# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CWY' 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 3.91600 -3.50300 -0.03300 1.000 C1 C 0.87400 0.00200 0.41000 1.000 O2 O 3.77900 3.73700 0.89300 1.000 C3 C 1.89700 0.94400 -0.25700 1.000 C4 C 2.94400 -1.24700 0.21400 1.000 N5 N -0.45700 0.19600 -0.17000 1.000 C6 C 3.82800 2.63700 0.12500 1.000 C7 C 3.11500 1.38200 0.55900 1.000 C8 C 3.20900 0.15000 -0.38400 1.000 C9 C 3.65800 -2.30700 -0.58500 1.000 O10 O -1.44300 -0.55000 1.67400 1.000 C11 C -1.55600 -0.11100 0.54600 1.000 C12 C -2.89900 0.08500 -0.04000 1.000 C13 C -4.03900 -0.23300 0.69900 1.000 C14 C -5.29400 -0.04500 0.14400 1.000 O15 O -6.40600 -0.35300 0.86100 1.000 C16 C -7.66800 -0.13500 0.22600 1.000 C17 C -5.41500 0.45700 -1.14500 1.000 C18 C -4.28600 0.77200 -1.87800 1.000 C19 C -3.03200 0.59500 -1.33300 1.000 C20 C 1.40200 -1.41900 0.09100 1.000 O21 O 4.44300 2.65400 -0.91500 1.000 N22 N 3.35600 -1.29900 1.62300 1.000 O23 O 3.99800 -2.08000 -1.72200 1.000 H24 H 4.37600 -4.15100 -0.58400 1.000 H25 H 0.84800 0.16800 1.48700 1.000 H26 H 4.25200 4.51700 0.57300 1.000 H27 H 1.54000 1.58200 -1.06600 1.000 H28 H -0.54700 0.54700 -1.07100 1.000 H29 H 3.09100 1.20400 1.63400 1.000 H30 H 3.83400 0.20400 -1.27500 1.000 H31 H -3.94300 -0.62400 1.70100 1.000 H32 H -7.76800 0.91900 -0.03100 1.000 H33 H -7.72800 -0.73700 -0.68000 1.000 H34 H -8.47100 -0.42100 0.90600 1.000 H35 H -6.39500 0.60200 -1.57500 1.000 H36 H -4.38800 1.16700 -2.87900 1.000 H37 H -2.15200 0.84200 -1.90900 1.000 H38 H 1.03400 -2.13800 0.82200 1.000 H39 H 1.12600 -1.71900 -0.92000 1.000 H40 H 3.12500 -2.19000 2.03500 1.000 H41 H 4.34100 -1.10100 1.71900 1.000