# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'C12' 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 1.28000 -0.50500 0.22500 1.000 N1 N 0.28800 -0.85900 -0.54400 1.000 C2 C -0.41700 0.22900 -0.89100 1.000 C3 C 4.24600 -2.92100 0.33300 1.000 O4 O 2.57100 -2.45400 -1.34500 1.000 C5 C 0.16200 1.30600 -0.31400 1.000 O6 O -0.24700 2.59800 -0.41700 1.000 N7 N 1.23800 0.84400 0.39500 1.000 C8 C 2.29900 -1.43600 0.83000 1.000 N9 N 1.61800 -2.61300 1.38500 1.000 C10 C 3.28800 -1.88100 -0.25000 1.000 C11 C 2.17000 1.65100 1.18700 1.000 C12 C 3.31500 2.09700 0.31500 1.000 O13 O 3.35000 1.77500 -0.84900 1.000 C14 C -1.63900 0.24700 -1.77200 1.000 C15 C -2.87300 0.08400 -0.92200 1.000 C16 C -3.51000 1.19900 -0.40900 1.000 C17 C -4.64100 1.05200 0.37000 1.000 C18 C -3.37000 -1.18000 -0.66200 1.000 C19 C -4.50100 -1.33200 0.11600 1.000 C20 C -5.13800 -0.21600 0.63700 1.000 O21 O -6.25100 -0.36300 1.40400 1.000 H22 H 4.95000 -3.23800 -0.43600 1.000 H23 H 4.79300 -2.48400 1.16800 1.000 H24 H 3.67800 -3.78300 0.68300 1.000 H25 H 2.04200 -3.22800 -1.10700 1.000 H26 H 2.83700 -0.91900 1.62400 1.000 H27 H 1.11200 -3.11000 0.66700 1.000 H28 H 2.27300 -3.22200 1.85300 1.000 H29 H 3.85600 -1.01900 -0.60000 1.000 H30 H 1.65000 2.52500 1.58000 1.000 H31 H 2.55400 1.05400 2.01400 1.000 H32 H -1.68900 1.19600 -2.30600 1.000 H33 H -1.58200 -0.57100 -2.49000 1.000 H34 H -3.12200 2.18500 -0.61700 1.000 H35 H -5.13800 1.92300 0.77200 1.000 H36 H -2.87300 -2.04900 -1.06800 1.000 H37 H -4.88900 -2.32000 0.31800 1.000 H38 H -7.07700 -0.36000 0.90200 1.000 O39 O 4.29700 2.85300 0.83200 1.000 H40 H 5.01000 3.11500 0.23300 1.000