# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'J9E' 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 -0.39000 -0.99100 -0.31900 1.000 C1 C 1.95400 -0.49300 -0.75800 1.000 C2 C 2.69000 0.48400 -1.67700 1.000 C3 C 4.15200 0.05400 -1.81200 1.000 C4 C 4.81400 0.05400 -0.43300 1.000 C5 C 4.74900 1.46100 0.16400 1.000 C6 C 5.41100 1.46100 1.54400 1.000 C7 C 6.87300 1.03000 1.40800 1.000 C8 C 6.93700 -0.37700 0.81200 1.000 C9 C 6.27600 -0.37700 -0.56800 1.000 C10 C 4.07700 -0.92400 0.48600 1.000 C11 C 2.61500 -0.49300 0.62100 1.000 C12 C -1.79300 -0.57700 -0.18300 1.000 C13 C -2.83100 -1.39700 0.13000 1.000 C14 C -4.00700 -0.61200 0.16200 1.000 C15 C -5.35500 -0.90700 0.42300 1.000 C16 C -6.28900 0.09000 0.37800 1.000 C17 C -5.91700 1.39500 0.07500 1.000 C18 C -4.59800 1.70700 -0.18600 1.000 C19 C -3.62900 0.71000 -0.14500 1.000 F20 F -5.72700 -2.17100 0.71700 1.000 F21 F -6.85500 2.36600 0.03400 1.000 N22 N 0.55400 -0.08100 -0.62800 1.000 N23 N -2.26900 0.71100 -0.34700 1.000 O24 O -0.08000 -2.15500 -0.14700 1.000 H25 H 2.00000 -1.49600 -1.18300 1.000 H26 H 2.21900 0.48500 -2.65900 1.000 H27 H 2.64500 1.48700 -1.25200 1.000 H28 H 4.19800 -0.94800 -2.23700 1.000 H29 H 4.67700 0.75100 -2.46600 1.000 H30 H 5.27400 2.15800 -0.49000 1.000 H31 H 3.70800 1.76800 0.26100 1.000 H32 H 5.36500 2.46300 1.96900 1.000 H33 H 4.88600 0.76400 2.19800 1.000 H34 H 7.39800 1.72700 0.75400 1.000 H35 H 7.34400 1.03000 2.39100 1.000 H36 H 7.97900 -0.68300 0.71500 1.000 H37 H 6.41300 -1.07300 1.46600 1.000 H38 H 6.32100 -1.37900 -0.99300 1.000 H39 H 6.80000 0.32000 -1.22200 1.000 H40 H 4.12300 -1.92600 0.06100 1.000 H41 H 4.54900 -0.92400 1.46900 1.000 H42 H 2.57000 0.50900 1.04600 1.000 H43 H 2.09100 -1.19000 1.27600 1.000 H44 H -2.76800 -2.45900 0.32000 1.000 H45 H -7.32500 -0.13900 0.57900 1.000 H46 H -4.31900 2.72400 -0.42100 1.000 H47 H 0.30700 0.84700 -0.76600 1.000 H48 H -1.73200 1.48800 -0.56900 1.000