# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'H90' 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 5.96700 3.20400 1.34500 1.000 C1 C 5.78600 2.38500 0.24700 1.000 C2 C 4.50800 2.20700 -0.26100 1.000 C3 C 3.45500 2.86400 0.35800 1.000 C4 C 3.71300 3.66800 1.45200 1.000 N5 N 4.94200 3.81300 1.90800 1.000 C6 C 4.26900 1.32300 -1.45700 1.000 N7 N 4.00900 -0.04700 -1.00800 1.000 C8 C 2.77900 -0.57600 -0.70900 1.000 C9 C 3.00600 -1.91400 -0.32400 1.000 C10 C 4.39600 -2.14000 -0.40900 1.000 N11 N 4.97200 -1.04400 -0.81400 1.000 N12 N 1.55100 -0.08300 -0.72300 1.000 C13 C 0.50100 -0.81300 -0.38300 1.000 C14 C 0.63700 -2.14700 0.01200 1.000 C15 C 1.90400 -2.72000 0.04500 1.000 C16 C 2.09300 -4.12700 0.45600 1.000 O17 O 1.02900 -4.87600 0.80600 1.000 O18 O 3.20800 -4.60900 0.47900 1.000 C19 C -0.84900 -0.20200 -0.42000 1.000 C20 C -1.00100 1.12900 -0.81100 1.000 C21 C -2.25400 1.69700 -0.84600 1.000 C22 C -3.37500 0.94100 -0.48900 1.000 C23 C -3.22000 -0.39200 -0.09800 1.000 C24 C -1.96700 -0.96000 -0.06900 1.000 C25 C -4.71900 1.54900 -0.52600 1.000 O26 O -4.87100 2.66100 -0.99500 1.000 C27 C -5.88100 0.80800 0.00800 1.000 C28 C -5.72800 -0.03500 1.11100 1.000 C29 C -6.81600 -0.72500 1.60400 1.000 C30 C -8.05700 -0.58200 1.00900 1.000 C31 C -8.21600 0.25200 -0.08400 1.000 C32 C -7.13700 0.95200 -0.58400 1.000 H33 H 6.95800 3.34400 1.74900 1.000 H34 H 6.62900 1.88900 -0.21100 1.000 H35 H 2.44700 2.74900 -0.01100 1.000 H36 H 2.89800 4.18200 1.94000 1.000 H37 H 3.40800 1.69100 -2.01600 1.000 H38 H 5.15000 1.33400 -2.09900 1.000 H39 H 4.89800 -3.06900 -0.18000 1.000 H40 H -0.23100 -2.72700 0.28700 1.000 H41 H 1.20300 -5.79100 1.06700 1.000 H42 H -0.13600 1.71300 -1.08600 1.000 H43 H -2.37200 2.72700 -1.14800 1.000 H44 H -4.08500 -0.97800 0.17800 1.000 H45 H -1.84800 -1.99000 0.23300 1.000 H46 H -4.76000 -0.14800 1.57600 1.000 H47 H -6.69900 -1.37700 2.45600 1.000 H48 H -8.90600 -1.12400 1.39900 1.000 H49 H -9.18700 0.35800 -0.54400 1.000 H50 H -7.26400 1.60600 -1.43400 1.000