# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9C3' 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 2.56600 -0.05400 0.70600 1.000 C1 C 0.61000 -1.20200 -0.08300 1.000 C2 C 3.27200 -0.50400 -0.40200 1.000 C3 C -2.52200 -3.21600 0.44800 1.000 C4 C -1.16600 -2.89400 0.29200 1.000 C5 C -0.81200 -1.57800 0.08800 1.000 C6 C -3.97300 1.33100 0.69700 1.000 C7 C 6.70300 0.33700 0.47900 1.000 C8 C 1.32500 -1.65700 -1.19200 1.000 C9 C 1.24200 -0.40200 0.86900 1.000 C10 C 2.64900 -1.30500 -1.34900 1.000 C11 C -3.46600 -2.26100 0.38900 1.000 C12 C -1.87000 -0.54600 0.04300 1.000 C13 C -4.31400 -0.02600 0.07900 1.000 C14 C 4.89700 2.05900 0.34700 1.000 C15 C 5.19000 0.56600 0.50900 1.000 N16 N -1.45900 0.69000 -0.10700 1.000 N17 N -3.17100 -0.93800 0.17600 1.000 O18 O -1.87600 2.99100 0.57900 1.000 O19 O -2.77800 2.13300 -1.56200 1.000 O20 O 4.57700 -0.15900 -0.55900 1.000 S21 S -2.50800 1.96700 -0.17700 1.000 H22 H 3.05600 0.56600 1.44200 1.000 H23 H -2.81000 -4.24300 0.61300 1.000 H24 H -0.41200 -3.66500 0.33200 1.000 H25 H -4.81000 2.01700 0.56900 1.000 H26 H -3.75000 1.21100 1.75700 1.000 H27 H 7.17000 0.88900 1.29400 1.000 H28 H 6.91100 -0.72700 0.59400 1.000 H29 H 7.10400 0.68400 -0.47300 1.000 H30 H 0.84200 -2.28400 -1.92700 1.000 H31 H 0.69400 -0.05600 1.73300 1.000 H32 H 3.20100 -1.65200 -2.20900 1.000 H33 H -4.50000 -2.54800 0.51500 1.000 H34 H -5.16400 -0.45800 0.60700 1.000 H35 H -4.57500 0.11200 -0.97000 1.000 H36 H 3.82000 2.22200 0.36900 1.000 H37 H 5.36500 2.61100 1.16200 1.000 H38 H 5.29900 2.40700 -0.60500 1.000 H39 H 4.78900 0.21800 1.46100 1.000