# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '94O' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy P0 P 6.36000 -1.75700 -0.46000 1.000 O1 O 6.57500 -2.53300 -1.85400 1.000 O2 O 7.64400 -1.16700 -0.02000 1.000 O3 O 5.27200 -0.58700 -0.65800 1.000 C4 C 4.93800 0.34800 0.36900 1.000 C5 C 3.87600 1.31900 -0.15000 1.000 O6 O 2.61400 0.63700 -0.32400 1.000 C7 C 1.61500 1.68000 -0.32100 1.000 N8 N 0.29800 1.12300 -0.00100 1.000 C9 C 0.14900 0.39100 1.11300 1.000 O10 O 1.12300 0.21200 1.82700 1.000 N11 N -1.01000 -0.14800 1.47500 1.000 C12 C -2.09900 0.02300 0.72300 1.000 N13 N -3.27400 -0.51200 1.06300 1.000 C14 C -4.35100 -0.34900 0.31900 1.000 C15 C -5.74500 -0.83700 0.48400 1.000 C16 C -6.33700 -1.61300 1.47300 1.000 C17 C -7.68200 -1.93400 1.39100 1.000 C18 C -8.44300 -1.48600 0.32800 1.000 C19 C -7.86900 -0.71100 -0.66500 1.000 C20 C -6.51900 -0.38100 -0.59600 1.000 C21 C -5.65500 0.41800 -1.49900 1.000 C22 C -4.29900 0.43100 -0.91600 1.000 C23 C -3.11100 1.01100 -1.32100 1.000 C24 C -1.97700 0.82000 -0.50700 1.000 C25 C -0.73600 1.36200 -0.82700 1.000 O26 O -6.00100 0.96100 -2.53000 1.000 C27 C 2.06900 2.65800 0.78400 1.000 C28 C 3.59000 2.41600 0.89900 1.000 O29 O 4.31300 3.60800 0.58700 1.000 H30 H 7.21900 -3.25300 -1.80800 1.000 H31 H 4.55000 -0.18700 1.23500 1.000 H32 H 5.83000 0.90500 0.65600 1.000 H33 H 4.19900 1.76700 -1.08900 1.000 H34 H 1.59000 2.18400 -1.28700 1.000 H35 H -5.74700 -1.96700 2.30600 1.000 H36 H -8.13800 -2.53700 2.16200 1.000 H37 H -9.49100 -1.74200 0.27200 1.000 H38 H -8.46800 -0.36400 -1.49400 1.000 H39 H -3.05300 1.59000 -2.23000 1.000 H40 H -0.60500 1.95400 -1.72200 1.000 H41 H 1.86800 3.68800 0.48900 1.000 H42 H 1.57100 2.42800 1.72600 1.000 H43 H 3.84600 2.06400 1.89900 1.000 H44 H 4.17000 4.33000 1.21400 1.000 O45 O 5.83600 -2.79300 0.65600 1.000 H46 H 4.99700 -3.21900 0.43400 1.000