# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '097' 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 1.04800 -0.14500 -0.45400 1.000 C1 C -1.90400 1.76900 1.77600 1.000 O2 O 3.05200 1.31300 -1.40600 1.000 C3 C -0.08300 -0.43800 0.21800 1.000 O4 O -5.84300 0.50700 -0.80000 1.000 C5 C 2.34700 -0.25100 0.21600 1.000 C6 C 2.93700 -1.64000 -0.03300 1.000 C7 C 3.23100 -1.81000 -1.52500 1.000 C8 C 4.23500 -1.79300 0.76200 1.000 C9 C 3.28100 0.79800 -0.33200 1.000 C10 C 5.22100 2.25400 -0.10900 1.000 N11 N -4.54600 0.45700 -0.23400 1.000 C12 C -3.85100 -0.69700 -0.24100 1.000 O13 O -4.29300 -1.66700 -0.81900 1.000 C14 C -2.52500 -0.78300 0.47100 1.000 O15 O -2.24100 -2.14700 0.78500 1.000 C16 C -1.42400 -0.22800 -0.43500 1.000 C17 C -1.65300 1.26800 -0.65900 1.000 C18 C -1.07800 2.05400 0.52000 1.000 C19 C -1.12600 3.55100 0.20700 1.000 O20 O -0.02000 -0.87200 1.34900 1.000 C21 C 1.93700 -2.70700 0.41400 1.000 N22 N 4.37100 1.16300 0.37200 1.000 H23 H 1.00200 0.13200 -1.38200 1.000 H24 H -1.60800 0.80700 2.19500 1.000 H25 H -1.73200 2.55500 2.51100 1.000 H26 H -2.96300 1.74100 1.51500 1.000 H27 H -6.26200 1.37600 -0.74800 1.000 H28 H 2.21700 -0.09800 1.28700 1.000 H29 H 3.94400 -1.04900 -1.84400 1.000 H30 H 3.65100 -2.80000 -1.70300 1.000 H31 H 2.30600 -1.70100 -2.09200 1.000 H32 H 4.01800 -1.73000 1.82800 1.000 H33 H 4.68600 -2.76000 0.54000 1.000 H34 H 4.92700 -0.99700 0.48500 1.000 H35 H 5.61600 2.00100 -1.09300 1.000 H36 H 4.63400 3.17000 -0.17700 1.000 H37 H 6.04700 2.40400 0.58600 1.000 H38 H -4.15800 1.25500 0.16000 1.000 H39 H -2.18800 -2.72700 0.01300 1.000 H40 H -1.15700 1.57800 -1.57900 1.000 H41 H -2.72300 1.46400 -0.73900 1.000 H42 H -0.04400 1.75100 0.68900 1.000 H43 H -0.71500 4.11100 1.04800 1.000 H44 H -0.53700 3.75400 -0.68700 1.000 H45 H -2.15900 3.85400 0.03800 1.000 H46 H 1.01200 -2.59900 -0.15200 1.000 H47 H 2.35700 -3.69700 0.23700 1.000 H48 H 1.72800 -2.58600 1.47700 1.000 H49 H 4.59200 0.70200 1.19700 1.000 H50 H -2.56800 -0.19900 1.39000 1.000 H51 H -1.44600 -0.74700 -1.39400 1.000