# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CHO' 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 5.38200 -2.03600 0.19500 1.000 C1 C 5.83900 -1.55800 -1.18400 1.000 C2 C 6.77100 -0.35500 -1.02400 1.000 O3 O 7.19400 0.09400 -2.31300 1.000 C4 C 6.02700 0.77500 -0.31000 1.000 C5 C 5.57000 0.29500 1.06900 1.000 C6 C 4.82500 1.42700 1.78000 1.000 C7 C 3.60800 1.83900 0.94800 1.000 O8 O 4.04000 2.28600 -0.33800 1.000 C9 C 2.67300 0.64000 0.78500 1.000 C10 C 3.42500 -0.49200 0.06600 1.000 C11 C 4.63500 -0.90500 0.90500 1.000 C12 C 2.52300 -1.69600 -0.17900 1.000 C13 C 1.24900 -1.29600 -0.94300 1.000 C14 C 0.55000 -0.22800 -0.12600 1.000 C15 C 1.48500 1.01100 -0.08300 1.000 C16 C 0.55200 2.08500 0.48600 1.000 C17 C -0.78200 1.81700 -0.26300 1.000 C18 C -0.74600 0.33200 -0.70300 1.000 C19 C 0.30500 -0.74100 1.29400 1.000 C20 C 4.17000 -1.38400 2.28200 1.000 C21 C -1.94900 -0.42000 -0.13200 1.000 C22 C -1.91800 -1.87200 -0.61300 1.000 C23 C -3.24100 0.24800 -0.60800 1.000 C24 C -4.44000 -0.42600 0.06200 1.000 C25 C -5.71300 0.23100 -0.40600 1.000 O26 O -5.66500 1.14900 -1.19800 1.000 N27 N -6.90300 -0.20000 0.05500 1.000 C28 C -8.14000 0.43900 -0.40100 1.000 C29 C -9.32100 -0.22500 0.25900 1.000 O30 O -9.14800 -1.13800 1.03100 1.000 O31 O -10.56600 0.19900 -0.01100 1.000 H32 H 4.72000 -2.89500 0.08100 1.000 H33 H 6.25200 -2.32500 0.78600 1.000 H34 H 6.37000 -2.36400 -1.69100 1.000 H35 H 4.96900 -1.26800 -1.77400 1.000 H36 H 7.64100 -0.64500 -0.43600 1.000 H37 H 7.67400 -0.57300 -2.82300 1.000 H38 H 6.69200 1.63200 -0.19500 1.000 H39 H 5.15700 1.06700 -0.89900 1.000 H40 H 6.43900 0.00400 1.66000 1.000 H41 H 4.49500 1.08400 2.76100 1.000 H42 H 5.49000 2.28200 1.89900 1.000 H43 H 3.07900 2.64600 1.45500 1.000 H44 H 4.63700 3.04500 -0.31100 1.000 H45 H 2.34000 0.29600 1.76400 1.000 H46 H 3.77400 -0.12500 -0.89900 1.000 H47 H 3.06900 -2.43900 -0.76000 1.000 H48 H 2.24100 -2.13200 0.78000 1.000 H49 H 1.51400 -0.90000 -1.92300 1.000 H50 H 0.59700 -2.16200 -1.05700 1.000 H51 H 1.81700 1.27400 -1.08700 1.000 H52 H 0.42300 1.95500 1.56100 1.000 H53 H 0.92800 3.08300 0.26000 1.000 H54 H -1.62700 1.98900 0.40400 1.000 H55 H -0.85700 2.46500 -1.13700 1.000 H56 H -0.73700 0.26100 -1.79100 1.000 H57 H 1.25500 -1.02200 1.74800 1.000 H58 H -0.16400 0.04400 1.88800 1.000 H59 H -0.35200 -1.61000 1.25800 1.000 H60 H 5.03500 -1.67600 2.87600 1.000 H61 H 3.63700 -0.57700 2.78600 1.000 H62 H 3.50500 -2.24000 2.16400 1.000 H63 H -1.90800 -0.39700 0.95700 1.000 H64 H -1.89000 -1.89300 -1.70200 1.000 H65 H -1.03200 -2.36800 -0.21600 1.000 H66 H -2.81100 -2.39000 -0.26300 1.000 H67 H -3.22300 1.30400 -0.34200 1.000 H68 H -3.32500 0.14600 -1.69000 1.000 H69 H -4.45800 -1.48300 -0.20300 1.000 H70 H -4.35600 -0.32500 1.14400 1.000 H71 H -6.94100 -0.93400 0.68800 1.000 H72 H -8.12200 1.49600 -0.13500 1.000 H73 H -8.22400 0.33800 -1.48300 1.000 H74 H -11.29200 -0.25800 0.43700 1.000