# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9WT' 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 0.30400 0.74200 -1.38800 1.000 S1 S -4.01200 3.53600 1.10400 1.000 O2 O -0.19000 -3.17000 0.95700 1.000 O3 O 4.08800 -1.30900 1.88000 1.000 O4 O 2.39500 -2.74400 1.91900 1.000 O5 O -3.58600 -2.31500 -0.87800 1.000 O6 O -5.94000 -1.90500 -0.50400 1.000 N7 N 5.03700 0.32900 -0.03700 1.000 N8 N 0.98800 -1.50200 -0.14800 1.000 N9 N -1.97900 -0.84000 -0.46600 1.000 N10 N -5.57300 -0.61600 -0.04600 1.000 N11 N -2.73200 1.63300 0.08000 1.000 N12 N -1.32700 3.54000 0.31500 1.000 C13 C 6.25200 0.71700 0.71100 1.000 C14 C 5.04100 1.03000 -1.33400 1.000 C15 C 3.84300 0.71100 0.72800 1.000 C16 C 7.26200 1.16000 -0.37700 1.000 C17 C 6.33300 1.87100 -1.39600 1.000 C18 C 5.03800 -1.12200 -0.26300 1.000 C19 C 2.61100 0.20600 0.02100 1.000 C20 C 0.32900 -1.08200 -1.41400 1.000 C21 C -0.94800 -1.76000 -0.95200 1.000 C22 C 2.15800 -0.97600 0.41700 1.000 C23 C 2.05300 1.09900 -1.03800 1.000 C24 C -0.03700 -2.30100 0.12500 1.000 C25 C 2.88300 -1.73500 1.45200 1.000 C26 C -3.27700 -1.20200 -0.50400 1.000 C27 C -4.32600 -0.24100 -0.09000 1.000 C28 C -3.95800 1.14500 0.27400 1.000 C29 C -4.83700 2.00400 0.82600 1.000 C30 C -2.52800 2.86200 0.43800 1.000 C31 C -7.33800 -2.18300 -0.39700 1.000 H32 H 4.52500 -1.84000 2.56000 1.000 H33 H -1.72700 0.02900 -0.11600 1.000 H34 H -1.25800 4.46200 0.60900 1.000 H35 H -0.55400 3.09300 -0.06400 1.000 H36 H 6.03400 1.54400 1.38600 1.000 H37 H 6.64200 -0.13400 1.26900 1.000 H38 H 5.03100 0.30500 -2.14800 1.000 H39 H 4.16900 1.68000 -1.40700 1.000 H40 H 3.89500 0.27300 1.72500 1.000 H41 H 3.79500 1.79700 0.80900 1.000 H42 H 7.99700 1.85300 0.03200 1.000 H43 H 7.75100 0.29800 -0.83000 1.000 H44 H 6.76500 1.84200 -2.39700 1.000 H45 H 6.13900 2.89900 -1.08800 1.000 H46 H 5.46700 -1.62500 0.60400 1.000 H47 H 4.01500 -1.46700 -0.41400 1.000 H48 H 5.63300 -1.35200 -1.14800 1.000 H49 H 0.77200 -1.49900 -2.31900 1.000 H50 H -1.33000 -2.51500 -1.64000 1.000 H51 H 2.63100 0.96600 -1.95300 1.000 H52 H 2.14500 2.13500 -0.71200 1.000 H53 H -5.87000 1.79100 1.05700 1.000 H54 H -7.53800 -3.18800 -0.76800 1.000 H55 H -7.64400 -2.11300 0.64700 1.000 H56 H -7.89800 -1.45900 -0.98900 1.000