# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'IUY' 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 -1.16000 1.50700 -0.32800 1.000 C1 C -1.89700 1.08100 0.91100 1.000 C2 C 0.18100 1.53000 -0.40500 1.000 N3 N 0.96600 1.17200 0.66400 1.000 C4 C 0.83900 1.95800 -1.69200 1.000 C5 C -2.51300 -0.27600 0.68700 1.000 C6 C -3.88400 -0.43400 0.78200 1.000 C7 C -4.45500 -1.67400 0.57700 1.000 C8 C -3.64500 -2.77000 0.27300 1.000 C9 C -2.26200 -2.60300 0.17900 1.000 C10 C -1.70500 -1.35700 0.38100 1.000 C11 C -1.91000 1.89400 -1.46200 1.000 O12 O -1.34200 2.32400 -2.44900 1.000 O13 O -3.25500 1.78700 -1.44900 1.000 C14 C -3.94900 2.19700 -2.63000 1.000 C15 C -5.45400 2.00400 -2.42900 1.000 C16 C -4.23000 -4.05900 0.06000 1.000 N17 N -4.69400 -5.08200 -0.10900 1.000 N18 N -0.96600 1.01300 2.04200 1.000 C19 C 0.34500 1.05300 1.90400 1.000 N20 N 0.91400 0.96200 3.12700 1.000 C21 C -0.11300 0.86900 4.04000 1.000 C22 C -1.26500 0.90300 3.34200 1.000 C23 C 2.33600 0.93600 0.51200 1.000 C24 C 3.25900 1.80400 1.08200 1.000 C25 C 4.61200 1.56800 0.93000 1.000 C26 C 5.04700 0.47000 0.21100 1.000 C27 C 4.13100 -0.39600 -0.35700 1.000 C28 C 2.77700 -0.16900 -0.20400 1.000 C29 C 4.61000 -1.59100 -1.14000 1.000 F30 F 6.00900 -1.61100 -1.15100 1.000 F31 F 4.13100 -2.76200 -0.54300 1.000 F32 F 4.13500 -1.51000 -2.45300 1.000 H33 H -2.68300 1.80300 1.13300 1.000 H34 H 0.56700 2.99000 -1.91400 1.000 H35 H 1.92100 1.88100 -1.59000 1.000 H36 H 0.50400 1.31100 -2.50300 1.000 H37 H -4.51000 0.41400 1.01700 1.000 H38 H -5.52500 -1.79600 0.65200 1.000 H39 H -1.62900 -3.44700 -0.05500 1.000 H40 H -0.63600 -1.22600 0.30500 1.000 H41 H -3.74100 3.24800 -2.82700 1.000 H42 H -3.61500 1.59500 -3.47500 1.000 H43 H -5.66200 0.95200 -2.23200 1.000 H44 H -5.78800 2.60500 -1.58400 1.000 H45 H -5.98300 2.31600 -3.32900 1.000 H46 H 1.86300 0.96200 3.32500 1.000 H47 H -0.01400 0.78500 5.11200 1.000 H48 H -2.25900 0.85100 3.76000 1.000 H49 H 2.92000 2.66200 1.64300 1.000 H50 H 5.33000 2.24200 1.37300 1.000 H51 H 6.10500 0.28800 0.09300 1.000 H52 H 2.06200 -0.84800 -0.64500 1.000