# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CEP' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy S0 S -4.47200 -0.95500 2.24300 1.000 C1 C -4.28000 0.80900 1.85800 1.000 C2 C -2.88100 1.20700 1.42400 1.000 C3 C -2.60800 2.67600 1.63800 1.000 C4 C -2.00800 2.90400 3.00000 1.000 O5 O -1.75000 2.04700 3.83400 1.000 O6 O -1.81700 4.25000 3.15300 1.000 C7 C -1.26600 4.65500 4.41000 1.000 C8 C -2.01800 0.31600 0.88500 1.000 C9 C -0.64400 0.71600 0.52900 1.000 O10 O -0.01700 1.58100 1.10200 1.000 O11 O -0.22200 -0.02500 -0.51300 1.000 N12 N -2.30600 -1.01000 0.63500 1.000 C13 C -3.60800 -1.62700 0.78800 1.000 C14 C -3.44900 -3.13300 0.94800 1.000 C15 C -2.77300 -3.75300 -0.25000 1.000 O16 O -3.24800 -3.73200 -1.38300 1.000 N17 N -2.65500 -3.45200 2.10100 1.000 C18 C -3.12500 -4.24100 3.14800 1.000 O19 O -4.24700 -4.74000 3.19900 1.000 C20 C -2.07900 -4.42100 4.23100 1.000 C21 C -2.16900 -3.39100 5.32600 1.000 C22 C -3.23500 -3.12600 6.13000 1.000 C23 C -2.93800 -2.07800 7.04800 1.000 C24 C -1.65500 -1.60000 6.89100 1.000 S25 S -0.81500 -2.41500 5.64100 1.000 H26 H -4.54800 1.35200 2.77100 1.000 H27 H -5.00200 1.09100 1.08400 1.000 H28 H -3.55000 3.21500 1.56500 1.000 H29 H -1.91800 3.00500 0.86600 1.000 H30 H -0.58600 3.88300 4.77700 1.000 H31 H -2.07400 4.81500 5.12900 1.000 H32 H -0.71400 5.58800 4.27200 1.000 H33 H 0.69100 0.21400 -0.77900 1.000 H34 H -4.21700 -1.42800 -0.10000 1.000 H35 H -4.41900 -3.61600 1.08300 1.000 H36 H -1.75800 -4.15700 -0.08800 1.000 H37 H -1.70500 -3.08500 2.15600 1.000 H38 H -1.08400 -4.38300 3.77100 1.000 H39 H -2.18700 -5.42700 4.65800 1.000 H40 H -4.18500 -3.64200 6.07900 1.000 H41 H -3.63000 -1.69400 7.78700 1.000 H42 H -1.17100 -0.81300 7.45200 1.000 H43 H -1.57700 -1.55000 0.17800 1.000