# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '065' 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 -2.81500 4.11900 0.29500 1.000 O1 O -2.17200 5.30900 0.48200 1.000 C2 C -1.29100 5.45200 -0.64700 1.000 O3 O -1.01700 4.09400 -1.04100 1.000 C4 C -2.10800 3.37500 -0.64600 1.000 C5 C -2.56300 2.12000 -1.01600 1.000 C6 C -3.71700 1.60900 -0.45100 1.000 C7 C -4.41900 2.34800 0.48200 1.000 C8 C -3.97000 3.60100 0.85700 1.000 S9 S -4.29500 0.01300 -0.92400 1.000 O10 O -5.68900 -0.00700 -0.64900 1.000 O11 O -3.75300 -0.24400 -2.21200 1.000 N12 N -3.60000 -1.08400 0.10300 1.000 C13 C -4.27600 -1.44900 1.35100 1.000 C14 C -5.09600 -2.72100 1.13400 1.000 C15 C -5.70100 -3.17200 2.46500 1.000 C16 C -6.21900 -2.44000 0.13300 1.000 C17 C -2.31000 -1.69000 -0.23600 1.000 C18 C -1.18400 -0.90000 0.43300 1.000 O19 O -1.29600 -1.01900 1.85300 1.000 C20 C 0.16800 -1.45500 -0.02000 1.000 N21 N 1.24400 -0.62400 0.52500 1.000 C22 C 2.43900 -0.57600 -0.09700 1.000 O23 O 2.62300 -1.22100 -1.11000 1.000 O24 O 3.42800 0.18800 0.40400 1.000 C25 C 4.68800 0.19200 -0.31900 1.000 C26 C 4.70900 1.33100 -1.35400 1.000 O27 O 5.73700 2.25000 -0.96000 1.000 C28 C 6.71000 1.52200 -0.18600 1.000 O29 O 7.28300 2.40700 0.78600 1.000 C30 C 6.50100 2.40500 1.98500 1.000 C31 C 5.33400 1.41700 1.78000 1.000 C32 C 5.85500 0.51000 0.63800 1.000 C33 C 0.32500 -2.89000 0.48600 1.000 C34 C 2.78100 -3.34700 0.64300 1.000 C35 C 3.95000 -3.88700 0.14000 1.000 C36 C 3.93700 -4.55900 -1.06800 1.000 C37 C 2.75500 -4.69200 -1.77200 1.000 C38 C 1.58600 -4.15200 -1.27000 1.000 C39 C 1.59900 -3.47900 -0.06200 1.000 H40 H 7.46400 1.04000 -0.80900 1.000 H41 H 6.40400 -0.37100 0.97200 1.000 H42 H 4.84700 -0.76900 -0.80800 1.000 H43 H -6.34600 -2.38600 2.85600 1.000 H44 H -6.28600 -4.07900 2.31000 1.000 H45 H -4.90100 -3.37300 3.17800 1.000 H46 H -4.45100 -3.50800 0.74300 1.000 H47 H -6.86500 -1.65300 0.52400 1.000 H48 H -5.78900 -2.11800 -0.81500 1.000 H49 H -6.80400 -3.34600 -0.02200 1.000 H50 H -3.53200 -1.62400 2.12900 1.000 H51 H -4.93700 -0.63800 1.65700 1.000 H52 H -2.28900 -2.72100 0.11700 1.000 H53 H -2.17400 -1.67300 -1.31700 1.000 H54 H -1.25900 0.15000 0.15000 1.000 H55 H -1.23800 -1.92800 2.17700 1.000 H56 H 0.21800 -1.44600 -1.10900 1.000 H57 H 0.36400 -2.88900 1.57500 1.000 H58 H -0.52400 -3.48800 0.15300 1.000 H59 H 2.79000 -2.82600 1.58900 1.000 H60 H 4.87300 -3.78300 0.69100 1.000 H61 H 4.85100 -4.98100 -1.46100 1.000 H62 H 2.74500 -5.21600 -2.71600 1.000 H63 H 0.66300 -4.25500 -1.82100 1.000 H64 H 1.09800 -0.10900 1.33400 1.000 H65 H 4.93000 0.92900 -2.34200 1.000 H66 H 3.74400 1.83800 -1.36500 1.000 H67 H 7.11500 2.08200 2.82600 1.000 H68 H 6.11100 3.40500 2.17400 1.000 H69 H 5.15500 0.83600 2.68500 1.000 H70 H 4.43100 1.94400 1.47300 1.000 H71 H -5.32000 1.94500 0.92100 1.000 H72 H -4.52300 4.17800 1.58300 1.000 H73 H -1.78600 5.99200 -1.45400 1.000 H74 H -0.37100 5.95800 -0.35300 1.000 H75 H -2.01700 1.54100 -1.74500 1.000