# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'C1X' 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 -8.00500 0.04900 -2.13900 1.000 C1 C -7.18100 -0.11800 -3.03000 1.000 O2 O -7.49800 -0.11200 -4.34800 1.000 C3 C -5.70700 -0.32000 -2.78200 1.000 C4 C -5.38900 -0.42300 -1.29900 1.000 C5 C -3.89500 -0.63100 -1.03400 1.000 C6 C -3.64200 -0.71100 0.47900 1.000 C7 C -1.07900 0.17000 -0.04300 1.000 C8 C -3.03200 0.43200 -1.75100 1.000 C9 C -3.37100 1.88300 -1.41200 1.000 C10 C -2.55000 2.84900 -2.22100 1.000 O11 O -1.46100 3.31100 -1.91600 1.000 O12 O -3.20200 3.15000 -3.37400 1.000 C13 C -1.56300 0.16800 -1.46900 1.000 N14 N -0.75400 -0.04500 -2.45600 1.000 C15 C -1.38500 -0.01300 -3.77700 1.000 C16 C -0.35300 -0.33000 -4.85300 1.000 C17 C 0.78900 0.69200 -4.88900 1.000 C18 C 1.81500 0.33400 -5.97400 1.000 C19 C 3.02600 1.27600 -6.04200 1.000 N20 N 3.76000 1.29600 -4.77800 1.000 C21 C 2.62700 2.69800 -6.38100 1.000 O22 O 2.81500 3.68800 -5.68900 1.000 S23 S -1.91600 -1.15200 0.86100 1.000 O24 O 2.02600 2.74500 -7.60000 1.000 H25 H -8.44600 0.03600 -4.55300 1.000 H26 H -5.12100 0.46700 -3.26900 1.000 H27 H -5.42600 -1.25500 -3.28200 1.000 H28 H -5.93000 -1.27200 -0.87300 1.000 H29 H -5.71600 0.47500 -0.76900 1.000 H30 H -3.64100 -1.61000 -1.46600 1.000 H31 H -3.88100 0.23800 0.97000 1.000 H32 H -4.28300 -1.47800 0.92500 1.000 H33 H 0.00100 0.00000 -0.01300 1.000 H34 H -1.29100 1.13700 0.42100 1.000 H35 H -3.18900 0.31600 -2.83200 1.000 H36 H -4.42900 2.05700 -1.62000 1.000 H37 H -3.17400 2.05300 -0.35200 1.000 H38 H -2.69300 3.78000 -3.92800 1.000 H39 H -1.83800 0.97000 -3.94400 1.000 H40 H -2.18600 -0.76000 -3.80100 1.000 H41 H -0.85600 -0.34100 -5.82700 1.000 H42 H 0.05700 -1.33400 -4.68900 1.000 H43 H 1.27900 0.72800 -3.91000 1.000 H44 H 0.37400 1.68800 -5.08200 1.000 H45 H 1.31000 0.32600 -6.94900 1.000 H46 H 2.17000 -0.69100 -5.80400 1.000 H47 H 3.71300 0.93000 -6.82300 1.000 H48 H 4.58300 1.85600 -4.72400 1.000 H49 H 3.53600 0.60600 -4.09500 1.000 H50 H 1.77000 3.65900 -7.84600 1.000