# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9YJ' 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 2.88100 -2.09500 -0.25700 1.000 C1 C 2.05400 -0.97000 -0.10700 1.000 C2 C 2.65000 0.30700 -0.10800 1.000 N3 N 3.97200 0.39500 -0.25100 1.000 N4 N 4.19000 -1.90400 -0.38800 1.000 C5 C 2.44400 3.15500 -1.19900 1.000 C6 C 1.81300 2.66500 0.10600 1.000 C7 C 2.72200 3.02900 1.28100 1.000 C8 C 0.44800 3.33100 0.29300 1.000 N9 N 1.64400 1.21100 0.05100 1.000 N10 N 0.42300 0.53500 0.15300 1.000 C11 C 4.70600 -0.68700 -0.38800 1.000 N12 N 2.34800 -3.36900 -0.26200 1.000 C13 C 0.62000 -0.75700 0.06500 1.000 S14 S -0.61800 -2.00800 0.14000 1.000 C15 C -2.08100 -1.09600 0.50500 1.000 C16 C -2.92000 -0.68600 -0.52300 1.000 C17 C -4.06700 0.02900 -0.23300 1.000 Cl18 Cl -5.11800 0.54200 -1.51700 1.000 C19 C -4.37900 0.33500 1.08000 1.000 C20 C -3.54500 -0.07200 2.10500 1.000 C21 C -2.40100 -0.79100 1.82300 1.000 H22 H 1.79600 2.89600 -2.03600 1.000 H23 H 2.57000 4.23700 -1.15800 1.000 H24 H 3.41700 2.68100 -1.33200 1.000 H25 H 2.84800 4.11100 1.32200 1.000 H26 H 2.27200 2.68000 2.21000 1.000 H27 H 3.69500 2.55500 1.14800 1.000 H28 H -0.20000 3.07200 -0.54500 1.000 H29 H -0.00200 2.98200 1.22200 1.000 H30 H 0.57300 4.41300 0.33300 1.000 H31 H 5.77400 -0.57800 -0.50100 1.000 H32 H 2.93100 -4.13900 -0.36200 1.000 H33 H 1.39100 -3.49500 -0.16500 1.000 H34 H -2.67700 -0.92400 -1.54800 1.000 H35 H -5.27600 0.89400 1.30400 1.000 H36 H -3.79200 0.16900 3.12900 1.000 H37 H -1.75300 -1.11200 2.62500 1.000