# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9C1' 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 -2.93200 0.72600 -0.22600 1.000 C1 C -4.03200 0.33900 0.41400 1.000 C2 C -5.38800 0.71000 -0.12700 1.000 C3 C 1.86600 1.40800 -0.30800 1.000 C4 C 3.25100 0.97800 0.18400 1.000 O5 O -1.51800 -0.28900 1.32400 1.000 O6 O 5.22600 -2.17400 -0.33700 1.000 C7 C 4.90000 -0.90000 0.22100 1.000 C8 C 3.54300 -0.44000 -0.31500 1.000 O9 O 2.52200 -1.32600 0.14700 1.000 C10 C 1.21100 -1.00000 -0.31900 1.000 C11 C 0.82600 0.39500 0.17900 1.000 N12 N -0.49300 0.75600 -0.34700 1.000 C13 C -1.60800 0.36400 0.30200 1.000 Cl14 Cl -6.37600 -0.78200 -0.34600 1.000 O15 O 1.55400 2.70200 0.21400 1.000 O16 O 4.23900 1.87700 -0.32600 1.000 H17 H -3.01100 1.30200 -1.13600 1.000 H18 H -3.95200 -0.24000 1.32200 1.000 H19 H -5.88900 1.37800 0.57500 1.000 H20 H -5.27200 1.21300 -1.08700 1.000 H21 H 1.85900 1.44200 -1.39700 1.000 H22 H 3.27200 0.99200 1.27300 1.000 H23 H 6.07500 -2.52800 -0.04000 1.000 H24 H 4.85300 -0.98000 1.30700 1.000 H25 H 5.66600 -0.17500 -0.05600 1.000 H26 H 3.56300 -0.44400 -1.40500 1.000 H27 H 1.20000 -1.01300 -1.40900 1.000 H28 H 0.79700 0.39700 1.26900 1.000 H29 H -0.56400 1.27600 -1.16200 1.000 H30 H 2.17700 3.39300 -0.04900 1.000 H31 H 5.14200 1.66300 -0.05400 1.000 O32 O 0.27600 -1.95900 0.17800 1.000 H33 H 0.46000 -2.86800 -0.09800 1.000