# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9HC' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Br0 Br -6.56700 -0.60800 0.77800 1.000 C1 C 4.05800 4.70000 1.32600 1.000 O2 O -0.83700 0.76500 -2.65700 1.000 O3 O 5.36900 -3.72100 0.93800 1.000 O4 O 1.94900 4.03600 -0.43300 1.000 O5 O 4.39800 -3.45300 -1.41300 1.000 O6 O 2.83600 -3.78800 0.58500 1.000 C7 C -4.64900 -0.18000 -1.28100 1.000 C8 C -3.81900 0.11400 0.95500 1.000 C9 C -3.40600 0.12600 -1.79100 1.000 C10 C -2.57000 0.42200 0.46000 1.000 C11 C 4.36500 1.05500 0.95400 1.000 C12 C 0.10900 1.08600 -0.52000 1.000 C13 C 1.37200 1.38700 -1.32900 1.000 C14 C 3.12400 -0.71800 -0.31400 1.000 N15 N 4.56100 2.30700 1.31700 1.000 O16 O 4.10600 -1.54200 0.31600 1.000 C17 C -1.02300 0.75800 -1.45900 1.000 C18 C -4.85700 -0.18700 0.08800 1.000 C19 C 3.79100 3.28500 0.88000 1.000 C20 C -2.35300 0.43100 -0.92200 1.000 C21 C 3.33700 0.71800 0.09400 1.000 C22 C 2.73900 3.02500 0.01400 1.000 C23 C 2.50400 1.71400 -0.38900 1.000 P24 P 4.17800 -3.13700 0.10500 1.000 H25 H 4.74900 5.17600 0.63000 1.000 H26 H 3.12100 5.25700 1.34500 1.000 H27 H 4.49600 4.69000 2.32400 1.000 H28 H 2.25900 4.44400 -1.25300 1.000 H29 H -5.46400 -0.41100 -1.95100 1.000 H30 H -3.98900 0.10700 2.02200 1.000 H31 H -3.24500 0.13100 -2.85900 1.000 H32 H -1.76200 0.65600 1.13600 1.000 H33 H 5.02000 0.28300 1.33000 1.000 H34 H 0.29200 0.23600 0.13800 1.000 H35 H -0.15600 1.95800 0.07800 1.000 H36 H 1.63700 0.51500 -1.92600 1.000 H37 H 1.18900 2.23600 -1.98700 1.000 H38 H 3.21500 -0.80600 -1.39600 1.000 H39 H 2.12800 -1.03800 -0.00600 1.000