# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CDH' 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 2.44900 -4.54700 -0.76800 1.000 C1 C 3.40600 -3.81800 -0.53600 1.000 O2 O 4.21200 -3.98300 0.54100 1.000 C3 C 3.84800 -2.68000 -1.43900 1.000 C4 C 2.74900 -1.65400 -1.56900 1.000 C5 C 2.19300 -1.38900 -2.76300 1.000 C6 C 2.27500 -0.94600 -0.32800 1.000 N7 N 5.06800 -2.05300 -0.98800 1.000 C8 C 6.01600 -1.54200 -1.86300 1.000 O9 O 5.92400 -1.56700 -3.08900 1.000 C10 C 7.19800 -0.90900 -1.13100 1.000 C11 C 6.79200 0.23900 -0.20300 1.000 S12 S 5.99500 1.63300 -1.06600 1.000 N13 N 8.18900 -0.50900 -2.10100 1.000 C14 C 9.54900 -0.57400 -1.83400 1.000 O15 O 10.04100 -0.96700 -0.78000 1.000 C16 C 10.37400 -0.09600 -3.01500 1.000 C17 C 11.87600 -0.16000 -2.74100 1.000 C18 C 12.68000 0.37100 -3.93600 1.000 C19 C 14.20100 0.39100 -3.72300 1.000 N20 N 14.73500 -0.95800 -3.54800 1.000 C21 C 14.59900 1.21900 -2.51800 1.000 O22 O 15.19800 0.81900 -1.53000 1.000 O23 O 14.20900 2.51100 -2.67900 1.000 H24 H 3.93400 -4.74400 1.09400 1.000 H25 H 4.09200 -3.13000 -2.40900 1.000 H26 H 2.52400 -1.89100 -3.66600 1.000 H27 H 1.39400 -0.66200 -2.86500 1.000 H28 H 1.96100 -1.66600 0.43300 1.000 H29 H 1.41900 -0.29300 -0.53100 1.000 H30 H 3.07000 -0.32000 0.08900 1.000 H31 H 5.24700 -2.02800 0.01200 1.000 H32 H 7.67400 -1.69400 -0.53000 1.000 H33 H 6.09500 -0.11400 0.56300 1.000 H34 H 7.67500 0.63400 0.31000 1.000 H35 H 4.97000 1.75200 -0.21200 1.000 H36 H 7.86900 -0.16000 -3.00000 1.000 H37 H 10.07900 0.93600 -3.24300 1.000 H38 H 10.12500 -0.71800 -3.88200 1.000 H39 H 12.16000 -1.19700 -2.52600 1.000 H40 H 12.10600 0.42600 -1.84300 1.000 H41 H 12.45200 -0.24000 -4.81900 1.000 H42 H 12.33500 1.38700 -4.16900 1.000 H43 H 14.68500 0.83300 -4.60200 1.000 H44 H 14.79800 -1.32000 -2.62200 1.000 H45 H 15.20000 -1.38100 -4.32200 1.000 H46 H 14.46800 3.06900 -1.91400 1.000