# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '97E' 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 5.30500 -0.43000 -0.22000 1.000 C1 C 6.48000 -1.03400 -0.68200 1.000 C2 C 7.68000 -0.37900 -0.47200 1.000 N3 N 7.67700 0.78900 0.15400 1.000 N4 N 5.38700 0.74900 0.39600 1.000 O5 O -4.09400 -3.30600 1.31100 1.000 C6 C -4.50100 -2.24200 0.88600 1.000 N7 N -5.78600 -1.83900 0.90500 1.000 C8 C -5.85600 -0.57100 0.33200 1.000 C9 C -6.90000 0.30500 0.09500 1.000 C10 C -6.64600 1.53600 -0.51100 1.000 C11 C -7.72200 2.44800 -0.75900 1.000 N12 N -8.57600 3.17100 -0.95600 1.000 C13 C -5.34000 1.87900 -0.87700 1.000 C14 C -4.30400 1.00500 -0.63900 1.000 C15 C -4.55300 -0.22200 -0.03600 1.000 N16 N -3.73400 -1.28500 0.33000 1.000 C17 C -2.34900 -1.35100 0.14800 1.000 C18 C -1.80900 -2.26700 -0.74800 1.000 C19 C -0.44600 -2.33100 -0.93300 1.000 C20 C -1.51500 -0.49600 0.86000 1.000 C21 C -0.15000 -0.55800 0.68300 1.000 C22 C 0.39500 -1.47400 -0.21900 1.000 C23 C 1.85800 -1.54000 -0.41500 1.000 N24 N 2.52500 -2.51100 -1.00600 1.000 N25 N 3.78200 -2.24300 -1.00700 1.000 C26 C 3.99600 -1.08500 -0.41800 1.000 C27 C 6.55300 1.33200 0.57700 1.000 N28 N 2.77300 -0.60100 -0.02200 1.000 C29 C 2.51600 0.60600 0.64200 1.000 C30 C 2.26600 1.76200 -0.08700 1.000 Cl31 Cl 2.27100 1.71300 -1.82300 1.000 C32 C 2.01200 2.95100 0.57100 1.000 C33 C 2.00800 2.99000 1.95300 1.000 C34 C 2.25700 1.84000 2.68100 1.000 C35 C 2.50600 0.64800 2.03000 1.000 H36 H 6.45100 -1.98700 -1.18900 1.000 H37 H 8.60700 -0.81400 -0.81300 1.000 H38 H -6.53400 -2.34600 1.25700 1.000 H39 H -7.90700 0.03700 0.37900 1.000 H40 H -5.14400 2.83200 -1.34700 1.000 H41 H -3.29600 1.27200 -0.92300 1.000 H42 H -2.46000 -2.93000 -1.29900 1.000 H43 H -0.02700 -3.04400 -1.62800 1.000 H44 H -1.93700 0.21800 1.55200 1.000 H45 H 0.49800 0.10600 1.23700 1.000 H46 H 6.58900 2.28600 1.08400 1.000 H47 H 1.81800 3.85000 0.00500 1.000 H48 H 1.80900 3.92000 2.46500 1.000 H49 H 2.25300 1.87500 3.76000 1.000 H50 H 2.69500 -0.24900 2.59900 1.000