# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9YE' 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 0.14600 -3.93000 0.00400 1.000 C1 C -2.10400 1.39600 0.06700 1.000 C2 C -2.90800 0.27100 -0.03700 1.000 C3 C -2.66300 2.79700 0.08600 1.000 C4 C -4.06900 2.78900 -0.52000 1.000 C5 C -4.94900 1.73900 0.16600 1.000 C6 C -4.37000 0.36300 -0.12900 1.000 C7 C 3.73700 -0.44800 0.42100 1.000 C8 C 0.31900 1.90200 0.25900 1.000 C9 C 0.45100 2.72800 -1.02300 1.000 C10 C 0.10700 2.83900 1.45000 1.000 C11 C 1.53900 -3.91400 0.11000 1.000 C12 C 4.34500 0.92700 0.52500 1.000 C13 C 5.36100 1.25200 -0.23500 1.000 C14 C 6.00700 0.21400 -1.11500 1.000 C15 C 5.88500 2.66500 -0.22800 1.000 C16 C 2.24600 -2.74000 0.21200 1.000 C17 C 1.61100 -1.49000 0.21700 1.000 C18 C 0.22100 -1.49000 0.11200 1.000 C19 C -0.49900 -2.70300 0.00100 1.000 C20 C -0.73400 -0.36900 0.09000 1.000 C21 C -2.02000 -0.88500 -0.02500 1.000 C22 C -1.93000 -2.35800 -0.08900 1.000 N23 N -0.82700 0.99700 0.14000 1.000 O24 O -2.85700 -3.13600 -0.19800 1.000 O25 O -5.06500 -0.58800 -0.42000 1.000 O26 O 2.31600 -0.33400 0.31900 1.000 H27 H -0.40300 -4.85700 -0.07800 1.000 H28 H -2.71300 3.15600 1.11400 1.000 H29 H -2.01900 3.45400 -0.49800 1.000 H30 H -4.52000 3.77300 -0.39400 1.000 H31 H -4.00000 2.56000 -1.58400 1.000 H32 H -4.95600 1.91200 1.24200 1.000 H33 H -5.96500 1.80100 -0.22400 1.000 H34 H 4.12600 -0.95200 -0.46400 1.000 H35 H 3.99200 -1.02600 1.30900 1.000 H36 H 1.22700 1.32000 0.41100 1.000 H37 H 1.35800 3.33000 -0.97500 1.000 H38 H 0.50400 2.05900 -1.88200 1.000 H39 H -0.41500 3.38300 -1.12400 1.000 H40 H -0.10700 2.25000 2.34200 1.000 H41 H 1.00900 3.43000 1.61200 1.000 H42 H -0.73000 3.50500 1.24400 1.000 H43 H 2.07500 -4.85100 0.11200 1.000 H44 H 3.94300 1.64300 1.22500 1.000 H45 H 5.45800 0.14200 -2.05500 1.000 H46 H 7.03900 0.50000 -1.31800 1.000 H47 H 5.99100 -0.75200 -0.61000 1.000 H48 H 5.36500 3.25000 -0.98700 1.000 H49 H 5.71600 3.11100 0.75300 1.000 H50 H 6.95300 2.65800 -0.44400 1.000 H51 H 3.32200 -2.78200 0.29200 1.000