# 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 1.65900 0.15600 0.11200 1.000 N1 N 0.67600 0.90700 0.52600 1.000 C2 C -0.19700 0.15700 1.21700 1.000 C3 C 4.94000 1.97600 -0.64300 1.000 O4 O 3.10200 2.45900 0.85000 1.000 C5 C 0.26200 -1.11400 1.23300 1.000 O6 O -0.33000 -2.18200 1.82900 1.000 N7 N 1.43700 -1.12000 0.52800 1.000 C8 C 2.84000 0.62300 -0.69900 1.000 N9 N 2.37500 1.49800 -1.78300 1.000 C10 C 3.80400 1.39600 0.20300 1.000 C11 C 2.29600 -2.27900 0.27800 1.000 C12 C 1.87200 -2.95200 -1.00200 1.000 O13 O 2.67700 -3.13400 -1.88400 1.000 C14 C -1.46800 0.64800 1.86100 1.000 C15 C -2.60400 0.53800 0.87800 1.000 C16 C -2.89800 1.59900 0.04200 1.000 C17 C -3.93600 1.49900 -0.86400 1.000 C18 C -3.35500 -0.62200 0.81700 1.000 C19 C -4.39700 -0.72500 -0.08400 1.000 C20 C -4.69100 0.33700 -0.92700 1.000 O21 O -5.71600 0.23800 -1.81400 1.000 H22 H 5.62700 2.52700 0.00000 1.000 H23 H 5.47600 1.16500 -1.13600 1.000 H24 H 4.52700 2.64900 -1.39400 1.000 H25 H 2.75300 3.03000 0.15200 1.000 H26 H 3.35300 -0.24000 -1.12400 1.000 H27 H 1.66900 0.98500 -2.28800 1.000 H28 H 1.91000 2.27900 -1.34600 1.000 H29 H 4.21800 0.72300 0.95400 1.000 H30 H 3.33200 -1.95100 0.19100 1.000 H31 H 2.20700 -2.98300 1.10600 1.000 H32 H 0.84900 -3.27100 -1.13100 1.000 H33 H -1.68700 0.04000 2.73900 1.000 H34 H -1.34500 1.68800 2.16100 1.000 H35 H -2.31100 2.50400 0.09200 1.000 H36 H -4.16300 2.32700 -1.52000 1.000 H37 H -3.12600 -1.44700 1.47400 1.000 H38 H -4.98300 -1.63100 -0.13100 1.000 H39 H -6.50800 0.56100 -1.36300 1.000