# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9ET' 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 0.12900 -1.12400 -0.37300 1.000 C1 C 0.52800 0.91700 -1.59800 1.000 C2 C -0.78000 1.30100 -1.38900 1.000 C3 C -3.07300 0.59300 -0.30100 1.000 C4 C -5.63800 0.23500 0.68200 1.000 C5 C -4.68200 -0.74000 0.90300 1.000 C6 C 5.43200 2.53800 0.95700 1.000 C7 C 4.51700 1.40900 1.35500 1.000 C8 C 3.23800 -0.54800 0.89300 1.000 C9 C 2.89400 -1.46400 -0.28300 1.000 C10 C 4.18000 -2.08300 -0.83300 1.000 C11 C 1.98000 -2.56200 0.19400 1.000 C12 C 0.66100 -2.39100 0.16700 1.000 C13 C 0.98800 -0.29100 -1.09700 1.000 C14 C 1.46000 1.81300 -2.37200 1.000 C15 C -1.65200 0.47600 -0.68000 1.000 C16 C -4.04400 1.56900 -0.51700 1.000 C17 C -5.31800 1.38900 -0.02600 1.000 C18 C -3.39100 -0.57100 0.41400 1.000 C19 C -1.20400 -0.74900 -0.16600 1.000 N20 N -2.25800 -1.36200 0.48300 1.000 O21 O 4.14200 1.31000 2.50000 1.000 O22 O 4.11900 0.51300 0.43800 1.000 O23 O 2.26700 -0.69600 -1.31000 1.000 O24 O -6.89800 0.06500 1.16200 1.000 H25 H -1.13100 2.24600 -1.77700 1.000 H26 H -4.93800 -1.63200 1.45500 1.000 H27 H 5.64500 3.15800 1.82900 1.000 H28 H 6.36400 2.13000 0.56600 1.000 H29 H 4.95000 3.14400 0.19000 1.000 H30 H 2.32200 -0.11300 1.29500 1.000 H31 H 3.73700 -1.12700 1.67000 1.000 H32 H 3.93900 -2.74500 -1.66400 1.000 H33 H 4.84500 -1.29100 -1.18000 1.000 H34 H 4.67400 -2.65300 -0.04600 1.000 H35 H 2.39600 -3.48900 0.55900 1.000 H36 H -0.00400 -3.16100 0.53100 1.000 H37 H 1.40900 1.56300 -3.43100 1.000 H38 H 1.16600 2.85300 -2.23000 1.000 H39 H 2.48000 1.67200 -2.01400 1.000 H40 H -3.79700 2.46500 -1.06700 1.000 H41 H -6.07100 2.14400 -0.19300 1.000 H42 H -2.21100 -2.22500 0.92400 1.000 H43 H -7.03000 0.41400 2.05400 1.000