# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '96E' 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 2.42800 -0.20700 -0.51600 1.000 O1 O -3.09500 1.68000 -0.53200 1.000 C2 C -1.80100 1.92500 0.02100 1.000 C3 C -1.47400 0.84200 1.05100 1.000 N4 N -1.25400 -0.43800 0.36400 1.000 C5 C -2.44100 -0.83200 -0.40600 1.000 C6 C -3.64100 -0.95500 0.53400 1.000 C7 C -4.87800 -1.36600 -0.26800 1.000 C8 C -0.06500 -0.37500 -0.49600 1.000 C9 C 1.19400 -0.37100 0.37300 1.000 C10 C 3.68700 -0.20300 0.35300 1.000 C11 C 4.92100 -0.03800 -0.53600 1.000 O12 O 6.09700 -0.03400 0.27600 1.000 H13 H 2.47800 -1.03400 -1.22400 1.000 H14 H 2.36000 0.73400 -1.06100 1.000 H15 H -3.40100 2.37000 -1.13700 1.000 H16 H -1.05600 1.90600 -0.77500 1.000 H17 H -1.79100 2.90100 0.50500 1.000 H18 H -0.57200 1.12100 1.59700 1.000 H19 H -2.30500 0.74200 1.74900 1.000 H20 H -2.64900 -0.07800 -1.16500 1.000 H21 H -2.25800 -1.79200 -0.88900 1.000 H22 H -3.43300 -1.71000 1.29300 1.000 H23 H -3.82400 0.00500 1.01700 1.000 H24 H -4.69400 -2.32600 -0.75100 1.000 H25 H -5.73300 -1.45400 0.40200 1.000 H26 H -5.08600 -0.61200 -1.02700 1.000 H27 H -0.04800 -1.24300 -1.15600 1.000 H28 H -0.09600 0.53500 -1.09400 1.000 H29 H 1.26200 -1.31200 0.91900 1.000 H30 H 1.14400 0.45600 1.08100 1.000 H31 H 3.63700 0.62500 1.06100 1.000 H32 H 4.97100 -0.86500 -1.24400 1.000 H33 H 6.91900 0.06700 -0.22300 1.000 H34 H 3.75500 -1.14400 0.89900 1.000 H35 H 4.85300 0.90300 -1.08200 1.000