# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '96N' 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 -1.73000 0.28700 0.21200 1.000 C1 C 1.79900 1.67400 0.19200 1.000 C2 C -0.58500 1.19100 0.04500 1.000 C3 C -2.90700 -1.53300 0.68800 1.000 C4 C -3.79300 -0.56700 0.23700 1.000 C5 C 3.60000 1.19800 1.84000 1.000 C6 C 4.76500 0.54900 2.24600 1.000 C7 C 5.39900 -0.33200 1.42600 1.000 C8 C 4.87400 -0.59500 0.14900 1.000 C9 C 3.68900 0.06400 -0.26400 1.000 C10 C -3.02900 0.58600 -0.06700 1.000 C11 C -3.55400 1.89500 -0.59800 1.000 C12 C -3.55100 1.86200 -2.12800 1.000 C13 C -5.24500 -0.71300 0.09500 1.000 C14 C -6.16000 -0.26700 1.20600 1.000 C15 C 5.50100 -1.49900 -0.72500 1.000 C16 C 4.96300 -1.72800 -1.95500 1.000 C17 C 3.79900 -1.08000 -2.36100 1.000 C18 C 3.16400 -0.20000 -1.54000 1.000 N19 N -1.67100 -1.01100 0.67200 1.000 C20 C -3.27000 -2.92700 1.12800 1.000 N21 N 0.65700 0.77200 0.35900 1.000 O22 O -0.75800 2.31900 -0.37700 1.000 O23 O -5.71000 -1.19400 -0.91700 1.000 C24 C 3.06200 0.96800 0.61100 1.000 H25 H 1.87800 1.97100 -0.85300 1.000 H26 H 1.65500 2.56000 0.81200 1.000 H27 H 3.11400 1.89000 2.51200 1.000 H28 H 5.17000 0.75000 3.22700 1.000 H29 H 6.30100 -0.82700 1.75500 1.000 H30 H -4.57100 2.05100 -0.24000 1.000 H31 H -2.91700 2.70900 -0.25100 1.000 H32 H -3.93100 2.80900 -2.51200 1.000 H33 H -2.53400 1.70600 -2.48600 1.000 H34 H -4.18800 1.04800 -2.47500 1.000 H35 H -6.50500 0.74800 1.00700 1.000 H36 H -7.01700 -0.93700 1.26300 1.000 H37 H -5.62000 -0.28800 2.15300 1.000 H38 H 6.40400 -2.00800 -0.42400 1.000 H39 H 5.44700 -2.42300 -2.62600 1.000 H40 H 3.39300 -1.28100 -3.34200 1.000 H41 H 2.26200 0.29500 -1.86900 1.000 H42 H -0.86300 -1.47600 0.93900 1.000 H43 H -3.32500 -3.58000 0.25700 1.000 H44 H -2.51100 -3.30100 1.81500 1.000 H45 H -4.23700 -2.90900 1.63000 1.000 H46 H 0.79400 -0.12700 0.69500 1.000