# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'JPY' 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 -5.33200 1.06900 -1.63500 1.000 C1 C -4.70100 0.53600 -0.37400 1.000 O2 O -5.32400 0.54400 0.66600 1.000 N3 N -3.44400 0.04900 -0.40300 1.000 C4 C -2.83100 -0.46900 0.82300 1.000 C5 C -1.43400 -0.94800 0.52200 1.000 C6 C -0.32300 0.01400 0.42100 1.000 C7 C 1.01900 -0.52100 0.12400 1.000 C8 C -0.48900 1.30500 0.58200 1.000 C9 C 0.66800 2.21900 0.46700 1.000 C10 C 1.86000 1.73900 0.20300 1.000 C11 C 3.05200 2.59500 0.07600 1.000 C12 C 4.21700 2.04500 -0.19100 1.000 C13 C 4.39000 0.59700 -0.36900 1.000 C14 C 3.38500 -0.24100 -0.27400 1.000 C15 C 2.04000 0.28600 0.02300 1.000 C16 C 3.56300 -1.69100 -0.45400 1.000 C17 C 2.53100 -2.50700 -0.35000 1.000 C18 C 1.19100 -1.97400 -0.05500 1.000 C19 C 0.14400 -2.75700 0.05500 1.000 C20 C -1.19400 -2.23100 0.35300 1.000 H21 H -6.34200 1.41500 -1.41700 1.000 H22 H -4.73700 1.89800 -2.01600 1.000 H23 H -5.37200 0.27700 -2.38300 1.000 H24 H -2.94600 0.04200 -1.23500 1.000 H25 H -2.79000 0.32300 1.57100 1.000 H26 H -3.42600 -1.29900 1.20400 1.000 H27 H -1.47000 1.70100 0.79800 1.000 H28 H 0.53100 3.28200 0.59900 1.000 H29 H 2.97000 3.66500 0.19900 1.000 H30 H 5.08200 2.68400 -0.28200 1.000 H31 H 5.37500 0.21100 -0.58700 1.000 H32 H 4.54400 -2.08900 -0.67000 1.000 H33 H 2.67000 -3.56900 -0.48400 1.000 H34 H 0.27000 -3.82200 -0.07600 1.000 H35 H -2.01800 -2.92600 0.43200 1.000