# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'IA' 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 -7.40500 -1.17500 0.91200 1.000 C1 C -4.69500 -1.39300 0.38400 1.000 C2 C -6.74500 -2.36200 1.17600 1.000 C3 C -5.39600 -2.47800 0.91500 1.000 C4 C -6.71700 -0.09600 0.38600 1.000 C5 C -5.36400 -0.19700 0.12600 1.000 C6 C -3.24800 -1.51000 0.10300 1.000 C7 C -1.09400 -1.03500 -0.06000 1.000 C8 C -1.33900 -2.33900 -0.53400 1.000 C9 C -0.27400 -3.11300 -1.01200 1.000 C10 C 0.99000 -2.60700 -1.01800 1.000 C11 C 1.24000 -1.31100 -0.54900 1.000 C12 C 0.19400 -0.52800 -0.06400 1.000 N13 N -2.31900 -0.53300 0.33600 1.000 N14 N -2.66200 -2.56600 -0.40800 1.000 C15 C 2.61700 -0.77500 -0.56300 1.000 C16 C 4.82000 -0.63200 -0.38300 1.000 C17 C 4.28900 0.60700 -0.78500 1.000 C18 C 5.14900 1.68800 -1.00400 1.000 C19 C 6.49400 1.53600 -0.82600 1.000 C20 C 7.02400 0.31000 -0.42700 1.000 C21 C 6.18900 -0.77400 -0.21100 1.000 N22 N 3.74400 -1.48800 -0.24900 1.000 N23 N 2.94400 0.45500 -0.87700 1.000 N24 N 8.40300 0.17300 -0.25000 1.000 N25 N 10.75200 1.13600 1.11900 1.000 C26 C 8.62300 -0.07200 1.18100 1.000 C27 C 10.12300 -0.14600 1.46700 1.000 C28 C 10.50700 1.42800 -0.30000 1.000 C29 C 9.00000 1.47800 -0.55800 1.000 C30 C 12.19800 1.05400 1.36000 1.000 I31 I -7.72600 1.69700 -0.00900 1.000 H32 H -8.46200 -1.09000 1.11800 1.000 H33 H -7.28900 -3.20100 1.58600 1.000 H34 H -4.88200 -3.40500 1.12000 1.000 H35 H -4.82800 0.64600 -0.28500 1.000 H36 H -0.45600 -4.11400 -1.37600 1.000 H37 H 1.80700 -3.20900 -1.38900 1.000 H38 H 0.38700 0.46900 0.30300 1.000 H39 H -2.48800 0.34600 0.71000 1.000 H40 H 4.74900 2.64200 -1.31300 1.000 H41 H 7.15400 2.37400 -0.99600 1.000 H42 H 6.60200 -1.72500 0.09200 1.000 H43 H 3.78000 -2.42000 0.01800 1.000 H44 H 10.35600 1.87000 1.68700 1.000 H45 H 8.18300 0.74000 1.75900 1.000 H46 H 8.15200 -1.01400 1.46300 1.000 H47 H 10.56800 -0.94200 0.86900 1.000 H48 H 10.28200 -0.35400 2.52500 1.000 H49 H 10.95100 2.39100 -0.55500 1.000 H50 H 10.95500 0.64800 -0.91500 1.000 H51 H 8.54900 2.24200 0.07500 1.000 H52 H 8.81900 1.72200 -1.60500 1.000 H53 H 12.66400 2.00500 1.10100 1.000 H54 H 12.37900 0.83600 2.41300 1.000 H55 H 12.62500 0.26100 0.74600 1.000