# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9OR' 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 3.38900 2.67100 0.22500 1.000 C1 C 2.86300 -0.98900 0.48700 1.000 C2 C 1.64100 -1.00500 1.16300 1.000 N3 N 0.98000 2.57200 1.51700 1.000 N4 N 2.78600 3.79800 0.65700 1.000 C5 C 1.60200 3.74400 1.29200 1.000 C6 C 2.76600 1.43200 0.44500 1.000 C7 C 1.55500 1.39500 1.10200 1.000 C8 C 1.32600 -4.66500 2.03800 1.000 C9 C 3.84900 -4.63100 0.63800 1.000 C10 C 1.14600 -2.19700 1.66400 1.000 C11 C 3.57600 -2.16300 0.31700 1.000 C12 C 5.10400 -1.02500 -1.23000 1.000 C13 C -5.19700 -0.02900 0.10100 1.000 C14 C -0.47900 0.16000 1.73500 1.000 C15 C 6.02500 -0.77400 -2.39600 1.000 C16 C 4.39900 0.25500 -0.86200 1.000 C17 C 1.86400 -3.36700 1.49200 1.000 C18 C 3.07500 -3.35100 0.82100 1.000 C19 C -3.72800 0.00400 -0.32500 1.000 C20 C -1.36900 0.09800 0.49200 1.000 C21 C -2.83800 0.06500 0.91800 1.000 N22 N 3.36600 0.23100 0.00400 1.000 N23 N 0.92800 0.19100 1.32700 1.000 O24 O 1.08200 4.77600 1.67000 1.000 O25 O 4.46100 2.72800 -0.35400 1.000 O26 O 6.76000 -1.77800 -2.89800 1.000 O27 O 4.76100 1.30800 -1.34500 1.000 O28 O -8.23600 -0.35000 -2.46500 1.000 O29 O 6.10000 0.33000 -2.88000 1.000 O30 O -3.49300 1.15700 -1.13600 1.000 O31 O -1.13400 1.25100 -0.32000 1.000 O32 O -3.07300 -1.08700 1.72900 1.000 O33 O -8.15100 0.91700 -0.28400 1.000 O34 O -8.06400 -1.60200 -0.16000 1.000 O35 O -6.02400 -0.20300 -1.05200 1.000 P36 P -7.63000 -0.28300 -0.97500 1.000 H37 H 0.12500 2.55700 1.97400 1.000 H38 H 3.21200 4.65600 0.50900 1.000 H39 H 0.70600 -5.14800 1.28200 1.000 H40 H 2.15600 -5.32100 2.30000 1.000 H41 H 0.72600 -4.46500 2.92500 1.000 H42 H 4.52600 -4.77000 1.48100 1.000 H43 H 3.15700 -5.47100 0.58600 1.000 H44 H 4.42600 -4.57800 -0.28600 1.000 H45 H 0.20200 -2.21400 2.18900 1.000 H46 H 4.52000 -2.15300 -0.20700 1.000 H47 H 4.36700 -1.78000 -1.50400 1.000 H48 H 5.68600 -1.37700 -0.37700 1.000 H49 H -5.35700 -0.85800 0.79100 1.000 H50 H -5.45400 0.90900 0.59400 1.000 H51 H -0.71200 1.05900 2.30500 1.000 H52 H -0.65800 -0.72000 2.35300 1.000 H53 H -3.49500 -0.89500 -0.89500 1.000 H54 H -1.13600 -0.80100 -0.07800 1.000 H55 H -3.07100 0.96500 1.48800 1.000 H56 H 7.33600 -1.56900 -3.64700 1.000 H57 H -9.20100 -0.40000 -2.49600 1.000 H58 H -3.68100 1.99500 -0.69200 1.000 H59 H -1.32100 2.08900 0.12400 1.000 H60 H -2.88500 -1.92600 1.28500 1.000 H61 H -7.75500 -2.42900 -0.55700 1.000