# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '096' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy S0 S -2.23200 -1.11700 2.83500 1.000 C1 C -4.93900 1.36600 -1.26800 1.000 N2 N -1.73500 -1.75700 0.36500 1.000 O3 O -4.04500 2.45700 -1.04000 1.000 C4 C -2.91100 2.19100 -0.33800 1.000 N5 N -2.32900 -1.35500 -3.19000 1.000 O6 O -2.84700 -3.66200 0.10300 1.000 C7 C -2.66300 0.90600 0.11800 1.000 N8 N 4.03800 0.01800 0.80000 1.000 O9 O -2.23200 4.46800 -0.52900 1.000 C10 C -1.51100 0.63600 0.83300 1.000 N11 N 6.45700 0.17000 -0.69200 1.000 C12 C -1.24300 -0.76200 1.32800 1.000 C13 C -2.62100 -2.84200 2.33600 1.000 C14 C -2.41400 -2.79600 0.83500 1.000 C15 C -1.49400 -1.61400 -1.00700 1.000 C16 C -0.19100 -1.59400 -1.49700 1.000 C17 C -0.00400 -1.45000 -2.86200 1.000 C18 C -1.10700 -1.33200 -3.68600 1.000 C19 C -2.55200 -1.48900 -1.89800 1.000 C20 C -0.60400 1.64600 1.09500 1.000 C21 C 0.65100 1.34700 1.87400 1.000 C22 C 1.72900 0.82400 0.92300 1.000 C23 C 3.00300 0.52000 1.71400 1.000 C24 C 5.34200 -0.06100 1.47400 1.000 C25 C 6.37300 -0.66100 0.51600 1.000 C26 C 7.49300 -0.33200 -1.60600 1.000 C27 C 5.15400 0.24900 -1.36600 1.000 C28 C 4.12300 0.85000 -0.40800 1.000 C29 C -0.84500 2.93000 0.64200 1.000 C30 C -1.99600 3.20600 -0.07900 1.000 H31 H -5.27500 0.96700 -0.31100 1.000 H32 H -5.80000 1.71500 -1.83800 1.000 H33 H -4.42500 0.58500 -1.82700 1.000 H34 H -3.37000 0.11500 -0.08500 1.000 H35 H -2.72300 5.02200 0.09400 1.000 H36 H -0.18000 -0.90500 1.52200 1.000 H37 H -1.93100 -3.54600 2.80100 1.000 H38 H -3.65300 -3.09400 2.58100 1.000 H39 H 0.65300 -1.68800 -0.83000 1.000 H40 H 0.99300 -1.43000 -3.27700 1.000 H41 H -0.96700 -1.21900 -4.75100 1.000 H42 H -3.56600 -1.50300 -1.52900 1.000 H43 H 1.00400 2.25700 2.35800 1.000 H44 H 0.43700 0.59200 2.63100 1.000 H45 H 1.37600 -0.08700 0.43800 1.000 H46 H 1.94300 1.57900 0.16600 1.000 H47 H 2.78900 -0.23500 2.47100 1.000 H48 H 3.35600 1.43100 2.19800 1.000 H49 H 5.65900 0.93900 1.77000 1.000 H50 H 5.25600 -0.69200 2.35900 1.000 H51 H 6.06900 -1.67200 0.24200 1.000 H52 H 7.34700 -0.69400 1.00400 1.000 H53 H 7.58100 0.34000 -2.46000 1.000 H54 H 8.44700 -0.38000 -1.08100 1.000 H55 H 7.21900 -1.32800 -1.95300 1.000 H56 H 5.23900 0.88000 -2.25100 1.000 H57 H 4.83700 -0.75100 -1.66200 1.000 H58 H 3.14800 0.88200 -0.89600 1.000 H59 H 4.42600 1.86000 -0.13400 1.000 H60 H -0.13500 3.71800 0.84800 1.000