# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '91L' 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 2.60700 -0.03800 0.07500 1.000 C1 C 4.00000 0.44300 0.15900 1.000 C2 C 1.55000 0.88600 -0.04600 1.000 C3 C 0.23300 0.42300 -0.13000 1.000 C4 C -0.88600 1.37300 -0.25500 1.000 C5 C -2.26900 0.89500 -0.03600 1.000 C6 C -3.31200 1.79900 0.13800 1.000 C7 C -4.59900 1.33300 0.34200 1.000 C8 C -4.85700 -0.02600 0.37400 1.000 C9 C -3.83000 -0.93900 0.20400 1.000 C10 C -2.53100 -0.48700 -0.00200 1.000 C11 C -1.42000 -1.44600 -0.18300 1.000 C12 C -0.02700 -0.96200 -0.09300 1.000 C13 C 1.03000 -1.86600 0.02800 1.000 C14 C 2.33900 -1.40300 0.11200 1.000 N15 N 1.81400 2.24100 -0.08200 1.000 O16 O 5.01800 -0.44000 0.15100 1.000 O17 O 4.22800 1.63300 0.23400 1.000 O18 O -0.67600 2.53800 -0.53500 1.000 O19 O -1.65000 -2.61900 -0.40400 1.000 O20 O 0.77900 -3.19900 0.06400 1.000 H21 H -3.11700 2.86100 0.11500 1.000 H22 H -5.40800 2.03500 0.47700 1.000 H23 H -5.86500 -0.37700 0.53300 1.000 H24 H -4.03800 -1.99800 0.22900 1.000 H25 H 3.15300 -2.10700 0.20100 1.000 H26 H 1.16400 2.87100 0.26700 1.000 H27 H 2.64800 2.56300 -0.45700 1.000 H28 H 5.91300 -0.07800 0.20800 1.000 H29 H 0.77600 -3.62200 -0.80600 1.000