# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9WH' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy N0 N -0.02600 0.80200 0.22300 1.000 C1 C -1.02100 -0.09000 -0.19600 1.000 C2 C -2.06900 -1.98100 -0.73600 1.000 C3 C -4.30900 -1.03700 -1.35600 1.000 C4 C -6.57100 -0.50400 1.62300 1.000 C5 C -6.86900 0.84000 1.50500 1.000 C6 C -5.50700 0.97100 -0.46200 1.000 C7 C 7.80800 -1.48400 -2.27200 1.000 C8 C 7.10100 -0.69900 -1.19700 1.000 C9 C 7.14400 0.68800 -1.03400 1.000 C10 C 6.37700 1.00500 0.04500 1.000 N11 N 6.15300 2.28400 0.54800 1.000 N12 N 5.87000 -0.14700 0.53800 1.000 C13 C 4.98700 -0.27300 1.70000 1.000 C14 C 3.55100 -0.18100 1.25200 1.000 N15 N 2.79800 -1.17200 0.89900 1.000 N16 N 1.61300 -0.91900 0.55000 1.000 C17 C 1.23000 0.32600 0.56900 1.000 C18 C -0.89000 -1.48400 -0.30000 1.000 N19 N -2.92000 -0.94600 -0.90000 1.000 C20 C -5.21300 -0.37600 -0.34900 1.000 C21 C -5.74000 -1.11300 0.69800 1.000 F22 F -5.44400 -2.42600 0.81600 1.000 C23 C -6.33800 1.57800 0.46400 1.000 Cl24 Cl -4.84600 1.89700 -1.77300 1.000 N25 N -2.24300 0.23100 -0.55400 1.000 S26 S 2.59600 1.29700 1.12300 1.000 N27 N 6.33500 -1.19900 -0.26200 1.000 H28 H -0.21400 1.75200 0.26600 1.000 H29 H -2.29200 -3.02200 -0.91800 1.000 H30 H -4.40900 -0.53500 -2.31900 1.000 H31 H -4.58800 -2.08500 -1.46200 1.000 H32 H -6.98300 -1.07900 2.44000 1.000 H33 H -7.51700 1.31500 2.22700 1.000 H34 H 8.79900 -1.77100 -1.91900 1.000 H35 H 7.23300 -2.37900 -2.50700 1.000 H36 H 7.90600 -0.86900 -3.16700 1.000 H37 H 7.69100 1.38500 -1.65300 1.000 H38 H 6.56300 3.05200 0.12100 1.000 H39 H 5.58600 2.40700 1.32500 1.000 H40 H 5.15600 -1.23600 2.18200 1.000 H41 H 5.19900 0.52900 2.40700 1.000 H42 H -0.00300 -2.05800 -0.07300 1.000 H43 H -6.57200 2.62800 0.37200 1.000