# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CGT' 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 1.64200 -0.09700 -0.65600 1.000 S1 S 0.49800 0.02000 -2.05400 1.000 C2 C 1.78300 -1.56000 -0.23300 1.000 O3 O 0.50500 -2.06900 0.15400 1.000 C4 C 2.75000 -1.65900 0.94800 1.000 O5 O 2.88200 -3.02600 1.34300 1.000 C6 C 4.11900 -1.11400 0.53400 1.000 O7 O 5.02200 -1.20600 1.63700 1.000 C8 C 3.97800 0.35000 0.11000 1.000 C9 C 3.01000 0.44800 -1.07100 1.000 C10 C 5.34600 0.89500 -0.30400 1.000 O11 O 5.23600 2.29100 -0.58800 1.000 C12 C -1.74400 -1.61200 -1.47000 1.000 C13 C -3.01000 -1.64500 -0.65300 1.000 C14 C -4.19000 -1.16200 -1.18700 1.000 C15 C -2.99300 -2.16200 0.62900 1.000 C16 C -5.35100 -1.19100 -0.43700 1.000 C17 C -4.15300 -2.18800 1.38000 1.000 C18 C -5.33300 -1.70400 0.84600 1.000 C19 C -1.02500 -0.31000 -1.23000 1.000 N20 N -1.52500 0.56600 -0.42100 1.000 O21 O -0.91100 1.83400 -0.28200 1.000 S22 S -1.80400 2.65700 0.63500 1.000 O23 O -3.13700 2.33900 0.26300 1.000 O24 O -1.24300 3.96300 0.64900 1.000 O25 O -1.62800 2.11600 2.04700 1.000 H26 H 1.25600 0.48700 0.17900 1.000 H27 H 2.16900 -2.14400 -1.06800 1.000 H28 H 0.63800 -2.99200 0.41300 1.000 H29 H 2.36500 -1.07500 1.78400 1.000 H30 H 2.00000 -3.33000 1.59600 1.000 H31 H 4.50500 -1.69800 -0.30200 1.000 H32 H 5.08200 -2.14200 1.87100 1.000 H33 H 3.59200 0.93400 0.94600 1.000 H34 H 2.91000 1.49100 -1.37200 1.000 H35 H 3.39600 -0.13600 -1.90600 1.000 H36 H 5.69200 0.36900 -1.19400 1.000 H37 H 6.05800 0.74400 0.50700 1.000 H38 H 6.11800 2.59400 -0.84400 1.000 H39 H -1.99200 -1.70200 -2.52700 1.000 H40 H -1.10100 -2.44200 -1.17600 1.000 H41 H -4.20500 -0.76100 -2.19000 1.000 H42 H -2.07100 -2.54000 1.04600 1.000 H43 H -6.27300 -0.81300 -0.85500 1.000 H44 H -4.13800 -2.58800 2.38300 1.000 H45 H -6.24000 -1.72600 1.43200 1.000 H46 H -2.19800 2.64500 2.62200 1.000