# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9W4' 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 0.36600 -1.44300 -0.27300 1.000 C1 C -1.02600 -1.38700 -0.13300 1.000 C2 C -1.78000 -2.55700 -0.17000 1.000 C3 C -3.14400 -2.51200 -0.03500 1.000 C4 C -3.80600 -1.27900 0.14400 1.000 C5 C -8.64000 2.02000 -0.16400 1.000 C6 C -9.16300 -0.09600 0.82900 1.000 C7 C 3.18500 0.59900 -1.56300 1.000 C8 C 4.56400 0.59400 -1.59500 1.000 C9 C 5.26900 -0.43700 -1.00000 1.000 O10 O 0.40100 0.46800 -1.40500 1.000 C11 C 1.02300 -0.43900 -0.88700 1.000 N12 N -5.12600 -1.04500 0.29300 1.000 C13 C -5.50900 0.17600 0.44400 1.000 S14 S -4.12500 1.25900 0.41300 1.000 C15 C -3.04000 -0.11000 0.18100 1.000 C16 C -1.65600 -0.16800 0.04800 1.000 N17 N -6.82000 0.57600 0.60700 1.000 C18 C -7.20200 1.55900 -0.41700 1.000 O19 O -9.50500 0.88100 -0.15700 1.000 C20 C -7.73000 -0.57800 0.58600 1.000 C21 C 2.50100 -0.44000 -0.92900 1.000 C22 C 6.77600 -0.43500 -1.03800 1.000 N23 N 7.29300 0.27100 0.13600 1.000 C24 C 7.59000 -0.28300 1.33300 1.000 O25 O 7.48500 -1.45000 1.65000 1.000 C26 C 8.07600 0.84400 2.18000 1.000 N27 N 8.02100 1.90900 1.43500 1.000 C28 C 7.56400 1.58700 0.21500 1.000 O29 O 7.40700 2.37800 -0.69300 1.000 C30 C 4.59800 -1.46900 -0.36900 1.000 C31 C 3.21900 -1.48000 -0.33500 1.000 H32 H 0.85800 -2.20400 0.07500 1.000 H33 H -1.28600 -3.50800 -0.30700 1.000 H34 H -3.71600 -3.42800 -0.06600 1.000 H35 H -8.69500 2.52600 0.80000 1.000 H36 H -8.94600 2.70500 -0.95400 1.000 H37 H -9.23400 0.34800 1.82200 1.000 H38 H -9.84800 -0.94100 0.75900 1.000 H39 H 2.63500 1.40600 -2.02400 1.000 H40 H 5.09400 1.39700 -2.08600 1.000 H41 H -1.07200 0.74000 0.08200 1.000 H42 H -7.13500 1.10100 -1.40400 1.000 H43 H -6.53100 2.41700 -0.36700 1.000 H44 H -7.44500 -1.28100 1.36900 1.000 H45 H -7.67100 -1.07000 -0.38400 1.000 H46 H 7.14100 -1.46200 -1.03500 1.000 H47 H 7.11500 0.06900 -1.94400 1.000 H48 H 8.40300 0.78900 3.20800 1.000 H49 H 5.15400 -2.27100 0.09300 1.000 H50 H 2.69600 -2.28600 0.15700 1.000