# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '00P' 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 -5.07500 -0.76100 -0.68300 1.000 N1 N -4.02100 -0.36700 0.25600 1.000 C2 C -6.40100 -0.90100 0.06800 1.000 N3 N -10.50000 -0.33900 1.12400 1.000 C4 C -7.47300 -1.43200 -0.88600 1.000 C5 C -8.79900 -1.57100 -0.13500 1.000 C6 C -9.22700 -0.20500 0.40300 1.000 C7 C -8.15400 0.32600 1.35700 1.000 C8 C -6.82800 0.46600 0.60600 1.000 N9 N 1.53300 0.24000 -0.89100 1.000 C10 C 1.10900 1.50500 -1.10600 1.000 O11 O 1.71300 2.36600 -1.71600 1.000 N12 N -0.08600 1.64500 -0.53400 1.000 N13 N -0.41200 0.40300 0.06300 1.000 C14 C 0.59800 -0.43000 -0.18200 1.000 O15 O 0.67000 -1.58900 0.17700 1.000 C16 C -1.00400 2.78400 -0.45200 1.000 C17 C -1.72800 2.69000 0.87200 1.000 C18 C -2.02900 1.54400 1.42300 1.000 C19 C -1.67700 0.22100 0.78100 1.000 C20 C -2.76100 -0.18400 -0.18400 1.000 O21 O -2.49900 -0.34500 -1.35700 1.000 C22 C 2.80500 -0.31900 -1.35800 1.000 C23 C 3.88200 -0.09200 -0.29600 1.000 S24 S 5.45600 -0.78400 -0.87400 1.000 O25 O 5.38800 -2.20200 -0.92800 1.000 O26 O 5.95800 -0.03200 -1.97000 1.000 C27 C 6.58900 -0.45300 0.43500 1.000 C28 C 6.75700 -1.37400 1.45200 1.000 C29 C 7.64500 -1.11500 2.47900 1.000 C30 C 8.36600 0.06500 2.48900 1.000 C31 C 8.19700 0.98600 1.47100 1.000 C32 C 7.31400 0.72400 0.44100 1.000 H33 H -5.17400 -0.00100 -1.45700 1.000 H34 H -4.81500 -1.71500 -1.14100 1.000 H35 H -4.23100 -0.23800 1.19400 1.000 H36 H -6.27700 -1.59600 0.89800 1.000 H37 H -10.80400 0.55100 1.49000 1.000 H38 H -11.20800 -0.74800 0.53400 1.000 H39 H -7.59700 -0.73700 -1.71600 1.000 H40 H -7.16800 -2.40600 -1.26900 1.000 H41 H -9.56300 -1.95000 -0.81400 1.000 H42 H -8.67500 -2.26600 0.69600 1.000 H43 H -9.35100 0.49000 -0.42700 1.000 H44 H -8.45900 1.30000 1.74000 1.000 H45 H -8.03000 -0.36800 2.18700 1.000 H46 H -6.06500 0.84500 1.28500 1.000 H47 H -6.95300 1.16100 -0.22500 1.000 H48 H -0.44100 3.71700 -0.49900 1.000 H49 H -1.72000 2.74300 -1.27200 1.000 H50 H -2.00700 3.60100 1.37900 1.000 H51 H -2.54800 1.54200 2.37000 1.000 H52 H -1.56000 -0.54300 1.55000 1.000 H53 H 2.68800 -1.38800 -1.53500 1.000 H54 H 3.09900 0.17400 -2.28500 1.000 H55 H 3.99900 0.97700 -0.11800 1.000 H56 H 3.58800 -0.58400 0.63200 1.000 H57 H 6.19400 -2.29600 1.44500 1.000 H58 H 7.77600 -1.83400 3.27400 1.000 H59 H 9.05900 0.26800 3.29100 1.000 H60 H 8.76000 1.90800 1.47900 1.000 H61 H 7.18200 1.44300 -0.35400 1.000