# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9YK' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy O0 O -7.00100 0.62500 -0.50100 1.000 C1 C -5.87600 1.13500 0.06800 1.000 C2 C -4.79200 0.30400 0.33700 1.000 O3 O -4.85600 -1.01900 0.03200 1.000 C4 C -5.80400 2.48400 0.37500 1.000 C5 C -4.65900 3.00100 0.95300 1.000 C6 C -3.58500 2.17500 1.22500 1.000 C7 C -3.64900 0.82900 0.91700 1.000 C8 C -2.47600 -0.06900 1.21500 1.000 N9 N -1.60100 -0.14000 0.03700 1.000 C10 C -2.20400 -0.96800 -1.01600 1.000 C11 C -2.36400 -2.38000 -0.51600 1.000 O12 O -2.81400 -3.33800 -1.34200 1.000 O13 O -2.08800 -2.65100 0.62900 1.000 C14 C -0.26800 -0.64000 0.40100 1.000 C15 C 0.71800 -0.33000 -0.72700 1.000 N16 N 2.03200 -0.89900 -0.40000 1.000 C17 C 1.97800 -2.36700 -0.37700 1.000 C18 C 3.20100 -2.90300 0.32200 1.000 O19 O 3.42300 -4.22600 0.36500 1.000 O20 O 3.98100 -2.14200 0.84400 1.000 C21 C 3.05900 -0.42500 -1.33600 1.000 C22 C 3.21900 1.06700 -1.19300 1.000 C23 C 2.63900 1.91600 -2.11500 1.000 C24 C 2.78400 3.28500 -1.98500 1.000 C25 C 3.51100 3.80900 -0.93100 1.000 C26 C 4.09500 2.96600 -0.00600 1.000 C27 C 3.94500 1.59000 -0.13000 1.000 S28 S 4.68100 0.51100 1.05200 1.000 C29 C 5.49200 1.65700 2.20100 1.000 H30 H -7.65500 0.30900 0.13700 1.000 H31 H -4.64000 -1.22200 -0.88900 1.000 H32 H -6.64100 3.13200 0.16200 1.000 H33 H -4.60400 4.05300 1.19200 1.000 H34 H -2.69300 2.58300 1.67700 1.000 H35 H -1.91600 0.33300 2.06000 1.000 H36 H -2.83600 -1.06800 1.46200 1.000 H37 H -3.18100 -0.56300 -1.28200 1.000 H38 H -1.55800 -0.96400 -1.89500 1.000 H39 H -2.90000 -4.22800 -0.97600 1.000 H40 H 0.06400 -0.15400 1.31800 1.000 H41 H -0.31400 -1.71800 0.55700 1.000 H42 H 0.35400 -0.76600 -1.65800 1.000 H43 H 0.80900 0.75000 -0.84400 1.000 H44 H 1.08400 -2.69000 0.15700 1.000 H45 H 1.94800 -2.74600 -1.39800 1.000 H46 H 4.22100 -4.52300 0.82400 1.000 H47 H 4.00700 -0.91400 -1.11400 1.000 H48 H 2.75800 -0.66200 -2.35700 1.000 H49 H 2.07100 1.51000 -2.94000 1.000 H50 H 2.33000 3.94600 -2.70700 1.000 H51 H 3.62300 4.87900 -0.83200 1.000 H52 H 4.66200 3.37600 0.81700 1.000 H53 H 6.22800 2.25300 1.66200 1.000 H54 H 4.74500 2.31700 2.64400 1.000 H55 H 5.98900 1.09100 2.98900 1.000