# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9KJ' 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 0.50800 1.74100 -0.21900 1.000 C1 C -3.74600 -1.53300 -0.08300 1.000 C2 C -4.13900 -0.47200 -1.11500 1.000 C3 C -4.46700 0.83500 -0.38700 1.000 O4 O -4.76500 1.85300 -1.34500 1.000 O5 O -2.43800 2.99400 1.92100 1.000 C6 C -3.60000 2.53300 1.22900 1.000 C7 C -3.25900 1.26000 0.45200 1.000 O8 O -2.92800 0.21600 1.36900 1.000 C9 C -2.56600 -1.01700 0.74400 1.000 O10 O -1.44100 -0.80600 -0.11100 1.000 C11 C -0.22200 -0.54100 0.58700 1.000 C12 C 0.56000 -1.85300 0.85900 1.000 O13 O 0.14100 -2.44500 2.09000 1.000 C14 C 2.02300 -1.37300 0.95400 1.000 C15 C 2.95100 -2.39500 0.29500 1.000 O16 O 2.47100 -2.69700 -1.01700 1.000 N17 N 2.10700 -0.08500 0.24000 1.000 C18 C 3.11700 -0.14000 -0.82600 1.000 P19 P 4.60400 0.77500 -0.30200 1.000 O20 O 5.30000 0.00700 0.93000 1.000 O21 O 5.63900 0.86600 -1.53200 1.000 O22 O 4.22000 2.14000 0.12200 1.000 C23 C 0.77300 0.23600 -0.31000 1.000 O24 O 1.35700 2.43000 -1.14000 1.000 O25 O -3.36800 -2.73600 -0.75600 1.000 O26 O -5.28500 -0.91500 -1.84500 1.000 H27 H -0.53400 1.94200 -0.46600 1.000 H28 H 0.71500 2.08600 0.79400 1.000 H29 H -4.59200 -1.73400 0.57400 1.000 H30 H -3.31000 -0.30800 -1.80400 1.000 H31 H -5.32800 0.68400 0.26400 1.000 H32 H -5.51800 1.64800 -1.91600 1.000 H33 H -2.58100 3.80000 2.43600 1.000 H34 H -4.39000 2.31900 1.94900 1.000 H35 H -3.93900 3.30200 0.53500 1.000 H36 H -2.41000 1.45100 -0.20400 1.000 H37 H -2.31000 -1.75100 1.50800 1.000 H38 H -0.41500 -0.00300 1.51500 1.000 H39 H 0.43700 -2.55300 0.03200 1.000 H40 H 0.60000 -3.26900 2.30600 1.000 H41 H 2.30100 -1.23600 1.99900 1.000 H42 H 3.95700 -1.98300 0.22800 1.000 H43 H 2.97000 -3.30600 0.89300 1.000 H44 H 3.01200 -3.34000 -1.49500 1.000 H45 H 3.38000 -1.17900 -1.02400 1.000 H46 H 2.71300 0.31200 -1.73200 1.000 H47 H 5.51300 -0.91900 0.74700 1.000 H48 H 6.45600 1.34100 -1.32400 1.000 H49 H 0.69500 -0.10000 -1.34300 1.000 H50 H 1.24300 3.39000 -1.13600 1.000 H51 H -3.10200 -3.45200 -0.16200 1.000 H52 H -5.14900 -1.74300 -2.32600 1.000