# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'C1A' 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 -1.32300 -1.21500 2.30100 1.000 C1 C -0.63300 -0.58200 1.12000 1.000 C2 C 0.60400 0.01300 1.28000 1.000 C3 C 1.23700 0.59400 0.19700 1.000 C4 C 2.58500 1.24400 0.37100 1.000 S5 S 3.88600 0.01800 0.08800 1.000 C6 C 5.31200 1.01900 0.34900 1.000 N7 N 5.17700 2.27900 0.65400 1.000 N8 N 6.57300 0.46900 0.23000 1.000 C9 C 6.72000 -0.83100 -0.20400 1.000 N10 N 5.68000 -1.50500 -0.60600 1.000 N11 N 7.96400 -1.41600 -0.21400 1.000 C12 C 0.63200 0.57900 -1.04600 1.000 C13 C 1.32200 1.21200 -2.22700 1.000 C14 C -0.60500 -0.01700 -1.20600 1.000 C15 C -1.23600 -0.60100 -0.12400 1.000 C16 C -2.58200 -1.25600 -0.29900 1.000 S17 S -3.88800 -0.03400 -0.02100 1.000 C18 C -5.31000 -1.04000 -0.28300 1.000 N19 N -5.16900 -2.30000 -0.58500 1.000 N20 N -6.57200 -0.49500 -0.16800 1.000 C21 C -6.72100 0.86100 0.03800 1.000 N22 N -5.67900 1.64200 0.01500 1.000 N23 N -7.97000 1.38800 0.26600 1.000 H24 H 2.69100 2.05800 -0.34500 1.000 H25 H 2.67100 1.63700 1.38400 1.000 H26 H 5.95800 2.81300 0.86900 1.000 H27 H 7.35500 0.99800 0.45300 1.000 H28 H 5.78300 -2.42000 -0.91100 1.000 H29 H 8.73800 -0.91400 0.08400 1.000 H30 H 8.06700 -2.33100 -0.52000 1.000 H31 H 1.94600 0.47000 -2.72400 1.000 H32 H 0.57400 1.58500 -2.92800 1.000 H33 H 1.94400 2.03900 -1.88500 1.000 H34 H -1.07700 -0.02900 -2.17800 1.000 H35 H -2.66400 -1.65200 -1.31100 1.000 H36 H -2.68700 -2.06900 0.41900 1.000 H37 H -5.95000 -2.87200 -0.65800 1.000 H38 H -7.35400 -1.06500 -0.23100 1.000 H39 H -5.78400 2.59500 0.15900 1.000 H40 H -8.74700 0.80700 0.28300 1.000 H41 H -8.07500 2.34200 0.41000 1.000 H42 H -1.94700 -0.47300 2.79800 1.000 H43 H -1.94500 -2.04200 1.95800 1.000 H44 H -0.57600 -1.58900 3.00100 1.000 H45 H 1.07600 0.02500 2.25100 1.000