# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9JF' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy N0 N 2.24900 1.67600 -0.08100 1.000 C1 C 3.65400 -1.09200 1.05200 1.000 O2 O 4.24100 -0.03000 1.66400 1.000 C3 C -5.86900 -1.63200 -0.44400 1.000 C4 C -5.05600 -2.74100 -0.59600 1.000 C5 C -3.68600 -2.63500 -0.42800 1.000 C6 C -3.12200 -1.40600 -0.10400 1.000 C7 C -3.94900 -0.27800 0.05200 1.000 C8 C -5.32400 -0.40200 -0.12100 1.000 C9 C -1.66100 -1.27200 0.07800 1.000 C10 C -1.06000 0.07700 0.11700 1.000 C11 C -1.89200 1.20700 0.27600 1.000 C12 C -3.34800 1.02900 0.39800 1.000 C13 C 0.31400 0.24000 -0.00100 1.000 C14 C 0.86900 1.51700 0.03800 1.000 C15 C 0.05400 2.63400 0.19400 1.000 C16 C -1.32700 2.48400 0.31500 1.000 O17 O -4.04900 1.94700 0.77800 1.000 O18 O -0.96200 -2.26000 0.19400 1.000 O19 O -2.11900 3.57500 0.46700 1.000 O20 O 0.60700 3.87500 0.23100 1.000 S21 S 3.12800 0.62400 -1.01100 1.000 O22 O 2.41000 0.46900 -2.22700 1.000 O23 O 4.47600 1.06900 -0.95500 1.000 C24 C 3.08700 -0.94200 -0.20600 1.000 C25 C 2.49100 -2.02300 -0.82600 1.000 C26 C 2.45900 -3.25300 -0.19500 1.000 C27 C 3.02300 -3.40400 1.05800 1.000 C28 C 3.62500 -2.32800 1.68100 1.000 H29 H 2.69400 2.40600 0.37800 1.000 H30 H 3.65900 0.44400 2.27400 1.000 H31 H -6.93600 -1.72700 -0.58300 1.000 H32 H -5.49300 -3.69600 -0.84800 1.000 H33 H -3.05700 -3.50500 -0.54800 1.000 H34 H -5.96400 0.46000 -0.00400 1.000 H35 H 0.95200 -0.62300 -0.12200 1.000 H36 H -2.26700 3.82800 1.38900 1.000 H37 H 0.68400 4.29700 -0.63600 1.000 H38 H 2.04900 -1.90700 -1.80500 1.000 H39 H 1.99200 -4.09600 -0.68100 1.000 H40 H 3.00000 -4.36700 1.54800 1.000 H41 H 4.06600 -2.44700 2.65900 1.000