# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'J20' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy O0 O -0.39800 -5.76500 0.88400 1.000 C1 C -0.59000 -4.58000 0.70500 1.000 C2 C 0.54600 -3.67000 0.54700 1.000 C3 C 0.32700 -2.28600 0.33800 1.000 C4 C -1.00500 -1.76600 0.27800 1.000 C5 C -2.09800 -1.34000 0.23000 1.000 C6 C -3.43100 -0.81900 0.17000 1.000 C7 C -3.64200 0.54800 -0.03700 1.000 C8 C -4.92600 1.04300 -0.09300 1.000 C9 C -6.01100 0.18800 0.05600 1.000 O10 O -7.27500 0.68100 -0.00000 1.000 C11 C -5.80600 -1.17100 0.26200 1.000 C12 C -4.52600 -1.67700 0.31400 1.000 C13 C 1.42000 -1.43700 0.19000 1.000 C14 C 2.71400 -1.94200 0.24800 1.000 C15 C 2.91500 -3.31400 0.45600 1.000 C16 C 1.85600 -4.15900 0.60800 1.000 C17 C 1.52000 0.05100 -0.04100 1.000 C18 C 2.99500 0.36200 -0.11100 1.000 C19 C 3.68300 1.53900 -0.30300 1.000 C20 C 5.07300 1.53600 -0.32400 1.000 O21 O 5.75200 2.69700 -0.51300 1.000 C22 C 5.76700 0.34500 -0.15200 1.000 C23 C 5.08200 -0.83500 0.04000 1.000 C24 C 3.68500 -0.83600 0.06300 1.000 C25 C 0.84900 0.42200 -1.33800 1.000 C26 C 1.37700 -0.01700 -2.53800 1.000 C27 C 0.76300 0.32100 -3.72900 1.000 C28 C -0.38400 1.10200 -3.72000 1.000 O29 O -0.98900 1.43500 -4.88900 1.000 C30 C -2.16600 2.24100 -4.80400 1.000 C31 C -0.91200 1.54000 -2.51400 1.000 C32 C -0.29700 1.19500 -1.32600 1.000 C33 C 0.88600 0.79800 1.10500 1.000 C34 C 0.37700 0.10100 2.18500 1.000 C35 C -0.20400 0.78300 3.23600 1.000 C36 C -0.27700 2.16800 3.20700 1.000 O37 O -0.84800 2.84200 4.24000 1.000 C38 C -0.88900 4.26700 4.14300 1.000 C39 C 0.23500 2.86500 2.12200 1.000 C40 C 0.82000 2.17800 1.07600 1.000 H41 H -1.59900 -4.19900 0.65700 1.000 H42 H -2.80000 1.21400 -0.15200 1.000 H43 H -5.09000 2.09900 -0.25200 1.000 H44 H -7.65500 0.69000 -0.88900 1.000 H45 H -6.65300 -1.83200 0.37700 1.000 H46 H -4.36800 -2.73400 0.47400 1.000 H47 H 3.92100 -3.70600 0.50000 1.000 H48 H 2.02800 -5.21200 0.77300 1.000 H49 H 3.14400 2.46500 -0.43800 1.000 H50 H 5.96300 3.16700 0.30500 1.000 H51 H 6.84600 0.34500 -0.16800 1.000 H52 H 5.62500 -1.75900 0.17200 1.000 H53 H 2.27000 -0.62500 -2.54500 1.000 H54 H 1.17600 -0.02100 -4.66600 1.000 H55 H -2.92400 1.71700 -4.22100 1.000 H56 H -1.92500 3.18700 -4.31900 1.000 H57 H -2.54800 2.43400 -5.80600 1.000 H58 H -1.80400 2.14800 -2.50400 1.000 H59 H -0.71000 1.53300 -0.38700 1.000 H60 H 0.43500 -0.97700 2.20700 1.000 H61 H -0.60200 0.23900 4.08000 1.000 H62 H -1.36900 4.67800 5.03000 1.000 H63 H 0.12700 4.65500 4.06600 1.000 H64 H -1.45500 4.55400 3.25700 1.000 H65 H 0.17900 3.94300 2.09700 1.000 H66 H 1.22200 2.72000 0.23300 1.000