# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '04T' 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 2.88100 -0.78900 1.40000 1.000 C1 C 1.64000 -0.44700 1.89900 1.000 C2 C 0.84500 0.46400 1.21400 1.000 C3 C 1.30200 1.02800 0.03000 1.000 C4 C 2.54500 0.68200 -0.46300 1.000 C5 C 3.33300 -0.22500 0.22100 1.000 S6 S 4.91800 -0.66400 -0.41200 1.000 O7 O 5.31000 0.46100 -1.18700 1.000 O8 O 5.65800 -1.05700 0.73600 1.000 C9 C 4.59800 -2.09300 -1.48300 1.000 N10 N 0.45800 1.99900 -0.70300 1.000 O11 O 0.82100 2.42700 -1.78400 1.000 O12 O -0.59900 2.36900 -0.22500 1.000 N13 N -0.41200 0.81200 1.71600 1.000 C14 C -1.56700 0.25900 1.15200 1.000 C15 C -2.81900 0.69400 1.56700 1.000 C16 C -3.95900 0.14900 1.01100 1.000 C17 C -3.85400 -0.83600 0.03800 1.000 C18 C -2.60300 -1.27200 -0.37700 1.000 C19 C -1.46200 -0.72200 0.17400 1.000 N20 N -5.01100 -1.39000 -0.52600 1.000 C21 C -6.11300 -0.63100 -0.68500 1.000 C22 C -7.38900 -1.25100 -1.19300 1.000 O23 O -6.07800 0.55200 -0.41900 1.000 H24 H 3.50200 -1.49300 1.93400 1.000 H25 H 1.28700 -0.88800 2.81900 1.000 H26 H 2.90100 1.12000 -1.38400 1.000 H27 H 3.90900 -1.80600 -2.27600 1.000 H28 H 5.53500 -2.43500 -1.92200 1.000 H29 H 4.15900 -2.89800 -0.89300 1.000 H30 H -0.48400 1.43600 2.45400 1.000 H31 H -2.90100 1.46000 2.32500 1.000 H32 H -4.93300 0.48700 1.33400 1.000 H33 H -2.52100 -2.03800 -1.13400 1.000 H34 H -0.48900 -1.05700 -0.15200 1.000 H35 H -5.01900 -2.32000 -0.80200 1.000 H36 H -7.22800 -2.31400 -1.37600 1.000 H37 H -8.17600 -1.12500 -0.44900 1.000 H38 H -7.68600 -0.76400 -2.12200 1.000