# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '0OE' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy N0 N 4.46400 1.93500 -1.74100 1.000 N1 N 4.58400 1.01800 -2.79100 1.000 C2 C 3.51000 0.27800 -2.84000 1.000 C3 C 2.63800 0.68900 -1.81200 1.000 C4 C 3.26400 1.72900 -1.13200 1.000 C5 C 2.72600 2.47300 0.02500 1.000 C6 C 2.81000 3.86600 0.06300 1.000 C7 C 2.30500 4.55600 1.14700 1.000 C8 C 1.71500 3.86800 2.19400 1.000 C9 C 1.63000 2.48700 2.16200 1.000 C10 C 2.12600 1.78700 1.08200 1.000 C11 C 1.31000 0.11900 -1.51000 1.000 N12 N 1.03200 -1.21800 -1.40700 1.000 C13 C -0.31400 -1.33500 -1.11500 1.000 C14 C -0.81600 -0.02200 -1.05100 1.000 N15 N 0.22100 0.81700 -1.29500 1.000 C16 C -1.15900 -2.41600 -0.90000 1.000 C17 C -2.48100 -2.21000 -0.62400 1.000 C18 C -2.99700 -0.91100 -0.55700 1.000 C19 C -2.16800 0.18300 -0.76600 1.000 C20 C -4.43400 -0.70200 -0.25700 1.000 C21 C -5.26800 -1.80100 -0.04400 1.000 C22 C -6.60200 -1.60800 0.23300 1.000 C23 C -7.12200 -0.31200 0.30200 1.000 C24 C -6.28500 0.78700 0.08800 1.000 C25 C -4.95000 0.59200 -0.18400 1.000 C26 C -8.55200 -0.10500 0.59900 1.000 O27 O -9.05200 1.14500 0.66400 1.000 O28 O -9.27900 -1.06000 0.78400 1.000 Cl29 Cl 2.40800 6.28800 1.19700 1.000 C30 C 1.98300 -2.31900 -1.57400 1.000 C31 C 2.64700 -2.62900 -0.23100 1.000 C32 C 3.64100 -3.77900 -0.40600 1.000 N33 N 4.27700 -4.07500 0.88000 1.000 C34 C 5.40900 -3.51800 1.36100 1.000 N35 N 5.66200 -4.03200 2.53400 1.000 C36 C 4.71000 -4.92600 2.84000 1.000 C37 C 3.83100 -4.96400 1.82100 1.000 H38 H 5.12300 2.60100 -1.48800 1.000 H39 H 3.32100 -0.51400 -3.54900 1.000 H40 H 3.27000 4.40300 -0.75400 1.000 H41 H 1.32100 4.41100 3.04000 1.000 H42 H 1.16900 1.95700 2.98300 1.000 H43 H 2.05800 0.70900 1.05900 1.000 H44 H -0.77000 -3.42200 -0.95000 1.000 H45 H -3.13200 -3.05500 -0.45800 1.000 H46 H -2.56700 1.18500 -0.71400 1.000 H47 H -4.86700 -2.80200 -0.09700 1.000 H48 H -7.24800 -2.45800 0.39800 1.000 H49 H -6.68400 1.78900 0.14500 1.000 H50 H -4.30300 1.44100 -0.34900 1.000 H51 H -9.99500 1.23100 0.86200 1.000 H52 H 1.45600 -3.20400 -1.93100 1.000 H53 H 2.74600 -2.03400 -2.29900 1.000 H54 H 3.17500 -1.74400 0.12600 1.000 H55 H 1.88500 -2.91400 0.49400 1.000 H56 H 3.11400 -4.66300 -0.76300 1.000 H57 H 4.40300 -3.49300 -1.13100 1.000 H58 H 6.00600 -2.77200 0.85900 1.000 H59 H 4.65700 -5.51100 3.74600 1.000 H60 H 2.94500 -5.57900 1.75700 1.000