# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'H64' 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 -6.20000 3.36100 0.89400 1.000 C1 C -6.55500 1.97800 0.34100 1.000 C2 C -7.63600 2.12000 -0.73100 1.000 N3 N -5.35700 1.36500 -0.24900 1.000 C4 C -4.63200 0.71200 0.85000 1.000 C5 C -3.36700 0.04900 0.30300 1.000 C6 C -2.61200 -0.63100 1.44700 1.000 N7 N -1.40000 -1.26600 0.92300 1.000 C8 C -1.29300 -2.55500 0.45600 1.000 N9 N -2.13700 -3.57000 0.31100 1.000 C10 C -1.72800 -4.71800 -0.18800 1.000 N11 N -0.48000 -4.92000 -0.57000 1.000 C12 C 0.43400 -3.96000 -0.46800 1.000 N13 N 1.74100 -4.18100 -0.87100 1.000 C14 C 0.04500 -2.71800 0.05900 1.000 N15 N 0.68300 -1.54700 0.30400 1.000 C16 C -0.16400 -0.68700 0.81300 1.000 S17 S 0.22700 0.96500 1.28600 1.000 C18 C 1.89600 1.05500 0.72900 1.000 C19 C 2.93900 0.97400 1.64300 1.000 C20 C 4.25000 1.04400 1.20500 1.000 O21 O 5.43400 0.99100 1.88300 1.000 C22 C 6.42000 1.52200 0.97800 1.000 O23 O 5.87600 1.23900 -0.32500 1.000 C24 C 4.52200 1.19700 -0.15300 1.000 C25 C 3.47900 1.27700 -1.06200 1.000 C26 C 2.17000 1.20200 -0.62500 1.000 Br27 Br 0.75000 1.31200 -1.86900 1.000 H28 H -5.83000 3.99100 0.08500 1.000 H29 H -7.08800 3.81600 1.33200 1.000 H30 H -5.42900 3.26000 1.65800 1.000 H31 H -6.92500 1.34800 1.15000 1.000 H32 H -7.26600 2.75000 -1.54000 1.000 H33 H -7.88900 1.13500 -1.12500 1.000 H34 H -8.52500 2.57500 -0.29400 1.000 H35 H -5.67900 0.63000 -0.86100 1.000 H36 H -4.35800 1.45700 1.59700 1.000 H37 H -5.27000 -0.04400 1.30700 1.000 H38 H -3.64100 -0.69500 -0.44500 1.000 H39 H -2.72900 0.80600 -0.15500 1.000 H40 H -2.33800 0.11400 2.19400 1.000 H41 H -3.25000 -1.38700 1.90400 1.000 H42 H -2.43900 -5.52500 -0.28800 1.000 H43 H 2.39900 -3.47300 -0.79100 1.000 H44 H 1.99800 -5.04300 -1.23300 1.000 H45 H 2.72700 0.85600 2.69500 1.000 H46 H 6.53200 2.59600 1.12100 1.000 H47 H 7.37600 1.01500 1.11200 1.000 H48 H 3.69000 1.39600 -2.11500 1.000