# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'C9D' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy O0 O -7.27500 -0.82600 0.75400 1.000 S1 S -6.47100 0.03500 -0.04000 1.000 O2 O -6.59400 -0.46200 -1.47300 1.000 O3 O -6.65200 1.44400 -0.08700 1.000 O4 O -5.03100 -0.19800 0.39600 1.000 N5 N -4.07500 0.74800 -0.17800 1.000 C6 C -2.71000 0.46400 0.28500 1.000 C7 C -1.90400 1.76400 0.32700 1.000 C8 C -0.49100 1.47400 0.84100 1.000 C9 C -2.03700 -0.51800 -0.67900 1.000 N10 N -0.63500 -0.69100 -0.27600 1.000 C11 C -0.13000 -1.92100 -0.05800 1.000 O12 O -0.85700 -2.89100 -0.09700 1.000 C13 C 0.20600 0.50300 -0.11700 1.000 C14 C 1.54400 0.10600 0.45200 1.000 O15 O 1.60100 -0.66900 1.38300 1.000 N16 N 2.67700 0.61300 -0.07300 1.000 N17 N 3.92100 0.24400 0.45600 1.000 C18 C 5.05400 0.75100 -0.07000 1.000 O19 O 4.99700 1.52600 -1.00100 1.000 C20 C 6.39200 0.35400 0.49900 1.000 C21 C 7.53500 1.00600 -0.31200 1.000 C22 C 8.60100 -0.11600 -0.37300 1.000 N23 N 7.78700 -1.35000 -0.52300 1.000 C24 C 6.60800 -1.16300 0.34900 1.000 H25 H -4.12300 0.74400 -1.18600 1.000 H26 H -2.74800 0.02600 1.28200 1.000 H27 H -1.84500 2.18800 -0.67500 1.000 H28 H -2.39400 2.47400 0.99400 1.000 H29 H 0.07500 2.40400 0.89300 1.000 H30 H -0.55000 1.02700 1.83300 1.000 H31 H -2.55000 -1.47900 -0.63900 1.000 H32 H -2.08200 -0.12300 -1.69400 1.000 H33 H 0.92300 -2.04300 0.15300 1.000 H34 H 0.34700 0.98300 -1.08600 1.000 H35 H 2.63200 1.23300 -0.81800 1.000 H36 H 3.96700 -0.37600 1.20000 1.000 H37 H 6.45700 0.64300 1.54800 1.000 H38 H 7.19500 1.27100 -1.31300 1.000 H39 H 7.92300 1.88300 0.20600 1.000 H40 H 9.25500 0.02100 -1.23400 1.000 H41 H 9.18000 -0.14700 0.55000 1.000 H42 H 7.50900 -1.48500 -1.48400 1.000 H43 H 6.79300 -1.61100 1.32600 1.000 H44 H 5.73000 -1.62000 -0.11000 1.000 H45 H -7.47800 -0.36000 -1.85100 1.000