# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '0HG' 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 -4.66700 -4.50200 -1.63500 1.000 C1 C -3.89400 -4.62800 -0.39300 1.000 C2 C -4.60600 -5.56600 0.54900 1.000 O3 O -5.78300 -5.79200 0.40100 1.000 C4 C -3.75600 -3.25300 0.26400 1.000 C5 C -2.92600 -2.33800 -0.63800 1.000 C6 C -2.79000 -0.98400 0.00900 1.000 O7 O -3.30600 -0.77200 1.08600 1.000 O8 O -3.93100 -6.15000 1.55200 1.000 C9 C -1.96300 1.30800 0.02000 1.000 C10 C -3.16600 2.15000 -0.31900 1.000 O11 O -4.04700 1.69500 -1.01700 1.000 N12 N -2.09500 -0.00900 -0.60900 1.000 C13 C -0.69700 1.99500 -0.49600 1.000 S14 S 0.75100 0.98200 -0.08800 1.000 Br15 Br 7.44000 -0.99300 0.29600 1.000 C16 C 3.42500 1.22400 -0.50700 1.000 C17 C 3.90800 0.31400 -1.42900 1.000 C18 C 5.10000 -0.34400 -1.19100 1.000 C19 C 5.81000 -0.09300 -0.03000 1.000 C20 C 5.32500 0.81800 0.89200 1.000 C21 C 4.13300 1.47600 0.65300 1.000 C22 C 2.12800 1.94600 -0.77000 1.000 N23 N -3.26300 3.40800 0.15400 1.000 C24 C -4.43200 4.22600 -0.17600 1.000 C25 C -4.29600 5.58100 0.47100 1.000 O26 O -3.32200 5.83600 1.13900 1.000 O27 O -5.25700 6.50300 0.30500 1.000 H28 H -4.19100 -3.87400 -2.26600 1.000 H29 H -4.75800 -5.40900 -2.06800 1.000 H30 H -2.90400 -5.02400 -0.61900 1.000 H31 H -4.74500 -2.81900 0.41000 1.000 H32 H -3.26000 -3.36000 1.22900 1.000 H33 H -1.93700 -2.77200 -0.78400 1.000 H34 H -3.42200 -2.23200 -1.60300 1.000 H35 H -4.43000 -6.74300 2.12900 1.000 H36 H -5.58400 -4.13600 -1.42500 1.000 H37 H -1.89600 1.18900 1.10200 1.000 H38 H -1.68200 -0.17800 -1.47000 1.000 H39 H -0.76400 2.11400 -1.57800 1.000 H40 H -0.59900 2.97500 -0.02800 1.000 H41 H 3.35500 0.11700 -2.33500 1.000 H42 H 5.47800 -1.05500 -1.91100 1.000 H43 H 5.87900 1.01500 1.79800 1.000 H44 H 3.75500 2.18700 1.37300 1.000 H45 H 1.99100 2.06600 -1.84400 1.000 H46 H 2.15600 2.92600 -0.29500 1.000 H47 H -2.55800 3.77200 0.71200 1.000 H48 H -4.49900 4.34500 -1.25800 1.000 H49 H -5.33400 3.73700 0.19200 1.000 H50 H -5.12600 7.35700 0.73900 1.000