# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CE3' 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 0.44200 -1.44500 -1.57900 1.000 C1 C -0.84200 -1.94300 -0.92400 1.000 S2 S 0.62300 0.36800 -1.66400 1.000 C3 C 2.42000 0.53800 -1.44000 1.000 C4 C 2.94400 -0.36300 -0.37000 1.000 C5 C 2.38500 -1.45200 0.13400 1.000 N6 N 1.11300 -1.85700 -0.30600 1.000 C7 C 0.03900 -2.50300 0.18000 1.000 O8 O -0.15000 -3.24000 1.12400 1.000 N9 N -1.73000 -0.86600 -0.47700 1.000 C10 C -3.05300 -1.09100 -0.35600 1.000 O11 O -3.49800 -2.20900 -0.52600 1.000 C12 C -3.96700 0.02500 -0.01600 1.000 N13 N -5.25500 -0.16900 -0.00000 1.000 O14 O -5.77800 -1.46900 -0.20200 1.000 C15 C -7.20500 -1.53500 -0.15900 1.000 C16 C -3.41600 1.35900 0.30600 1.000 N17 N -2.11600 1.63900 0.20500 1.000 C18 C -1.75000 2.84300 0.51400 1.000 N19 N -0.45000 3.31900 0.47200 1.000 S20 S -3.16000 3.78200 0.99600 1.000 C21 C -4.19200 2.38200 0.71600 1.000 C22 C 4.28200 0.01800 0.21100 1.000 O23 O 4.80800 1.17000 -0.49900 1.000 C24 C 6.04500 1.57500 -0.17100 1.000 O25 O 6.70200 0.93300 0.61300 1.000 C26 C 6.61300 2.83000 -0.78200 1.000 C27 C 3.09500 -2.24000 1.15800 1.000 O28 O 2.63500 -3.29900 1.53800 1.000 O29 O 4.25500 -1.78600 1.67300 1.000 H30 H 0.74200 -1.97200 -2.48500 1.000 H31 H -1.36000 -2.70900 -1.50100 1.000 H32 H 2.91800 0.29700 -2.38000 1.000 H33 H 2.64800 1.57100 -1.17600 1.000 H34 H -1.36600 0.00800 -0.26900 1.000 H35 H -7.62100 -0.89600 -0.93800 1.000 H36 H -7.52600 -2.56300 -0.32200 1.000 H37 H -7.55500 -1.19500 0.81600 1.000 H38 H 0.27200 2.73400 0.19400 1.000 H39 H -0.26100 4.23700 0.72100 1.000 H40 H -5.26300 2.34800 0.85200 1.000 H41 H 4.16300 0.26300 1.26600 1.000 H42 H 4.97300 -0.81900 0.10800 1.000 H43 H 5.85000 3.31600 -1.39000 1.000 H44 H 6.93300 3.50700 0.01000 1.000 H45 H 7.46800 2.57400 -1.40800 1.000 H46 H 4.72200 -2.37000 2.28600 1.000