# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '947' 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 -0.90400 2.00400 -0.07700 1.000 C1 C -4.76700 -0.77300 0.02800 1.000 C2 C 2.31800 1.73800 0.38400 1.000 C3 C 3.83500 -0.57800 0.34700 1.000 C4 C -2.93100 0.81300 -0.38800 1.000 C5 C 4.02100 0.39600 -0.63200 1.000 C6 C 3.26200 1.54900 -0.60900 1.000 C7 C -3.79400 -0.75600 0.94100 1.000 C8 C 2.88700 -0.37800 1.34900 1.000 C9 C 2.13300 0.77800 1.36200 1.000 C10 C 4.64700 -1.81900 0.32600 1.000 C11 C 5.04400 0.18700 -1.71900 1.000 C12 C 6.03800 -1.74500 0.34800 1.000 C13 C 4.02100 -3.06400 0.29100 1.000 C14 C 4.46900 -0.74300 -2.78900 1.000 C15 C 6.78800 -2.90400 0.32900 1.000 C16 C 4.78100 -4.21500 0.27300 1.000 C17 C 6.16200 -4.13600 0.28800 1.000 N18 N -0.00700 2.92200 -0.49000 1.000 N19 N -2.00900 1.76400 -0.81000 1.000 N20 N -2.82300 0.10400 0.69200 1.000 O21 O 0.92000 3.38600 1.75000 1.000 O22 O 2.10000 4.19200 -0.30000 1.000 O23 O -0.71300 1.38900 0.95400 1.000 S24 S 1.35400 3.21300 0.40800 1.000 S25 S -4.37000 0.40900 -1.21700 1.000 Br26 Br -6.30100 -1.87900 0.06000 1.000 H27 H 3.40500 2.30400 -1.36800 1.000 H28 H -3.80000 -1.39300 1.81300 1.000 H29 H 2.74100 -1.12800 2.11300 1.000 H30 H 1.39800 0.93300 2.13800 1.000 H31 H 5.29600 1.14700 -2.17000 1.000 H32 H 5.94100 -0.26100 -1.29200 1.000 H33 H 6.52800 -0.78400 0.37900 1.000 H34 H 2.94300 -3.12700 0.28000 1.000 H35 H 4.28000 -1.72400 -2.35400 1.000 H36 H 3.53500 -0.32800 -3.16800 1.000 H37 H 5.18200 -0.83900 -3.60800 1.000 H38 H 7.86700 -2.84700 0.34500 1.000 H39 H 4.29700 -5.18100 0.24500 1.000 H40 H 6.75300 -5.04000 0.27200 1.000 H41 H -0.16000 3.41300 -1.31200 1.000 H42 H -2.16100 2.25500 -1.63300 1.000