# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '968' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy O0 O -2.78800 2.75000 0.29600 1.000 C1 C -2.03000 1.63900 0.35100 1.000 O2 O -2.26400 0.78600 1.18100 1.000 C3 C -0.90200 1.45800 -0.60700 1.000 O4 O -0.66800 2.31200 -1.43800 1.000 N5 N -0.14400 0.34500 -0.55200 1.000 C6 C 0.90800 0.17600 -1.44800 1.000 C7 C 2.20700 0.48300 -1.06500 1.000 C8 C 3.24900 0.31500 -1.95400 1.000 C9 C 3.00900 -0.16000 -3.23300 1.000 C10 C 1.72700 -0.47100 -3.63200 1.000 C11 C 0.66300 -0.31200 -2.74100 1.000 C12 C -0.71000 -0.64200 -3.16000 1.000 O13 O -1.64600 -0.39800 -2.42400 1.000 O14 O -0.92900 -1.21400 -4.36000 1.000 C15 C -0.41300 -0.63600 0.40100 1.000 C16 C -1.18800 -1.72800 0.07500 1.000 C17 C -1.46200 -2.71300 1.02000 1.000 C18 C -0.97400 -2.62600 2.28800 1.000 C19 C -0.18000 -1.52800 2.66100 1.000 C20 C 0.33500 -1.41300 3.96500 1.000 C21 C 1.10000 -0.33800 4.29500 1.000 C22 C 1.38200 0.65800 3.35600 1.000 O23 O 2.14900 1.72000 3.71600 1.000 C24 C 0.89300 0.57900 2.08300 1.000 C25 C 0.10500 -0.51900 1.70900 1.000 H26 H -3.51900 2.86800 0.91800 1.000 H27 H 2.40200 0.85500 -0.06900 1.000 H28 H 4.25700 0.55600 -1.65100 1.000 H29 H 3.83200 -0.28900 -3.92100 1.000 H30 H 1.54600 -0.84200 -4.63000 1.000 H31 H -1.83000 -1.43100 -4.63600 1.000 H32 H -1.58600 -1.82200 -0.92300 1.000 H33 H -2.07100 -3.56000 0.74200 1.000 H34 H -1.19700 -3.40000 3.00700 1.000 H35 H 0.12500 -2.17600 4.70000 1.000 H36 H 1.49400 -0.25300 5.29700 1.000 H37 H 3.06700 1.47900 3.53000 1.000 H38 H 1.11400 1.35700 1.36700 1.000