# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9R8' 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 1.12200 2.04400 0.06400 1.000 C1 C 1.55300 3.19200 -0.63000 1.000 C2 C 2.89800 3.44900 -0.78300 1.000 O3 O 0.63900 4.04900 -1.15000 1.000 C4 C 3.41500 1.42100 0.44600 1.000 C5 C 3.84100 2.57200 -0.25000 1.000 C6 C 4.62900 0.72600 0.86900 1.000 C7 C 4.69000 -0.56200 1.64800 1.000 C8 C 4.71300 -1.72700 0.69200 1.000 C9 C 3.52700 -2.30000 0.27300 1.000 C10 C 4.75500 -3.86400 -1.06100 1.000 C11 C 5.92000 -2.21900 0.23100 1.000 C12 C 7.25700 -3.83000 -1.14000 1.000 C13 C -4.40900 1.06800 0.10200 1.000 C14 C -3.05000 1.31300 0.08900 1.000 C15 C -2.62500 -1.02900 0.43500 1.000 N16 N -6.25700 -0.47200 0.30600 1.000 C17 C -6.89500 0.00700 -0.92900 1.000 C18 C -8.40500 -0.22900 -0.84100 1.000 C19 C -8.04700 -2.11800 0.58700 1.000 C20 C -6.53300 -1.90100 0.51400 1.000 C21 C 2.05300 1.16200 0.59900 1.000 C22 C -0.32000 1.78100 0.22700 1.000 O23 O -1.09700 2.70800 0.34900 1.000 N24 N 5.21000 2.55500 -0.23700 1.000 N25 N 5.64900 1.42000 0.45100 1.000 C26 C 5.94100 -3.28700 -0.64600 1.000 C27 C 3.54800 -3.36500 -0.60800 1.000 C28 C -2.15500 0.26500 0.25500 1.000 C29 C -4.88000 -0.22500 0.28700 1.000 C30 C -3.98400 -1.27300 0.45400 1.000 N31 N -0.77600 0.51300 0.24100 1.000 C32 C 0.17000 -0.60600 0.24200 1.000 O33 O -8.65300 -1.61800 -0.60800 1.000 H34 H 3.22200 4.33000 -1.31600 1.000 H35 H 0.37300 4.75500 -0.54500 1.000 H36 H 5.59300 -0.57500 2.25900 1.000 H37 H 3.81500 -0.63800 2.29300 1.000 H38 H 2.58500 -1.91600 0.63400 1.000 H39 H 4.77100 -4.70400 -1.74000 1.000 H40 H 6.84600 -1.76800 0.55500 1.000 H41 H 7.54000 -3.31600 -2.05900 1.000 H42 H 8.02400 -3.67000 -0.38300 1.000 H43 H 7.15800 -4.89800 -1.33700 1.000 H44 H -5.10600 1.88300 -0.02800 1.000 H45 H -2.68400 2.31900 -0.05100 1.000 H46 H -1.92800 -1.84400 0.56400 1.000 H47 H -6.69900 1.07200 -1.05000 1.000 H48 H -6.49100 -0.53700 -1.78200 1.000 H49 H -8.81800 0.35800 -0.02000 1.000 H50 H -8.87600 0.07300 -1.77700 1.000 H51 H -8.25800 -3.18300 0.68400 1.000 H52 H -8.45000 -1.58700 1.45000 1.000 H53 H -6.12300 -2.47600 -0.31700 1.000 H54 H -6.07300 -2.22900 1.44600 1.000 H55 H 1.72400 0.28200 1.13200 1.000 H56 H 5.78400 3.22400 -0.64200 1.000 H57 H 2.62200 -3.81600 -0.93200 1.000 H58 H -4.35000 -2.28000 0.59300 1.000 H59 H 0.33300 -0.94300 1.26600 1.000 H60 H -0.23700 -1.42600 -0.35000 1.000 H61 H 1.11700 -0.28100 -0.18900 1.000