# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '0WO' 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 -0.91700 -2.97800 0.52900 1.000 N1 N 0.55900 -1.17100 -0.13800 1.000 O2 O -1.61200 -3.58100 1.50600 1.000 C3 C -0.67400 -1.49200 0.58500 1.000 C4 C -1.85000 -0.75800 -0.06300 1.000 C5 C 3.59100 -3.24800 -1.19600 1.000 C6 C -4.83000 1.27800 1.56300 1.000 C7 C -5.17800 0.34200 -0.74500 1.000 O8 O -2.52600 1.07100 -2.43100 1.000 O9 O 1.80000 -1.60300 1.65400 1.000 O10 O -4.05700 2.60600 -2.00200 1.000 C11 C 2.47700 4.08400 1.32600 1.000 C12 C 3.82200 3.77800 1.21600 1.000 C13 C 1.52000 3.18500 0.88900 1.000 C14 C 4.21500 2.57300 0.66900 1.000 C15 C 1.90200 1.98000 0.33600 1.000 N16 N 4.72500 0.13400 -1.10400 1.000 N17 N -1.68500 0.71900 0.04100 1.000 O18 O 4.79700 -1.02400 -1.43500 1.000 S19 S -3.39800 -1.00400 0.90200 1.000 C20 C -3.16700 1.68100 -1.60900 1.000 C21 C 1.75000 -1.25800 0.48800 1.000 C22 C 3.79600 -1.77300 -0.96800 1.000 C23 C 3.25600 1.66400 0.22700 1.000 C24 C 3.67200 0.36900 -0.36200 1.000 C25 C 2.99000 -0.93600 -0.23800 1.000 C26 C -2.96800 1.40300 -0.14100 1.000 C27 C -4.16400 0.58000 0.37600 1.000 O28 O -0.48100 -3.62700 -0.39200 1.000 H29 H 0.52000 -0.89600 -1.06700 1.000 H30 H -1.74200 -4.53600 1.42700 1.000 H31 H -0.57800 -1.17800 1.62400 1.000 H32 H -1.97900 -1.06700 -1.10000 1.000 H33 H 4.40000 -3.63500 -1.81600 1.000 H34 H 3.58800 -3.76700 -0.23800 1.000 H35 H 2.63800 -3.40900 -1.70000 1.000 H36 H -5.64600 0.66000 1.93700 1.000 H37 H -4.09500 1.42800 2.35500 1.000 H38 H -5.22200 2.24400 1.24400 1.000 H39 H -5.97500 -0.30700 -0.38200 1.000 H40 H -5.60200 1.29600 -1.06000 1.000 H41 H -4.68100 -0.13200 -1.59100 1.000 H42 H -4.14900 2.74900 -2.95400 1.000 H43 H 2.17300 5.02600 1.75800 1.000 H44 H 4.56500 4.48300 1.55800 1.000 H45 H 0.47200 3.42700 0.98200 1.000 H46 H 5.26500 2.33600 0.58300 1.000 H47 H 1.15400 1.28000 -0.00500 1.000 H48 H -1.26000 0.97400 0.92000 1.000 H49 H -2.94000 2.35200 0.39500 1.000