# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9KY' 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 -1.46400 -2.99400 0.99800 1.000 C1 C 0.30000 0.78500 0.26100 1.000 C2 C -0.78300 0.17200 -0.58900 1.000 C3 C -2.62500 -1.15200 0.55300 1.000 C4 C -2.69100 -2.43300 1.13000 1.000 C5 C 1.41300 -1.65700 -0.89900 1.000 C6 C 2.77200 -3.68100 0.42500 1.000 C7 C 3.41600 -2.91900 -0.53400 1.000 C8 C 4.86200 -3.18900 -0.86000 1.000 C9 C -1.29500 2.48400 -1.38600 1.000 C10 C 1.38300 3.55200 1.41700 1.000 C11 C -4.92600 -0.79600 1.10500 1.000 C12 C -4.03200 1.65800 -2.02500 1.000 C13 C -0.66100 -2.15800 0.38700 1.000 N14 N -1.33300 -1.00300 0.09100 1.000 O15 O 0.48200 0.38500 1.39200 1.000 N16 N 1.06700 1.77600 -0.23500 1.000 C17 C 2.05800 2.43300 0.62100 1.000 C18 C 2.41800 4.23900 2.31000 1.000 C19 C 3.53000 4.83000 1.44100 1.000 C20 C 4.20500 3.71100 0.64600 1.000 C21 C 3.17000 3.02400 -0.24800 1.000 C22 C -1.89500 1.19800 -0.81400 1.000 C23 C -2.40800 3.51000 -1.61100 1.000 C24 C -3.43200 2.94400 -2.59600 1.000 C25 C -2.92000 0.63200 -1.80000 1.000 C26 C -3.89400 -2.87300 1.69100 1.000 C27 C -4.99100 -2.06000 1.67400 1.000 C28 C -3.75100 -0.34000 0.54700 1.000 C29 C 0.75800 -2.42300 0.06700 1.000 C30 C 1.44800 -3.43900 0.72900 1.000 C31 C 2.73700 -1.91000 -1.19400 1.000 O32 O 4.94000 -4.15000 -1.91500 1.000 H33 H -0.36500 -0.12700 -1.55000 1.000 H34 H 0.88300 -0.87200 -1.41800 1.000 H35 H 3.30700 -4.46800 0.93600 1.000 H36 H 5.34200 -2.26300 -1.17600 1.000 H37 H 5.36800 -3.57700 0.02300 1.000 H38 H -0.56600 2.88800 -0.68300 1.000 H39 H -0.80500 2.26600 -2.33400 1.000 H40 H 0.95600 4.28100 0.72800 1.000 H41 H 0.59100 3.13100 2.03600 1.000 H42 H -5.80300 -0.16500 1.10000 1.000 H43 H -4.52300 1.87600 -1.07600 1.000 H44 H -4.76200 1.25400 -2.72700 1.000 H45 H 0.96300 2.05400 -1.15800 1.000 H46 H 2.48400 1.70400 1.31000 1.000 H47 H 1.93700 5.03600 2.87700 1.000 H48 H 2.84400 3.50900 2.99900 1.000 H49 H 3.10300 5.55900 0.75300 1.000 H50 H 4.26700 5.31900 2.07800 1.000 H51 H 4.99700 4.13200 0.02700 1.000 H52 H 4.63100 2.98200 1.33500 1.000 H53 H 3.65100 2.22700 -0.81400 1.000 H54 H 2.74400 3.75400 -0.93700 1.000 H55 H -2.38600 1.41600 0.13400 1.000 H56 H -2.89800 3.72800 -0.66200 1.000 H57 H -1.98000 4.42700 -2.01800 1.000 H58 H -2.94100 2.72600 -3.54500 1.000 H59 H -4.22500 3.67500 -2.75700 1.000 H60 H -3.34700 -0.28400 -1.39300 1.000 H61 H -2.42900 0.41400 -2.74900 1.000 H62 H -3.95500 -3.85500 2.13700 1.000 H63 H -5.91800 -2.40400 2.10900 1.000 H64 H -3.70700 0.64500 0.10500 1.000 H65 H 0.94700 -4.03500 1.47700 1.000 H66 H 3.24500 -1.31800 -1.94100 1.000 H67 H 5.84400 -4.37200 -2.17800 1.000