# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CD6' 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 -5.29300 1.15000 0.81700 1.000 O1 O -1.86600 3.01700 -0.62200 1.000 O2 O 2.09100 -0.71900 0.81100 1.000 O3 O 0.75900 -3.34300 -0.73400 1.000 O4 O -4.03800 3.07400 -0.17700 1.000 C5 C 6.38800 0.98300 0.95900 1.000 C6 C 6.22800 -0.16800 0.21000 1.000 C7 C 5.37300 1.92000 1.01200 1.000 C8 C 5.05400 -0.38100 -0.48800 1.000 C9 C 4.20100 1.71000 0.30900 1.000 C10 C -4.56300 -1.13500 0.22700 1.000 C11 C 2.75900 0.32500 -1.19700 1.000 N12 N -2.02300 0.28700 -0.45500 1.000 N13 N 0.55900 -0.73000 -0.79400 1.000 S14 S -3.00000 -1.92100 0.73700 1.000 C15 C -4.34700 0.36300 0.31400 1.000 C16 C -3.03000 2.41300 -0.32000 1.000 C17 C 1.78000 -0.41200 -0.32000 1.000 C18 C -0.13100 -2.92800 -0.03100 1.000 C19 C -3.08200 0.93500 -0.16300 1.000 C20 C 4.03900 0.55700 -0.43600 1.000 C21 C -1.81900 -1.15200 -0.41000 1.000 C22 C -0.39300 -1.44700 0.05900 1.000 H23 H -6.26400 0.74200 1.05800 1.000 H24 H -5.08900 2.19600 0.99000 1.000 H25 H -1.88200 3.98000 -0.71400 1.000 H26 H 7.30300 1.14700 1.50800 1.000 H27 H 7.02100 -0.90000 0.16900 1.000 H28 H 5.49600 2.81700 1.60100 1.000 H29 H 4.92900 -1.28000 -1.07300 1.000 H30 H 3.40900 2.44300 0.34900 1.000 H31 H -4.80600 -1.41800 -0.79800 1.000 H32 H -5.36900 -1.43500 0.89600 1.000 H33 H 2.96800 -0.26800 -2.08700 1.000 H34 H 2.33300 1.28400 -1.49200 1.000 H35 H 0.31000 -0.48500 -1.69900 1.000 H36 H -0.73900 -3.61900 0.53400 1.000 H37 H -1.96200 -1.56800 -1.40700 1.000 H38 H -0.27500 -1.11900 1.09100 1.000