# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'IB' 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 7.04300 1.01000 -0.40800 1.000 C1 C 4.29200 1.24100 -0.16100 1.000 C2 C 6.42400 2.22900 -0.65900 1.000 C3 C 5.05700 2.34800 -0.53700 1.000 C4 C 6.28500 -0.09400 -0.03800 1.000 C5 C 4.91700 0.01800 0.09100 1.000 O6 O 8.39100 0.89700 -0.53000 1.000 C7 C 2.82600 1.36500 -0.02800 1.000 C8 C 0.66100 0.91800 -0.12600 1.000 C9 C 0.86700 2.18500 0.45300 1.000 C10 C -0.23400 2.94600 0.86400 1.000 C11 C -1.49700 2.46200 0.70400 1.000 C12 C -1.70900 1.20200 0.12900 1.000 C13 C -0.62400 0.43100 -0.28600 1.000 N14 N 1.91700 0.42000 -0.42100 1.000 N15 N 2.19900 2.39500 0.48900 1.000 C16 C -3.08500 0.69000 -0.03900 1.000 C17 C -5.21600 0.22200 0.34400 1.000 C18 C -4.82700 -0.29100 -0.90700 1.000 C19 C -5.76000 -0.97900 -1.69000 1.000 C20 C -7.03700 -1.14700 -1.24000 1.000 C21 C -7.42600 -0.63900 -0.00200 1.000 C22 C -6.51700 0.04400 0.79000 1.000 N23 N -4.09700 0.83800 0.87300 1.000 N24 N -3.52200 0.03100 -1.08400 1.000 N25 N -8.73800 -0.82100 0.44400 1.000 N26 N -11.53700 -0.40600 -0.11100 1.000 C27 C -9.44000 -1.57000 -0.60400 1.000 C28 C -10.91300 -1.73200 -0.22400 1.000 C29 C -10.82300 0.38300 0.90100 1.000 C30 C -9.35200 0.51200 0.50300 1.000 C31 C -12.94300 -0.55800 0.28700 1.000 I32 I 7.22400 -1.92900 0.33900 1.000 C33 C 8.87900 2.18100 -0.92300 1.000 H34 H 7.01600 3.08400 -0.95100 1.000 H35 H 4.57700 3.29500 -0.73300 1.000 H36 H 4.32900 -0.83900 0.38300 1.000 H37 H -0.08200 3.91900 1.30800 1.000 H38 H -2.34300 3.05400 1.02200 1.000 H39 H -0.78600 -0.54000 -0.72900 1.000 H40 H 2.11600 -0.43700 -0.83000 1.000 H41 H -5.46900 -1.37700 -2.65200 1.000 H42 H -7.75400 -1.67900 -1.84900 1.000 H43 H -6.82000 0.43600 1.74900 1.000 H44 H -4.04000 1.29000 1.72900 1.000 H45 H -11.48800 0.06600 -1.00200 1.000 H46 H -9.36600 -1.03000 -1.54800 1.000 H47 H -8.98400 -2.55400 -0.71400 1.000 H48 H -11.42500 -2.31100 -0.99200 1.000 H49 H -10.98600 -2.25000 0.73200 1.000 H50 H -11.26900 1.37600 0.96900 1.000 H51 H -10.89600 -0.11500 1.86800 1.000 H52 H -8.82800 1.12000 1.24000 1.000 H53 H -9.28100 0.98700 -0.47500 1.000 H54 H -12.99500 -1.06700 1.24900 1.000 H55 H -13.40500 0.42500 0.37000 1.000 H56 H -13.47100 -1.14600 -0.46400 1.000 H57 H 9.96300 2.13900 -1.03400 1.000 H58 H 8.42800 2.46600 -1.87300 1.000 H59 H 8.62000 2.91700 -0.16200 1.000