# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '942' 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 5.64700 1.15800 1.85800 1.000 C1 C 4.58700 1.55900 0.83000 1.000 C2 C 3.54400 0.44500 0.71300 1.000 C3 C 2.48400 0.84500 -0.31500 1.000 N4 N 1.48600 -0.22200 -0.42700 1.000 C5 C 0.37600 -0.20800 0.38500 1.000 N6 N 0.19700 0.80100 1.30100 1.000 C7 C 1.65800 -1.20600 -1.32800 1.000 O8 O 2.64400 -1.19700 -2.04000 1.000 N9 N 0.76000 -2.19900 -1.45600 1.000 C10 C -0.34200 -2.23500 -0.68100 1.000 O11 O -1.14900 -3.14100 -0.80500 1.000 C12 C -0.55700 -1.21800 0.26800 1.000 N13 N -1.70500 -1.23300 1.08700 1.000 C14 C -1.90300 -2.31800 2.05100 1.000 O15 O -3.64700 -0.30100 1.63100 1.000 C16 C -1.36600 1.80000 -1.90500 1.000 C17 C -1.91600 3.03600 -1.61700 1.000 C18 C -2.69500 3.20700 -0.48600 1.000 C19 C -2.92700 2.14500 0.36200 1.000 C20 C -2.62000 -0.24900 0.98200 1.000 C21 C -2.37500 0.89500 0.07700 1.000 C22 C -1.59500 0.72800 -1.06800 1.000 H23 H 6.39000 1.95200 1.94200 1.000 H24 H 5.17300 1.00000 2.82700 1.000 H25 H 6.13400 0.23800 1.53700 1.000 H26 H 4.09900 2.48000 1.15100 1.000 H27 H 5.06100 1.71700 -0.13800 1.000 H28 H 4.03200 -0.47600 0.39200 1.000 H29 H 3.07000 0.28700 1.68100 1.000 H30 H 1.99700 1.76600 0.00600 1.000 H31 H 2.95800 1.00300 -1.28300 1.000 H32 H 0.79900 1.56200 1.30800 1.000 H33 H -0.53000 0.75100 1.94100 1.000 H34 H 0.90700 -2.89700 -2.11300 1.000 H35 H -1.49400 -2.02300 3.01800 1.000 H36 H -2.96900 -2.52100 2.15500 1.000 H37 H -1.39400 -3.21500 1.69900 1.000 H38 H -3.12100 4.17500 -0.26600 1.000 H39 H -3.53400 2.28000 1.24500 1.000 H40 H -1.73700 3.87200 -2.27700 1.000 H41 H -1.16600 -0.23700 -1.29400 1.000 H42 H -0.76000 1.67300 -2.79000 1.000