# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CDO' 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 7.15300 0.71700 0.72600 1.000 C1 C 7.59500 -0.27400 -0.14800 1.000 N2 N 6.76900 -1.22700 -0.56000 1.000 C3 C 5.51700 -1.27700 -0.15600 1.000 C4 C 5.01100 -0.32500 0.71100 1.000 C5 C 5.83900 0.69200 1.16300 1.000 C6 C 3.57400 -0.39200 1.16100 1.000 C7 C 8.99900 -0.26100 -0.62500 1.000 N8 N 9.81200 0.67400 -0.22900 1.000 N9 N 9.44200 -1.23800 -1.48900 1.000 N10 N 2.73600 0.36800 0.23000 1.000 C11 C 1.40600 0.44900 0.43300 1.000 C12 C 0.54400 1.23000 -0.52400 1.000 O13 O 0.90300 -0.10800 1.38600 1.000 C14 C 0.95900 2.67800 -0.52400 1.000 C15 C -0.03500 3.43000 -0.14300 1.000 C16 C -1.24100 2.58000 0.15900 1.000 N17 N -0.86000 1.17900 -0.09000 1.000 C18 C -1.63400 0.08500 0.05300 1.000 C19 C -3.06100 0.22600 0.51600 1.000 O20 O -1.18200 -1.01400 -0.19100 1.000 N21 N -3.60100 -1.09800 0.85000 1.000 C22 C -3.69800 -1.84500 -0.41200 1.000 C23 C -4.32700 -3.19000 -0.15300 1.000 O24 O -4.51600 -4.04800 -1.16700 1.000 O25 O -4.66000 -3.49500 0.96800 1.000 C26 C -3.89900 0.85300 -0.60000 1.000 C27 C -5.30300 1.15900 -0.07400 1.000 C28 C -6.08300 1.94600 -1.12800 1.000 C29 C -7.48600 2.25200 -0.60100 1.000 C30 C -8.21500 0.94100 -0.30100 1.000 C31 C -7.43500 0.15300 0.75300 1.000 C32 C -6.03200 -0.15300 0.22600 1.000 H33 H 7.82600 1.49400 1.05800 1.000 H34 H 4.87500 -2.07100 -0.51000 1.000 H35 H 5.46800 1.44600 1.84100 1.000 H36 H 3.24700 -1.43200 1.17800 1.000 H37 H 3.48600 0.03400 2.16000 1.000 H38 H 9.50000 1.36300 0.38000 1.000 H39 H 10.36000 -1.22900 -1.80200 1.000 H40 H 8.83600 -1.93700 -1.78200 1.000 H41 H 3.13800 0.81300 -0.53200 1.000 H42 H 0.63600 0.81800 -1.52900 1.000 H43 H 1.93900 3.04000 -0.79900 1.000 H44 H 0.00000 4.50600 -0.05600 1.000 H45 H -1.53300 2.70700 1.20200 1.000 H46 H -2.06600 2.86000 -0.49500 1.000 H47 H -3.09500 0.86500 1.39800 1.000 H48 H -2.90300 -1.56400 1.40900 1.000 H49 H -4.31200 -1.28700 -1.11800 1.000 H50 H -2.70000 -1.98500 -0.82900 1.000 H51 H -4.92000 -4.91100 -1.00100 1.000 H52 H -3.42700 1.77700 -0.93400 1.000 H53 H -3.96900 0.15700 -1.43700 1.000 H54 H -5.22700 1.74900 0.83900 1.000 H55 H -5.56300 2.88000 -1.34200 1.000 H56 H -6.15800 1.35500 -2.04100 1.000 H57 H -7.41100 2.84300 0.31200 1.000 H58 H -8.04200 2.81300 -1.35300 1.000 H59 H -9.21500 1.15800 0.07400 1.000 H60 H -8.29100 0.35000 -1.21400 1.000 H61 H -7.36000 0.74400 1.66600 1.000 H62 H -7.95500 -0.78100 0.96700 1.000 H63 H -6.10700 -0.74400 -0.68600 1.000 H64 H -5.47600 -0.71400 0.97800 1.000