# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9S0' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy O0 O 2.57000 2.22100 0.32500 1.000 O1 O -3.18400 -2.29700 -1.07600 1.000 C2 C 1.14500 -0.06000 -0.79900 1.000 C3 C 1.96800 -0.08700 0.46300 1.000 C4 C -0.31900 -0.14100 -0.45200 1.000 C5 C 2.61600 1.01600 0.94500 1.000 C6 C 1.42800 1.23500 -1.51800 1.000 C7 C -2.24000 0.76800 0.65700 1.000 C8 C -0.89700 0.83800 0.33600 1.000 C9 C 2.09500 2.25700 -0.93600 1.000 C10 C 2.22100 -1.14600 1.32500 1.000 N11 N 2.98900 -0.70700 2.29400 1.000 N12 N -2.85400 1.81700 1.50100 1.000 N13 N 2.29900 3.39800 -1.67200 1.000 C14 C -1.08400 -1.19000 -0.92700 1.000 C15 C -2.43100 -1.26600 -0.60900 1.000 C16 C -3.01000 -0.28400 0.18800 1.000 N17 N 3.24900 0.65400 2.07200 1.000 C18 C -2.52200 -3.26800 -1.89000 1.000 C19 C 2.69600 -3.37700 0.35300 1.000 C20 C 1.70300 -2.55300 1.17500 1.000 C21 C 0.97400 1.38800 -2.86800 1.000 O22 O -4.33100 -0.35400 0.50300 1.000 O23 O -2.17600 2.74200 1.91300 1.000 O24 O -4.03700 1.75600 1.78300 1.000 N25 N 0.61400 1.50900 -3.93800 1.000 C26 C 2.17000 -4.80600 0.20100 1.000 H27 H 1.41900 -0.90100 -1.43500 1.000 H28 H -0.29700 1.65800 0.70200 1.000 H29 H 2.77300 4.14800 -1.28200 1.000 H30 H 1.96800 3.45300 -2.58200 1.000 H31 H -0.63200 -1.95100 -1.54600 1.000 H32 H 3.79100 1.23100 2.63400 1.000 H33 H -3.23600 -4.03300 -2.19500 1.000 H34 H -2.11100 -2.78100 -2.77400 1.000 H35 H -1.71500 -3.72900 -1.32100 1.000 H36 H 2.81500 -2.92700 -0.63200 1.000 H37 H 3.66000 -3.39800 0.86200 1.000 H38 H 1.58400 -3.00300 2.16000 1.000 H39 H 0.73900 -2.53300 0.66600 1.000 H40 H -4.91100 0.09300 -0.13000 1.000 H41 H 2.87700 -5.39300 -0.38400 1.000 H42 H 2.05100 -5.25600 1.18600 1.000 H43 H 1.20600 -4.78500 -0.30800 1.000