# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'J2Y' 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 -0.67800 2.92500 0.01200 1.000 C1 C -1.72600 0.86700 0.05000 1.000 C2 C 1.97700 -1.34400 0.16800 1.000 C3 C -1.87700 3.58100 0.24900 1.000 C4 C -3.04600 2.83600 0.39100 1.000 C5 C -2.96700 1.46000 0.29000 1.000 C6 C 5.54300 -0.73200 0.50200 1.000 C7 C 1.08400 0.33300 -1.30500 1.000 C8 C 2.36300 0.82600 -1.45100 1.000 C9 C -0.67200 5.63000 0.18600 1.000 C10 C -2.72800 -1.57100 0.05600 1.000 C11 C -2.15200 -2.84200 -0.12000 1.000 C12 C -2.97300 -3.96700 -0.05500 1.000 C13 C -4.32300 -3.78100 0.18100 1.000 C14 C -4.82100 -2.49800 0.34400 1.000 N15 N -4.03300 -1.44700 0.28000 1.000 C16 C -1.62700 -0.60400 -0.06000 1.000 C17 C -0.48200 -1.33900 -0.29400 1.000 N18 N -0.80200 -2.67300 -0.33300 1.000 C19 C 0.87200 -0.77900 -0.47800 1.000 N20 N 3.38100 0.27400 -0.81700 1.000 C21 C 3.22900 -0.78100 -0.03100 1.000 N22 N -0.63400 1.61200 -0.07900 1.000 N23 N 4.34100 -1.33200 0.60600 1.000 O24 O 5.67800 0.23400 -0.21900 1.000 C25 C 6.71900 -1.26100 1.28100 1.000 O26 O -1.91200 4.93700 0.34200 1.000 H27 H 0.23000 3.49900 -0.10300 1.000 H28 H 1.85600 -2.20100 0.81300 1.000 H29 H -3.99200 3.32300 0.57600 1.000 H30 H -3.85300 0.85200 0.39400 1.000 H31 H 0.25700 0.79700 -1.82100 1.000 H32 H 2.53400 1.68200 -2.08700 1.000 H33 H -0.25700 5.41400 -0.79900 1.000 H34 H -0.84000 6.70200 0.28300 1.000 H35 H 0.02800 5.30100 0.95500 1.000 H36 H -2.56400 -4.95800 -0.18600 1.000 H37 H -4.98500 -4.63200 0.23600 1.000 H38 H -5.87600 -2.35800 0.52800 1.000 H39 H -0.16900 -3.39200 -0.48300 1.000 H40 H 4.24900 -2.14700 1.12300 1.000 H41 H 7.59800 -0.65200 1.07000 1.000 H42 H 6.49700 -1.22100 2.34700 1.000 H43 H 6.91400 -2.29300 0.98900 1.000