# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9YS' 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 -3.25900 1.13800 1.30400 1.000 C1 C -4.52500 2.65400 -1.33100 1.000 C2 C -4.67000 1.42500 -0.71500 1.000 C3 C -3.26000 1.17000 2.83400 1.000 C4 C -4.51000 2.73800 -2.71100 1.000 C5 C -4.63200 1.59200 -3.47400 1.000 C6 C -4.77100 0.36200 -2.85800 1.000 C7 C -4.79800 0.28000 -1.47900 1.000 C8 C 3.13400 1.29500 0.71000 1.000 C9 C 3.53800 0.42800 -0.28900 1.000 C10 C -2.14500 -5.13600 -0.25400 1.000 C11 C 5.41600 1.78600 1.24100 1.000 C12 C -0.86000 -1.62400 0.38800 1.000 C13 C 0.52200 -1.77600 0.27000 1.000 N14 N 1.32900 -0.75400 0.46000 1.000 C15 C 0.87400 0.45500 0.76800 1.000 C16 C -0.48700 0.69400 0.90600 1.000 C17 C -1.38100 -0.35300 0.71500 1.000 N18 N -2.74600 -0.15500 0.84300 1.000 N19 N 1.77200 1.49400 0.95700 1.000 C20 C -1.76000 -2.76800 0.16900 1.000 N21 N -1.24900 -3.99800 -0.03600 1.000 O22 O -2.96500 -2.60300 0.17300 1.000 C23 C -4.68600 1.33300 0.78900 1.000 O24 O -4.18300 0.19800 3.33000 1.000 C25 C 4.89600 0.23200 -0.53300 1.000 C26 C 5.85600 0.90700 0.22700 1.000 C27 C 4.08800 1.96600 1.47400 1.000 S28 S 5.73100 -0.78200 -1.70700 1.000 C29 C 7.28500 -0.22900 -1.09500 1.000 N30 N 7.11700 0.60700 -0.14100 1.000 H31 H -2.62300 1.93700 0.92400 1.000 H32 H -4.43000 3.54900 -0.73500 1.000 H33 H -2.26000 0.94200 3.20200 1.000 H34 H -3.55700 2.16100 3.17600 1.000 H35 H -4.40200 3.69800 -3.19200 1.000 H36 H -4.62000 1.65700 -4.55200 1.000 H37 H -4.86700 -0.53300 -3.45500 1.000 H38 H -4.91000 -0.68100 -0.99700 1.000 H39 H 2.80200 -0.09700 -0.87900 1.000 H40 H -1.55400 -6.04100 -0.40000 1.000 H41 H -2.79100 -5.26100 0.61500 1.000 H42 H -2.75500 -4.95400 -1.13800 1.000 H43 H 6.14100 2.31700 1.84000 1.000 H44 H 0.93400 -2.74300 0.02000 1.000 H45 H -0.84600 1.68100 1.15700 1.000 H46 H -3.36300 -0.87200 0.62700 1.000 H47 H 1.45500 2.35900 1.26100 1.000 H48 H -0.28800 -4.12900 -0.03900 1.000 H49 H -5.30200 0.48700 1.09500 1.000 H50 H -5.10000 2.25200 1.20400 1.000 H51 H -4.23600 0.16200 4.29500 1.000 H52 H 3.76900 2.64200 2.25300 1.000 H53 H 8.24400 -0.54900 -1.47400 1.000