# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '96R' 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 -0.05500 1.82800 0.09100 1.000 C1 C -1.09400 2.70900 0.13500 1.000 C2 C -2.41200 2.26100 0.12300 1.000 C3 C -2.70000 0.92700 0.06600 1.000 C4 C -1.64900 -0.01200 0.01900 1.000 C5 C -0.31300 0.45100 0.02600 1.000 C6 C 0.74200 -0.49200 -0.02100 1.000 C7 C 0.41800 -1.82200 -0.07200 1.000 C8 C -0.92600 -2.21100 -0.07600 1.000 N9 N -1.90100 -1.32500 -0.04300 1.000 O10 O -3.99200 0.50700 0.05500 1.000 N11 N -1.23900 -3.56200 -0.12900 1.000 N12 N 2.07600 -0.07800 -0.01600 1.000 C13 C 3.07200 -0.54600 0.80200 1.000 C14 C 4.19400 0.12100 0.47200 1.000 N15 N 3.89700 0.97500 -0.52000 1.000 C16 C 2.63300 0.86200 -0.82500 1.000 H17 H 0.96300 2.18900 0.10200 1.000 H18 H -0.89200 3.76900 0.18100 1.000 H19 H -3.21800 2.97800 0.15900 1.000 H20 H 1.19800 -2.56800 -0.10900 1.000 H21 H -4.37100 0.42400 -0.83000 1.000 H22 H -0.53100 -4.22300 -0.16200 1.000 H23 H -2.16700 -3.84400 -0.13200 1.000 H24 H 2.97600 -1.30500 1.56500 1.000 H25 H 5.16500 -0.00800 0.92600 1.000 H26 H 2.11600 1.42500 -1.58700 1.000