# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '94I' 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 -0.14800 -0.35100 0.08200 1.000 C1 C -0.52700 -2.76500 -0.47400 1.000 C2 C -2.42000 -3.83000 0.27500 1.000 C3 C 1.26500 1.94200 -0.04400 1.000 C4 C -2.72600 0.21100 -1.13800 1.000 C5 C -4.08500 -0.25600 -0.88700 1.000 C6 C -5.05900 0.92300 -0.66400 1.000 C7 C -2.60700 2.35000 -0.09000 1.000 C8 C -3.84100 2.61200 0.79400 1.000 C9 C 5.36000 -0.66600 0.00700 1.000 N10 N -0.06000 2.01300 -0.05600 1.000 N11 N 3.98200 -0.59100 -0.00600 1.000 N12 N 5.98200 -1.89100 -0.04100 1.000 O13 O 4.03600 1.62800 0.09300 1.000 C14 C 3.37200 0.61000 0.04100 1.000 N15 N 6.07100 0.42400 0.06300 1.000 C16 C 1.90100 0.69000 0.02700 1.000 N17 N 1.17300 -0.42300 0.08800 1.000 N18 N 2.02000 3.09800 -0.10800 1.000 C19 C -0.78500 0.90500 0.00500 1.000 C20 C -0.95800 -1.59000 0.14900 1.000 N21 N -1.28100 -3.84700 -0.38900 1.000 N22 N -2.86500 -2.74300 0.87300 1.000 C23 C -2.17400 -1.61600 0.83800 1.000 N24 N -2.16400 0.97900 -0.00700 1.000 C25 C -4.86300 1.45800 0.72900 1.000 H26 H 0.40400 -2.78600 -1.02000 1.000 H27 H -3.01000 -4.73300 0.32500 1.000 H28 H -2.08800 -0.65200 -1.32700 1.000 H29 H -2.73000 0.84500 -2.02400 1.000 H30 H -4.42400 -0.84000 -1.74300 1.000 H31 H -4.85200 1.70900 -1.39000 1.000 H32 H -2.85800 2.57900 -1.12600 1.000 H33 H -1.79700 3.00400 0.23200 1.000 H34 H -3.51600 2.73700 1.82700 1.000 H35 H -4.32400 3.53100 0.46300 1.000 H36 H 3.45300 -1.40300 -0.04800 1.000 H37 H 5.45300 -2.70200 -0.08300 1.000 H38 H 6.95100 -1.94300 -0.03200 1.000 H39 H 7.04000 0.37100 0.07200 1.000 H40 H 1.58500 3.95400 -0.23900 1.000 H41 H 2.98500 3.05200 -0.02100 1.000 H42 H -2.54400 -0.73000 1.33300 1.000 H43 H -5.82100 1.81600 1.10500 1.000 H44 H -4.51800 0.64700 1.37000 1.000 H45 H -4.08600 -0.89000 -0.00100 1.000 H46 H -6.08500 0.57600 -0.78300 1.000