# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '0JK' 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 -3.32400 0.68000 -0.81100 1.000 C1 C -4.22100 -0.20600 -0.19500 1.000 C2 C -5.53600 0.18300 0.12100 1.000 C3 C -6.35300 -0.73300 0.71900 1.000 C4 C -5.87700 -2.01200 1.00000 1.000 N5 N -4.65100 -2.37100 0.70500 1.000 C6 C -3.80000 -1.52300 0.11900 1.000 C7 C -2.48700 -1.91300 -0.19600 1.000 C8 C -1.64400 -1.02800 -0.79300 1.000 C9 C -2.06100 0.26400 -1.10500 1.000 C10 C -1.09900 1.21700 -1.76700 1.000 N11 N -0.35700 1.95300 -0.74000 1.000 C12 C 0.81400 1.58000 -0.18100 1.000 C13 C 1.69400 0.41900 -0.37600 1.000 O14 O 1.52400 -0.36400 -1.29100 1.000 N15 N -0.70200 3.08100 -0.20900 1.000 N16 N 0.17400 3.46400 0.66000 1.000 C17 C 1.14200 2.57300 0.72000 1.000 C18 C 2.40800 2.51300 1.53000 1.000 C19 C 2.79200 1.04700 1.73900 1.000 N20 N 2.70500 0.26400 0.51200 1.000 C21 C 3.70000 -0.68000 0.24300 1.000 C22 C 4.57500 -0.48600 -0.81900 1.000 C23 C 5.55700 -1.42000 -1.08200 1.000 C24 C 5.67100 -2.54800 -0.29000 1.000 C25 C 4.80200 -2.74400 0.76800 1.000 C26 C 3.82000 -1.81100 1.03900 1.000 H27 H -3.63500 1.68600 -1.05400 1.000 H28 H -5.88900 1.17900 -0.10400 1.000 H29 H -7.36800 -0.46600 0.97500 1.000 H30 H -6.53400 -2.72600 1.47400 1.000 H31 H -2.14900 -2.91300 0.03600 1.000 H32 H -0.63600 -1.33300 -1.03200 1.000 H33 H -0.40100 0.65600 -2.38800 1.000 H34 H -1.65400 1.92000 -2.38800 1.000 H35 H 3.20800 3.02700 0.99600 1.000 H36 H 2.24700 2.99000 2.49700 1.000 H37 H 3.81300 1.00000 2.11500 1.000 H38 H 2.12300 0.61000 2.48100 1.000 H39 H 4.48600 0.39500 -1.43800 1.000 H40 H 6.23700 -1.27000 -1.90800 1.000 H41 H 6.44000 -3.27700 -0.49800 1.000 H42 H 4.89200 -3.62600 1.38400 1.000 H43 H 3.14500 -1.96300 1.86800 1.000