# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9A3' 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 1.99400 -3.08900 0.31100 1.000 C1 C 1.34500 -0.71800 0.19600 1.000 C2 C -4.61900 1.82600 -0.11200 1.000 C3 C 0.40600 0.41600 0.19700 1.000 C4 C 0.83400 -2.12800 0.34300 1.000 C5 C 2.63100 -3.44400 1.48500 1.000 C6 C -0.06100 2.61000 0.07900 1.000 C7 C -1.34500 1.82500 0.24900 1.000 C8 C -2.27000 2.04400 -0.95000 1.000 C9 C -3.53900 1.25300 -0.75700 1.000 C10 C -3.62100 -0.04600 -1.22400 1.000 C11 C -4.78500 -0.77100 -1.04700 1.000 C12 C -5.86500 -0.19800 -0.40300 1.000 C13 C -7.13400 -0.98800 -0.21000 1.000 C14 C -5.78000 1.09900 0.07000 1.000 C15 C 3.69500 -4.32500 1.45500 1.000 C16 C 4.12300 -4.85100 0.25100 1.000 C17 C 3.48600 -4.49700 -0.92400 1.000 C18 C 2.41800 -3.62000 -0.89300 1.000 C19 C 3.10200 0.75500 -0.07000 1.000 C20 C 2.28400 1.83800 -0.07200 1.000 C21 C 4.56400 0.95400 -0.21900 1.000 C22 C 5.42200 -0.14400 -0.22000 1.000 C23 C 6.78100 0.04400 -0.35900 1.000 C24 C 7.29500 1.32700 -0.49800 1.000 C25 C 6.44300 2.42300 -0.49700 1.000 C26 C 5.08200 2.24000 -0.36400 1.000 F27 F -7.07300 -1.67800 1.00600 1.000 F28 F -8.22900 -0.11800 -0.19800 1.000 F29 F -7.27700 -1.90300 -1.25800 1.000 N30 N 0.92400 1.68700 0.05900 1.000 N31 N -0.90000 0.42600 0.31100 1.000 N32 N 2.62300 -0.49200 0.06200 1.000 O33 O 0.05600 3.81200 -0.01900 1.000 O34 O -2.00300 2.19500 1.46200 1.000 O35 O -1.15800 2.08200 2.65800 1.000 O36 O 8.63400 1.50900 -0.63400 1.000 H37 H -4.55400 2.84000 0.25300 1.000 H38 H 0.15100 -2.35400 -0.47600 1.000 H39 H 0.30700 -2.22600 1.29200 1.000 H40 H 2.29700 -3.03200 2.42600 1.000 H41 H -2.51200 3.10300 -1.03300 1.000 H42 H -1.77000 1.71200 -1.86000 1.000 H43 H -2.77700 -0.49300 -1.72700 1.000 H44 H -4.85100 -1.78400 -1.41600 1.000 H45 H -6.62400 1.54600 0.57300 1.000 H46 H 4.19300 -4.60200 2.37300 1.000 H47 H 4.95500 -5.53900 0.22800 1.000 H48 H 3.82100 -4.90800 -1.86500 1.000 H49 H 1.92000 -3.34300 -1.81100 1.000 H50 H 2.70500 2.82600 -0.18000 1.000 H51 H 5.02300 -1.14200 -0.11200 1.000 H52 H 7.44600 -0.80600 -0.36000 1.000 H53 H 6.84500 3.41900 -0.60900 1.000 H54 H 4.42000 3.09300 -0.36300 1.000 H55 H -1.60200 2.33300 3.47900 1.000 H56 H 8.94100 1.50000 -1.55100 1.000