 C16 C 5.14100 -0.69600 0.14800 1.000 C17 C 5.59300 0.61900 0.00700 1.000 C18 C 7.04100 0.90900 0.02700 1.000 O19 O 7.43400 2.05300 -0.09100 1.000 N20 N 7.92700 -0.09600 0.17500 1.000 N21 N 0.89000 -1.40500 0.07400 1.000 C22 C -0.44600 -1.29900 0.01700 1.000 C23 C -1.41500 -2.41400 0.12200 1.000 C24 C -1.02100 -3.70800 -0.21900 1.000 C25 C -1.93800 -4.73800 -0.11500 1.000 C26 C -3.22100 -4.44300 0.32700 1.000 C27 C -3.54400 -3.13800 0.64800 1.000 N28 N -2.65100 -2.17500 0.54500 1.000 H29 H -1.69400 2.25900 1.05900 1.000 H30 H -6.10400 2.77200 1.57700 1.000 H31 H -5.05500 0.11200 -1.85800 1.000 H32 H -2.81300 -0.87300 -1.65200 1.000 H33 H 0.55700 1.67100 -0.30900 1.000 H34 H 2.61900 2.19700 -0.28300 1.000 H35 H 5.02300 2.67800 -0.25100 1.000 H36 H 3.44800 -1.98100 0.23900 1.000 H37 H 5.85100 -1.50100 0.27100 1.000 H38 H 7.61400 -1.00900 0.26900 1.000 H39 H 8.87800 0.09400 0.18800 1.000 H40 H -0.01500 -3.90200 -0.56000 1.000 H41 H -1.66200 -5.75000 -0.37200 1.000 H42 H -3.95900 -5.22600 0.41900 1.000 H43 H -4.54100 -2.90600 0.99200 1.000 H44 H -6.15800 4.24600 0.56000 1.000