# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'C7L' 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 8.42500 4.74800 -0.41000 1.000 C1 C -5.59100 -3.29700 -2.50600 1.000 C2 C -4.57700 -2.92800 -0.25300 1.000 O3 O 1.91200 -1.82900 1.20800 1.000 O4 O -4.95700 1.27500 -2.71400 1.000 O5 O -3.64300 2.17000 -0.78500 1.000 O6 O -1.20700 1.15000 -1.15400 1.000 C7 C 2.31400 -0.64800 4.57500 1.000 C8 C 2.72100 0.21600 3.57600 1.000 C9 C 1.02800 -1.15700 4.56700 1.000 C10 C 1.84400 0.57200 2.56900 1.000 C11 C 0.15000 -0.80000 3.56000 1.000 C12 C -5.87900 1.54500 0.96100 1.000 C13 C -7.00700 1.49900 1.75600 1.000 C14 C -7.13900 0.68700 -0.88800 1.000 C15 C 6.30400 3.63200 -0.44000 1.000 C16 C 5.58300 2.41200 -1.01700 1.000 C17 C 6.29300 -0.49000 -2.23100 1.000 C18 C 4.50000 -3.17600 -0.35200 1.000 C19 C -0.40000 0.45400 1.46500 1.000 C20 C -4.06100 -1.35800 -2.12700 1.000 C21 C -2.72700 -0.45000 -0.16900 1.000 N22 N -9.35200 0.99800 2.02800 1.000 N23 N 1.05900 -0.42800 -0.28900 1.000 O24 O 7.65900 3.64300 -0.89400 1.000 O25 O 6.16800 1.21900 -0.48900 1.000 O26 O 6.28200 -1.92800 -2.11200 1.000 O27 O 5.91700 -3.45300 -0.37100 1.000 O28 O 3.31600 -1.01800 -0.30700 1.000 C29 C 2.09000 -1.11700 0.23900 1.000 C30 C 0.55800 0.06400 2.56200 1.000 C31 C -5.94400 1.14000 -0.35900 1.000 C32 C -8.20900 1.04500 1.22800 1.000 C33 C -8.27100 0.63800 -0.09900 1.000 C34 C -5.14200 -2.23900 -1.49600 1.000 C35 C -1.33300 -0.21600 -0.75400 1.000 C36 C -0.27600 -0.53600 0.30500 1.000 C37 C 5.56400 0.01500 -0.96600 1.000 C38 C 4.37900 -1.78800 0.31400 1.000 N39 N -3.73400 -0.25900 -1.21600 1.000 C40 C 6.54900 -2.20500 -0.72200 1.000 C41 C 5.74800 -1.12400 0.05800 1.000 S42 S -4.50200 1.20000 -1.37000 1.000 H43 H 7.96800 5.68000 -0.74200 1.000 H44 H 8.45100 4.72300 0.67900 1.000 H45 H 9.44100 4.68300 -0.79900 1.000 H46 H -6.36100 -3.92400 -2.05700 1.000 H47 H -5.99400 -2.80600 -3.39200 1.000 H48 H -4.73900 -3.91400 -2.78900 1.000 H49 H -3.64500 -3.43200 -0.50900 1.000 H50 H -4.38700 -2.18400 0.52000 1.000 H51 H -5.29600 -3.66000 0.11600 1.000 H52 H -1.32400 1.78400 -0.43300 1.000 H53 H 3.00100 -0.93000 5.35900 1.000 H54 H 3.72600 0.61300 3.58300 1.000 H55 H 0.71000 -1.83200 5.34700 1.000 H56 H 2.16200 1.24700 1.78900 1.000 H57 H -0.85400 -1.19700 3.55400 1.000 H58 H -4.94500 1.90200 1.37000 1.000 H59 H -6.95600 1.81500 2.78700 1.000 H60 H -7.18700 0.37200 -1.92000 1.000 H61 H 5.80200 4.54100 -0.77200 1.000 H62 H 6.28600 3.58400 0.64900 1.000 H63 H 4.52800 2.45100 -0.74400 1.000 H64 H 5.67800 2.41300 -2.10200 1.000 H65 H 7.31800 -0.11900 -2.25200 1.000 H66 H 5.75700 -0.17900 -3.12800 1.000 H67 H 4.10500 -3.14600 -1.36700 1.000 H68 H 3.97500 -3.92800 0.23800 1.000 H69 H -1.41900 0.43700 1.85000 1.000 H70 H -0.16000 1.45700 1.11300 1.000 H71 H -3.16800 -1.95500 -2.31200 1.000 H72 H -4.42800 -0.95200 -3.07000 1.000 H73 H -2.79400 -1.46700 0.21700 1.000 H74 H -2.90600 0.25900 0.64000 1.000 H75 H -9.30800 1.28200 2.95500 1.000 H76 H -10.19100 0.68000 1.65800 1.000 H77 H 1.20100 0.14000 -1.06300 1.000 H78 H -9.20400 0.28500 -0.51300 1.000 H79 H -5.99400 -1.62100 -1.21400 1.000 H80 H -1.18900 -0.86300 -1.61900 1.000 H81 H -0.42800 -1.55000 0.67500 1.000 H82 H 4.50700 0.17700 -1.17500 1.000 H83 H 4.19800 -1.89300 1.38400 1.000 H84 H 7.61500 -2.19800 -0.49200 1.000 H85 H 6.23700 -0.79400 0.97500 1.000