# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'J7B' 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 -0.08900 0.19300 0.03100 1.000 C1 C -1.34600 -0.40900 0.01400 1.000 C2 C -2.48900 0.37600 0.13000 1.000 C3 C 5.83400 -1.10700 -0.54300 1.000 C4 C 5.78600 -2.39700 -0.04800 1.000 C5 C 4.59700 -2.91000 0.43900 1.000 C6 C 3.45500 -2.13400 0.43500 1.000 C7 C 4.74900 1.08200 -1.08600 1.000 C8 C 4.96200 2.04900 0.05100 1.000 C9 C -3.83000 -0.25800 0.11300 1.000 C10 C -4.97600 0.52700 0.22900 1.000 C11 C -6.22100 -0.06800 0.21300 1.000 C12 C -6.33300 -1.44100 0.08300 1.000 C13 C -5.19900 -2.22400 -0.03200 1.000 C14 C -3.94900 -1.64000 -0.02300 1.000 C15 C -7.46100 0.77900 0.33900 1.000 C16 C -2.37200 1.75900 0.26200 1.000 C17 C -1.12400 2.35200 0.27700 1.000 C18 C 0.01500 1.58000 0.16300 1.000 C19 C 1.13100 -0.63400 -0.08500 1.000 N20 N 2.34500 -0.04900 -0.06900 1.000 C21 C 3.50000 -0.83800 -0.06200 1.000 C22 C 4.69600 -0.32400 -0.54600 1.000 O23 O 5.06000 1.63800 1.18300 1.000 O24 O 5.04300 3.36600 -0.19400 1.000 O25 O 1.03800 -1.84100 -0.19500 1.000 N26 N -7.91100 1.18900 -0.99800 1.000 H27 H -1.43200 -1.48100 -0.08800 1.000 H28 H 6.76300 -0.71000 -0.92400 1.000 H29 H 6.67800 -3.00600 -0.04300 1.000 H30 H 4.56300 -3.91800 0.82500 1.000 H31 H 2.52700 -2.53600 0.81500 1.000 H32 H 3.81100 1.31400 -1.58900 1.000 H33 H 5.57300 1.16800 -1.79400 1.000 H34 H -4.88900 1.59800 0.33100 1.000 H35 H -7.31000 -1.90200 0.07100 1.000 H36 H -5.29300 -3.29600 -0.13200 1.000 H37 H -3.06500 -2.25200 -0.11800 1.000 H38 H -8.24800 0.20200 0.82600 1.000 H39 H -7.23800 1.66400 0.93500 1.000 H40 H -3.25900 2.36800 0.35100 1.000 H41 H -1.03900 3.42400 0.37900 1.000 H42 H 0.98800 2.04900 0.17600 1.000 H43 H 2.41800 0.91800 -0.06200 1.000 H44 H 5.17900 3.94700 0.56700 1.000 H45 H -8.06300 0.38700 -1.59000 1.000 H46 H -8.74200 1.75900 -0.94100 1.000