# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'I52' 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 2.02100 0.06500 12.14000 1.000 C1 C 2.06600 0.54700 13.59200 1.000 C2 C 0.88800 0.78100 11.40100 1.000 C3 C -0.28900 1.01400 9.21000 1.000 C4 C 0.84300 0.29900 9.94900 1.000 C5 C -2.09700 -1.23500 -6.06500 1.000 C6 C -3.75300 0.59300 -5.67200 1.000 N7 N 1.91200 0.77800 -6.26000 1.000 C8 C 0.80900 -0.02000 -5.70800 1.000 C9 C 2.17800 0.25600 -7.60700 1.000 C10 C 3.09900 0.47700 -5.44900 1.000 O11 O 4.56000 0.59800 -7.37200 1.000 C12 C 4.32600 1.14100 -6.07300 1.000 C13 C 3.42800 0.92600 -8.17700 1.000 C14 C -1.11200 -0.55100 7.44100 1.000 C15 C -2.30400 0.15100 -5.45500 1.000 O16 O -1.28700 2.25000 -3.30300 1.000 C17 C -2.00700 0.09800 -3.95500 1.000 C18 C 0.47900 0.47200 -4.29800 1.000 S19 S -0.29400 -1.70200 -2.88900 1.000 N20 N -0.62000 -0.32300 -3.74700 1.000 C21 C -2.21100 1.46500 -3.35400 1.000 O22 O -3.61200 3.10000 -2.30800 1.000 N23 N -3.42000 1.81600 -2.87300 1.000 O24 O 0.99900 -2.11800 -3.30300 1.000 O25 O -1.14100 -1.75500 3.45000 1.000 C26 C -0.45900 -0.79500 3.75100 1.000 N27 N 0.25700 -0.15500 2.80600 1.000 C28 C -0.41600 -0.33000 5.15300 1.000 C29 C 0.39900 1.20300 6.81200 1.000 C30 C 0.36600 0.77100 5.50200 1.000 C31 C -1.15700 -0.99000 6.13400 1.000 C32 C -0.33300 0.54000 7.78000 1.000 C33 C -1.24000 -1.23900 -0.37100 1.000 C34 C 0.12700 -0.52000 1.46200 1.000 C35 C -0.13000 -1.24200 -1.19600 1.000 O36 O -1.47400 -2.49000 -2.96200 1.000 C37 C 1.10800 -0.88600 -0.69400 1.000 C38 C -1.11500 -0.87900 0.95600 1.000 C39 C 1.23900 -0.52000 0.63000 1.000 H40 H 2.97000 0.28800 11.65400 1.000 H41 H 1.84600 -1.01000 12.12000 1.000 H42 H 2.87300 0.03700 14.11900 1.000 H43 H 2.24100 1.62200 13.61300 1.000 H44 H 1.11700 0.32300 14.07900 1.000 H45 H -0.06000 0.55700 11.88800 1.000 H46 H 1.06300 1.85600 11.42200 1.000 H47 H -1.23800 0.79100 9.69700 1.000 H48 H -0.11400 2.09000 9.23100 1.000 H49 H 1.79300 0.52200 9.46300 1.000 H50 H 0.66800 -0.77600 9.92900 1.000 H51 H -2.30800 -1.19800 -7.13400 1.000 H52 H -1.06500 -1.55000 -5.91000 1.000 H53 H -2.76900 -1.94700 -5.58600 1.000 H54 H -4.42500 -0.11800 -5.19400 1.000 H55 H -3.90000 1.58200 -5.23800 1.000 H56 H -3.96400 0.63100 -6.74100 1.000 H57 H 1.10600 -1.06800 -5.66600 1.000 H58 H -0.06800 0.08300 -6.34400 1.000 H59 H 2.33500 -0.82100 -7.55400 1.000 H60 H 1.32600 0.46700 -8.25300 1.000 H61 H 2.95400 0.85700 -4.43800 1.000 H62 H 3.24900 -0.60100 -5.41300 1.000 H63 H 5.19700 0.96100 -5.44300 1.000 H64 H 4.15500 2.21500 -6.15500 1.000 H65 H 3.59400 0.57700 -9.19600 1.000 H66 H 3.28900 2.00700 -8.18300 1.000 H67 H -1.68500 -1.06100 8.20100 1.000 H68 H -1.63100 0.86300 -5.93400 1.000 H69 H -2.67900 -0.61200 -3.47600 1.000 H70 H 0.18200 1.52000 -4.33900 1.000 H71 H 1.35700 0.36800 -3.66100 1.000 H72 H -4.53600 3.14700 -2.02800 1.000 H73 H -4.15900 1.18900 -2.91300 1.000 H74 H 0.86300 0.55800 3.05800 1.000 H75 H 1.00400 2.05500 7.08300 1.000 H76 H 0.94300 1.28600 4.74800 1.000 H77 H -1.76400 -1.84300 5.87000 1.000 H78 H -2.20600 -1.51800 -0.76500 1.000 H79 H 1.97300 -0.89000 -1.34100 1.000 H80 H -1.98200 -0.87700 1.59900 1.000 H81 H 2.20600 -0.24200 1.02100 1.000