# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '0JR' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy O0 O 3.35200 -1.95200 0.59000 1.000 C1 C 3.24600 -1.07600 -0.24200 1.000 C2 C 4.47400 -0.53900 -0.93100 1.000 O3 O 5.59300 -1.37400 -0.62900 1.000 C4 C 4.75200 0.88400 -0.44100 1.000 C5 C 6.07400 1.37700 -1.03100 1.000 C6 C 3.61800 1.80800 -0.88800 1.000 C7 C 4.84200 0.88900 1.08600 1.000 O8 O 5.10200 2.21700 1.54400 1.000 N9 N 2.03000 -0.58700 -0.55400 1.000 C10 C 0.84700 -1.03700 0.18400 1.000 C11 C -0.39600 -0.33300 -0.36400 1.000 C12 C -1.61200 -0.79700 0.39500 1.000 O13 O -1.49600 -1.61000 1.28700 1.000 N14 N -2.82800 -0.30700 0.08300 1.000 C15 C -4.01100 -0.75800 0.82100 1.000 C16 C -5.23500 -0.06400 0.28100 1.000 C17 C -5.95700 -0.62500 -0.75500 1.000 N18 N -7.02900 -0.02400 -1.23300 1.000 C19 C -7.45300 1.12600 -0.74800 1.000 C20 C -6.78200 1.74700 0.28900 1.000 C21 C -5.65400 1.14200 0.82100 1.000 H22 H 4.31000 -0.52600 -2.00800 1.000 H23 H 5.79800 -1.43200 0.31500 1.000 H24 H 6.05400 1.26100 -2.11500 1.000 H25 H 6.21400 2.42900 -0.78100 1.000 H26 H 6.89700 0.79300 -0.61900 1.000 H27 H 2.69300 1.51400 -0.39200 1.000 H28 H 3.86100 2.83700 -0.62200 1.000 H29 H 3.49100 1.73200 -1.96800 1.000 H30 H 3.90000 0.53700 1.50700 1.000 H31 H 5.65000 0.23000 1.40500 1.000 H32 H 5.17200 2.29600 2.50500 1.000 H33 H 1.93700 0.06400 -1.26800 1.000 H34 H 0.73500 -2.11500 0.06700 1.000 H35 H 0.96500 -0.79600 1.24000 1.000 H36 H -0.28300 0.74500 -0.24800 1.000 H37 H -0.51300 -0.57400 -1.42100 1.000 H38 H -2.92100 0.34400 -0.63100 1.000 H39 H -4.12300 -1.83600 0.70400 1.000 H40 H -3.89300 -0.51700 1.87800 1.000 H41 H -5.63900 -1.56600 -1.17900 1.000 H42 H -8.33600 1.58900 -1.16500 1.000 H43 H -7.13500 2.68800 0.68300 1.000 H44 H -5.11200 1.60200 1.63400 1.000