# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'C0A' 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 6.26000 -2.64100 -1.47100 1.000 N1 N 4.88400 -2.30700 -1.09500 1.000 C2 C 4.57400 -1.05200 -0.71500 1.000 O3 O 5.43500 -0.19800 -0.68500 1.000 C4 C 3.15900 -0.70900 -0.32900 1.000 C5 C 2.22700 -0.97700 -1.51200 1.000 C6 C 0.79900 -0.75200 -1.08900 1.000 C7 C 0.06100 -1.79600 -0.56200 1.000 C8 C -1.24900 -1.58900 -0.17300 1.000 C9 C -1.82200 -0.33900 -0.31000 1.000 C10 C -3.25100 -0.11400 0.11500 1.000 F11 F -3.28900 0.84300 1.13500 1.000 F12 F -3.99600 0.34000 -0.97900 1.000 P13 P -3.95700 -1.68000 0.72500 1.000 O14 O -3.19000 -2.12800 2.06800 1.000 O15 O -5.39600 -1.49100 1.01700 1.000 O16 O -3.78300 -2.82000 -0.39800 1.000 C17 C -1.08500 0.70600 -0.83700 1.000 Br18 Br -1.86800 2.41700 -1.02400 1.000 C19 C 0.22800 0.50000 -1.22100 1.000 N20 N 3.08300 0.70700 0.04100 1.000 S21 S 3.20700 1.15500 1.63100 1.000 C22 C 4.89600 0.69100 2.10200 1.000 O23 O 3.06600 2.56900 1.60800 1.000 O24 O 2.25900 0.33500 2.30100 1.000 H25 H 6.92300 -2.45000 -0.62800 1.000 H26 H 6.31600 -3.69400 -1.74600 1.000 H27 H 6.56400 -2.02700 -2.31900 1.000 H28 H 4.19500 -2.99000 -1.11900 1.000 H29 H 2.85500 -1.32200 0.51900 1.000 H30 H 2.47500 -0.30000 -2.33000 1.000 H31 H 2.34900 -2.00800 -1.84400 1.000 H32 H 0.50800 -2.77300 -0.45500 1.000 H33 H -1.82500 -2.40500 0.23800 1.000 H34 H -2.22900 -2.18100 1.97300 1.000 H35 H -4.13700 -3.68300 -0.14100 1.000 H36 H 0.80600 1.31700 -1.62800 1.000 H37 H 2.96100 1.38200 -0.64500 1.000 H38 H 5.60800 1.22400 1.47200 1.000 H39 H 5.06700 0.95300 3.14600 1.000 H40 H 5.02800 -0.38300 1.97000 1.000