# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CCY' 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 1.29200 -0.27900 -0.47000 1.000 N1 N -0.16500 -0.21500 -0.21400 1.000 C2 C -0.40600 1.23000 0.00700 1.000 C3 C 0.91500 1.76800 0.51300 1.000 O4 O 1.07800 2.82800 1.07900 1.000 N5 N 1.88000 0.87100 0.22800 1.000 C6 C 3.29800 1.01900 0.56500 1.000 C7 C 4.01300 1.71100 -0.56700 1.000 O8 O 3.40100 2.04500 -1.55400 1.000 C9 C 1.86800 -1.58300 0.08500 1.000 N10 N 1.49700 -1.71900 1.50000 1.000 C11 C 1.30500 -2.76600 -0.70500 1.000 S12 S 1.98800 -4.31300 -0.04600 1.000 C13 C -1.50000 1.43400 1.05600 1.000 C14 C -2.80700 0.89900 0.52900 1.000 C15 C -3.15500 -0.42000 0.75600 1.000 C16 C -3.65800 1.73000 -0.17600 1.000 C17 C -4.35200 -0.91200 0.27400 1.000 C18 C -4.85700 1.24200 -0.66100 1.000 C19 C -5.20600 -0.08200 -0.43900 1.000 O20 O -6.38400 -0.56400 -0.91500 1.000 O21 O 5.33000 1.95500 -0.47900 1.000 H22 H 1.48800 -0.20800 -1.54000 1.000 H23 H -0.68700 -0.55100 -1.01000 1.000 H24 H -0.68000 1.71700 -0.92800 1.000 H25 H 3.39500 1.61300 1.47300 1.000 H26 H 3.73900 0.03500 0.72500 1.000 H27 H 2.95400 -1.56900 -0.00600 1.000 H28 H 0.49400 -1.73400 1.61100 1.000 H29 H 1.91800 -2.54000 1.90800 1.000 H30 H 0.21900 -2.78100 -0.61400 1.000 H31 H 1.58100 -2.66600 -1.75500 1.000 H32 H 1.41600 -5.25100 -0.82300 1.000 H33 H -1.23200 0.90100 1.96900 1.000 H34 H -1.60400 2.49700 1.27300 1.000 H35 H -2.49100 -1.06500 1.31100 1.000 H36 H -3.38600 2.76000 -0.34900 1.000 H37 H -4.62400 -1.94200 0.45100 1.000 H38 H -5.52100 1.89100 -1.21100 1.000 H39 H -7.12400 -0.46900 -0.30100 1.000 H40 H 5.74500 2.40100 -1.23000 1.000