# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CIE' 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 -0.46400 0.69500 2.95800 1.000 C1 C -1.28100 -0.32800 2.47500 1.000 C2 C -2.64000 -0.12300 2.35500 1.000 C3 C -3.19200 1.09600 2.70000 1.000 C4 C -2.38700 2.11800 3.17400 1.000 C5 C -1.02800 1.92400 3.30500 1.000 C6 C 0.99000 0.48100 3.09500 1.000 O7 O 1.49400 -0.54600 2.68800 1.000 O8 O 1.75900 1.42500 3.67200 1.000 C9 C 3.20200 1.26600 3.70600 1.000 C10 C 3.82100 2.40700 4.51600 1.000 S11 S -0.58000 -1.88400 2.03400 1.000 O12 O 0.17400 -2.30100 3.16400 1.000 O13 O -1.63100 -2.62300 1.42800 1.000 N14 N 0.52500 -1.60600 0.83300 1.000 C15 C 0.11700 -1.13200 -0.36000 1.000 O16 O -1.04400 -0.81700 -0.52500 1.000 N17 N 0.99900 -1.00800 -1.37200 1.000 N18 N 1.45300 -0.38700 -3.58200 1.000 C19 C 0.61200 -0.39900 -2.55900 1.000 N20 N -0.58500 0.15800 -2.63800 1.000 C21 C -0.98900 0.74800 -3.75400 1.000 Cl22 Cl -2.56200 1.47600 -3.84300 1.000 C23 C -0.14100 0.77700 -4.84800 1.000 C24 C 1.11200 0.18100 -4.73300 1.000 O25 O 1.97400 0.18600 -5.77800 1.000 C26 C 3.15400 -0.49400 -5.34400 1.000 H27 H -3.27400 -0.91600 1.98500 1.000 H28 H -4.25600 1.25300 2.59900 1.000 H29 H -2.82500 3.06800 3.44300 1.000 H30 H -0.40100 2.72200 3.67600 1.000 H31 H 3.59400 1.28700 2.68900 1.000 H32 H 3.45100 0.31300 4.17200 1.000 H33 H 4.89400 2.24000 4.61600 1.000 H34 H 3.64700 3.35300 4.00300 1.000 H35 H 3.36500 2.44000 5.50500 1.000 H36 H 1.46500 -1.78400 0.98900 1.000 H37 H 1.90300 -1.34400 -1.27200 1.000 H38 H -0.44400 1.25100 -5.77000 1.000 H39 H 3.88000 -0.51500 -6.15600 1.000 H40 H 3.58000 0.02800 -4.48800 1.000 H41 H 2.89900 -1.51400 -5.05800 1.000