# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'C4J' 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 -1.32600 -2.93700 1.26600 1.000 C1 C -0.62400 -2.16900 0.40500 1.000 N2 N -2.67300 -2.74200 1.40400 1.000 C3 C -3.30500 -1.79300 0.68900 1.000 N4 N -2.63000 -1.01400 -0.17600 1.000 C5 C -1.30100 -1.17400 -0.34100 1.000 C6 C -3.43400 -3.57500 2.33800 1.000 C7 C 0.86100 -2.36800 0.23900 1.000 C8 C 1.16700 -2.85700 -1.19300 1.000 C9 C -3.34200 0.01100 -0.94300 1.000 C10 C 2.47100 -2.08500 -1.53300 1.000 C11 C -3.34500 1.32500 -0.15800 1.000 C12 C -4.08800 2.39600 -0.95800 1.000 C13 C -4.19700 3.65300 -0.13500 1.000 C14 C 2.22800 -0.75200 -0.78000 1.000 C15 C 3.56100 -0.07900 -0.44900 1.000 N16 N -3.34900 2.68400 -2.19500 1.000 O17 O -4.50300 -1.63800 0.82700 1.000 O18 O 1.38800 -4.26900 -1.21100 1.000 O19 O 3.62000 -2.76300 -1.02200 1.000 O20 O -5.14200 3.75400 0.81400 1.000 O21 O -3.43500 4.57000 -0.32800 1.000 O22 O -0.69000 -0.46900 -1.12300 1.000 O23 O 1.54200 -1.12200 0.42600 1.000 O24 O 3.31500 1.17100 0.19900 1.000 O25 O 5.41200 1.40900 1.58400 1.000 O26 O 5.31000 2.69300 -0.58700 1.000 P27 P 4.49400 2.15100 0.69100 1.000 H28 H -0.82600 -3.70400 1.83900 1.000 H29 H -3.44800 -3.10100 3.31900 1.000 H30 H -4.45600 -3.68800 1.97500 1.000 H31 H -2.96600 -4.55600 2.41500 1.000 H32 H 1.21900 -3.09900 0.96400 1.000 H33 H 0.36400 -2.58300 -1.87700 1.000 H34 H -2.84300 0.16100 -1.90000 1.000 H35 H -4.36900 -0.31100 -1.11500 1.000 H36 H 2.56100 -1.91900 -2.60600 1.000 H37 H -3.84300 1.17500 0.79900 1.000 H38 H -2.31800 1.64700 0.01400 1.000 H39 H -5.08700 2.03600 -1.20700 1.000 H40 H 1.60600 -0.08700 -1.38000 1.000 H41 H 4.13900 -0.72300 0.21300 1.000 H42 H 4.12000 0.09300 -1.36800 1.000 H43 H -2.42000 3.01900 -1.99200 1.000 H44 H -3.31800 1.87200 -2.79500 1.000 H45 H 1.58500 -4.62400 -2.08900 1.000 H46 H 3.74900 -3.64900 -1.38800 1.000 H47 H -5.17300 4.57900 1.31600 1.000 H48 H 4.76900 3.19000 -1.21600 1.000 O49 O 3.85900 3.39600 1.49000 1.000 H50 H 4.51300 4.02900 1.81600 1.000