# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9YH' 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 7.87400 1.21700 0.60500 1.000 O1 O 6.76700 0.34100 0.38100 1.000 C2 C 5.65300 0.88500 -0.17800 1.000 C3 C 4.53800 0.09000 -0.42500 1.000 O4 O 4.56000 -1.23200 -0.10700 1.000 C5 C 5.62400 2.23200 -0.49800 1.000 C6 C 4.49000 2.78400 -1.06600 1.000 C7 C 3.38500 1.99300 -1.31600 1.000 C8 C 3.40500 0.64800 -0.99500 1.000 C9 C 2.19800 -0.21100 -1.26900 1.000 N10 N 1.33700 -0.24000 -0.07900 1.000 C11 C 1.92500 -1.07800 0.97500 1.000 C12 C 2.03000 -2.50000 0.48700 1.000 O13 O 2.45700 -3.46500 1.31700 1.000 O14 O 1.72900 -2.77200 -0.65100 1.000 C15 C -0.01700 -0.69600 -0.42000 1.000 C16 C -0.97600 -0.34100 0.71800 1.000 N17 N -2.31300 -0.86700 0.41400 1.000 C18 C -2.31100 -2.33600 0.40400 1.000 C19 C -3.56100 -2.83600 -0.27300 1.000 O20 O -3.83000 -4.15100 -0.29900 1.000 O21 O -4.32100 -2.05400 -0.79200 1.000 C22 C -3.31100 -0.34800 1.35900 1.000 C23 C -3.42100 1.14700 1.20300 1.000 C24 C -2.79900 1.98400 2.10800 1.000 C25 C -2.89900 3.35500 1.96600 1.000 C26 C -3.62100 3.89400 0.91600 1.000 C27 C -4.24600 3.06400 0.00700 1.000 C28 C -4.14200 1.68400 0.14400 1.000 S29 S -4.93200 0.62100 -1.01800 1.000 C30 C -5.71700 1.78300 -2.16800 1.000 H31 H 8.20000 1.64100 -0.34400 1.000 H32 H 7.57100 2.02000 1.27700 1.000 H33 H 8.69500 0.65800 1.05400 1.000 H34 H 4.34900 -1.41800 0.81800 1.000 H35 H 6.48600 2.85200 -0.30300 1.000 H36 H 4.46900 3.83400 -1.31500 1.000 H37 H 2.50100 2.42700 -1.76000 1.000 H38 H 1.64100 0.20300 -2.11000 1.000 H39 H 2.52000 -1.22400 -1.51000 1.000 H40 H 2.91900 -0.70500 1.22400 1.000 H41 H 1.29200 -1.04400 1.86200 1.000 H42 H 2.50700 -4.36100 0.95900 1.000 H43 H -0.34500 -0.20800 -1.33700 1.000 H44 H -0.01100 -1.77600 -0.56600 1.000 H45 H -0.61600 -0.78100 1.64800 1.000 H46 H -1.02800 0.74300 0.82500 1.000 H47 H -1.43600 -2.69500 -0.13800 1.000 H48 H -2.28100 -2.70600 1.42900 1.000 H49 H -4.64400 -4.42400 -0.74500 1.000 H50 H -4.27900 -0.80700 1.15400 1.000 H51 H -3.00500 -0.58600 2.37700 1.000 H52 H -2.23500 1.56600 2.92900 1.000 H53 H -2.41100 4.00800 2.67500 1.000 H54 H -3.69700 4.96600 0.80800 1.000 H55 H -4.81000 3.48600 -0.81100 1.000 H56 H -6.42500 2.40900 -1.62500 1.000 H57 H -4.95400 2.41200 -2.62600 1.000 H58 H -6.24400 1.22700 -2.94300 1.000