# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '96C' 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 6.81100 2.12400 -0.35500 1.000 C1 C 5.76900 1.06100 -0.00000 1.000 O2 O 4.60300 1.25000 -0.80400 1.000 C3 C 3.57400 0.38200 -0.61300 1.000 C4 C 3.68500 -0.62600 0.33500 1.000 C5 C 2.64300 -1.50800 0.53100 1.000 C6 C 1.47700 -1.38600 -0.22300 1.000 C7 C 0.35400 -2.33300 -0.01300 1.000 C8 C 0.44100 -3.69200 0.01600 1.000 N9 N -0.79800 -4.18100 0.23000 1.000 C10 C -1.15400 -5.59800 0.33300 1.000 N11 N -1.68600 -3.10400 0.33800 1.000 C12 C -1.00400 -1.98800 0.19900 1.000 C13 C -1.55900 -0.61400 0.24600 1.000 C14 C -0.80800 0.42400 0.79500 1.000 C15 C -1.32500 1.70700 0.83300 1.000 O16 O -0.59200 2.72000 1.36800 1.000 C17 C 0.70400 2.38700 1.87200 1.000 C18 C -2.59400 1.96200 0.32500 1.000 O19 O -3.10100 3.22400 0.36300 1.000 C20 C -2.83700 4.06400 -0.76200 1.000 C21 C -3.34600 0.92800 -0.22300 1.000 O22 O -4.58600 1.17900 -0.72000 1.000 C23 C -5.30200 0.07000 -1.26800 1.000 C24 C -2.83100 -0.35700 -0.26200 1.000 C25 C 1.36800 -0.37200 -1.17300 1.000 C26 C 2.41200 0.51000 -1.36100 1.000 H27 H 7.07700 2.03500 -1.40800 1.000 H28 H 6.39700 3.11500 -0.16700 1.000 H29 H 7.70000 1.98000 0.25900 1.000 H30 H 6.18300 0.07000 -0.18800 1.000 H31 H 5.50300 1.15000 1.05300 1.000 H32 H 4.58900 -0.72000 0.91800 1.000 H33 H 2.73100 -2.29300 1.26800 1.000 H34 H 1.34200 -4.27500 -0.11000 1.000 H35 H -1.08000 -5.91700 1.37200 1.000 H36 H -2.17500 -5.74300 -0.02000 1.000 H37 H -0.47200 -6.19000 -0.27800 1.000 H38 H 0.17800 0.22700 1.19000 1.000 H39 H 0.60600 1.64600 2.66500 1.000 H40 H 1.31300 1.97800 1.06600 1.000 H41 H 1.18000 3.28300 2.26900 1.000 H42 H -3.25300 3.60800 -1.66100 1.000 H43 H -3.29600 5.03900 -0.60300 1.000 H44 H -1.76000 4.18400 -0.88100 1.000 H45 H -4.73500 -0.35500 -2.09600 1.000 H46 H -5.44300 -0.68800 -0.49800 1.000 H47 H -6.27400 0.40700 -1.62900 1.000 H48 H -3.41400 -1.15900 -0.69200 1.000 H49 H 0.46600 -0.27500 -1.75900 1.000 H50 H 2.32600 1.29800 -2.09400 1.000