# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9A0' 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 2.85000 2.48400 -1.42900 1.000 C1 C 1.55500 2.11700 -0.75100 1.000 C2 C -0.77500 2.45900 -0.41600 1.000 C3 C -0.81200 1.84800 0.83100 1.000 O4 O -4.57800 -0.17200 -0.61700 1.000 C5 C -5.11500 0.15800 0.41900 1.000 N6 N -6.25200 -0.45100 0.81200 1.000 C7 C -6.75000 -1.53800 0.08500 1.000 C8 C -8.12100 -1.71900 -0.04400 1.000 C9 C -8.61000 -2.79300 -0.76200 1.000 C10 C -7.73600 -3.68700 -1.35200 1.000 C11 C -6.37100 -3.51000 -1.22500 1.000 C12 C -5.87600 -2.43500 -0.51400 1.000 C13 C -4.51300 1.24800 1.26700 1.000 C14 C -5.46500 2.44500 1.31000 1.000 C15 C -4.28700 0.72400 2.68700 1.000 C16 C -3.19500 1.67500 0.67400 1.000 C17 C -2.02100 1.45800 1.37200 1.000 C18 C -3.16200 2.28800 -0.56500 1.000 C19 C -1.95600 2.68000 -1.11200 1.000 N20 N 0.44800 2.85500 -0.96600 1.000 O21 O 1.50900 1.15600 -0.01200 1.000 C22 C 3.92400 1.50800 -1.02300 1.000 C23 C 4.13000 0.36000 -1.76500 1.000 C24 C 5.11500 -0.53600 -1.39300 1.000 C25 C 4.70700 1.76300 0.08700 1.000 C26 C 5.69600 0.87100 0.45500 1.000 C27 C 5.89400 -0.28400 -0.27900 1.000 S28 S 7.15500 -1.42100 0.19000 1.000 O29 O 7.49400 -2.08700 -1.01900 1.000 O30 O 8.10800 -0.62400 0.87900 1.000 C31 C 6.33200 -2.56200 1.33600 1.000 C32 C 7.33500 -3.61100 1.82000 1.000 H33 H 2.71700 2.45000 -2.51000 1.000 H34 H 3.14300 3.49100 -1.13100 1.000 H35 H 0.10400 1.67800 1.37700 1.000 H36 H -6.72400 -0.13600 1.59800 1.000 H37 H -8.80400 -1.02100 0.41700 1.000 H38 H -9.67600 -2.93400 -0.86200 1.000 H39 H -8.12100 -4.52600 -1.91300 1.000 H40 H -5.69100 -4.21100 -1.68700 1.000 H41 H -4.80900 -2.29400 -0.42000 1.000 H42 H -6.41800 2.13600 1.73900 1.000 H43 H -5.02900 3.23400 1.92400 1.000 H44 H -5.62500 2.81800 0.29900 1.000 H45 H -3.60900 -0.12900 2.65600 1.000 H46 H -3.85200 1.51300 3.30000 1.000 H47 H -5.24000 0.41500 3.11500 1.000 H48 H -2.05100 0.98300 2.34200 1.000 H49 H -4.08100 2.46000 -1.10700 1.000 H50 H -1.93100 3.15900 -2.08000 1.000 H51 H 0.50000 3.66100 -1.50300 1.000 H52 H 3.52100 0.16200 -2.63500 1.000 H53 H 5.27500 -1.43300 -1.97200 1.000 H54 H 4.54600 2.66000 0.66600 1.000 H55 H 6.30500 1.06800 1.32500 1.000 H56 H 5.94800 -2.00500 2.19000 1.000 H57 H 5.50600 -3.05700 0.82500 1.000 H58 H 7.71900 -4.16800 0.96500 1.000 H59 H 8.16000 -3.11500 2.33100 1.000 H60 H 6.84000 -4.29600 2.50800 1.000