# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9PK' 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 3.65000 1.01200 2.45200 1.000 C1 C 2.16600 1.19100 2.78300 1.000 C2 C 2.02400 1.78500 4.18600 1.000 C3 C 3.78500 0.47400 1.02400 1.000 C4 C -8.84700 -2.43600 0.88800 1.000 C5 C -9.09600 -2.78700 2.20400 1.000 C6 C -8.29300 -3.73100 2.69500 1.000 S7 S -7.14500 -4.23100 1.46000 1.000 C8 C -7.84100 -3.09500 0.31200 1.000 C9 C -7.37700 -2.90100 -1.10900 1.000 O10 O -6.37000 -1.88800 -1.14600 1.000 C11 C -5.85800 -1.62500 -2.45400 1.000 C12 C -4.80900 -0.54600 -2.37600 1.000 C13 C -4.38600 0.09200 -1.26000 1.000 N14 N -4.10800 -0.03600 -3.39500 1.000 N15 N -3.30800 0.86300 -2.94100 1.000 N16 N -3.44100 0.97300 -1.66500 1.000 C17 C -2.69600 1.89000 -0.80000 1.000 C18 C -1.19400 1.67800 -1.00300 1.000 O19 O -0.84300 0.34700 -0.61700 1.000 O20 O -3.03400 3.23900 -1.13200 1.000 C21 C -2.37800 4.22000 -0.32600 1.000 C22 C -2.83600 5.61700 -0.75000 1.000 O23 O -4.22900 5.76800 -0.47000 1.000 C24 C -0.86300 4.10100 -0.51000 1.000 O25 O -0.20300 5.04200 0.33800 1.000 C26 C -0.42200 2.68100 -0.14100 1.000 O27 O 0.98000 2.53900 -0.38000 1.000 C28 C 1.62400 1.59900 0.48200 1.000 C29 C 3.08600 1.43600 0.05900 1.000 O30 O 3.14300 0.90800 -1.26800 1.000 O31 O 1.56900 2.07200 1.82900 1.000 O32 O 0.64100 1.84300 4.54000 1.000 O33 O 4.23600 0.08700 3.37000 1.000 O34 O 5.16900 0.37300 0.68000 1.000 C35 C 5.46200 -0.67100 -0.25000 1.000 O36 O 5.18200 -1.93700 0.35100 1.000 C37 C 5.41800 -3.05500 -0.50700 1.000 C38 C 5.06000 -4.34800 0.22900 1.000 O39 O 3.65700 -4.36900 0.50000 1.000 C40 C 6.89600 -3.08800 -0.90600 1.000 O41 O 7.12200 -4.17100 -1.81000 1.000 C42 C 7.26100 -1.76600 -1.58900 1.000 O43 O 8.65600 -1.75800 -1.89900 1.000 C44 C 6.94100 -0.60800 -0.63900 1.000 O45 O 7.21000 0.63400 -1.29300 1.000 H46 H 4.15800 1.97300 2.52900 1.000 H47 H 1.66600 0.22300 2.74500 1.000 H48 H 2.55600 1.15800 4.90100 1.000 H49 H 2.44500 2.79000 4.19900 1.000 H50 H 3.31900 -0.51000 0.95900 1.000 H51 H -9.42600 -1.68800 0.36700 1.000 H52 H -9.88200 -2.33000 2.78800 1.000 H53 H -8.34000 -4.12800 3.69900 1.000 H54 H -6.96500 -3.83700 -1.48700 1.000 H55 H -8.22000 -2.59800 -1.72900 1.000 H56 H -5.41500 -2.53400 -2.86100 1.000 H57 H -6.67000 -1.29500 -3.10300 1.000 H58 H -4.73200 -0.06800 -0.25000 1.000 H59 H -2.95300 1.69700 0.24200 1.000 H60 H -0.94300 1.83100 -2.05300 1.000 H61 H -1.29900 -0.34200 -1.12000 1.000 H62 H -2.63100 4.05700 0.72200 1.000 H63 H -2.27100 6.36800 -0.19700 1.000 H64 H -2.66300 5.74700 -1.81800 1.000 H65 H -4.58800 6.63200 -0.71400 1.000 H66 H -0.60600 4.30400 -1.55000 1.000 H67 H -0.44000 5.96300 0.16300 1.000 H68 H -0.63400 2.49600 0.91200 1.000 H69 H 1.11700 0.63600 0.41500 1.000 H70 H 3.58300 2.40600 0.08700 1.000 H71 H 2.71900 1.46700 -1.93300 1.000 H72 H 0.47500 2.21000 5.42000 1.000 H73 H 4.18100 0.36300 4.29500 1.000 H74 H 4.84600 -0.54800 -1.14100 1.000 H75 H 4.80200 -2.96400 -1.40100 1.000 H76 H 5.32300 -5.20400 -0.39200 1.000 H77 H 5.61200 -4.39700 1.16800 1.000 H78 H 3.35800 -5.16100 0.96600 1.000 H79 H 7.51100 -3.22000 -0.01600 1.000 H80 H 8.04000 -4.25200 -2.10500 1.000 H81 H 6.68200 -1.65700 -2.50600 1.000 H82 H 8.95800 -0.94900 -2.33400 1.000 H83 H 7.55700 -0.69000 0.25700 1.000 H84 H 7.03000 1.41200 -0.74800 1.000