# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'COA' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy N0 N 5.31900 1.84400 -8.04800 1.000 C1 C 4.09900 1.80200 -8.54900 1.000 N2 N 3.05000 1.46500 -7.82900 1.000 C3 C 3.18400 1.14300 -6.54600 1.000 C4 C 4.46300 1.17700 -5.96400 1.000 C5 C 5.55100 1.54300 -6.77400 1.000 N6 N 6.83400 1.59000 -6.25800 1.000 N7 N 4.32000 0.81700 -4.66600 1.000 C8 C 3.06600 0.57500 -4.41900 1.000 N9 N 2.32400 0.76500 -5.54700 1.000 C10 C 0.87400 0.59200 -5.67100 1.000 C11 C 0.52200 -0.88700 -5.97200 1.000 O12 O 0.57400 -1.14800 -7.37600 1.000 C13 C -0.93300 -0.98800 -5.44500 1.000 O14 O -1.86400 -0.84600 -6.51900 1.000 P15 P -2.75600 -2.18600 -6.54200 1.000 O16 O -3.46300 -2.33100 -5.25000 1.000 O17 O -3.83300 -2.09400 -7.73500 1.000 O18 O -1.80200 -3.46200 -6.77700 1.000 C19 C -1.05500 0.18800 -4.45700 1.000 O20 O 0.22300 0.84300 -4.40700 1.000 C21 C -1.42600 -0.33500 -3.06800 1.000 O22 O -1.53000 0.76000 -2.15800 1.000 P23 P -1.92100 0.14000 -0.72400 1.000 O24 O -0.86600 -0.80300 -0.29200 1.000 O25 O -3.32400 -0.64000 -0.84200 1.000 O26 O -2.05500 1.32600 0.35500 1.000 P27 P -2.44500 0.63700 1.75700 1.000 O28 O -3.72700 -0.08700 1.61100 1.000 O29 O -1.28900 -0.39700 2.18600 1.000 O30 O -2.59600 1.77200 2.88900 1.000 C31 C -3.10100 2.12800 5.22500 1.000 C32 C -2.94100 1.10100 4.10300 1.000 C33 C -1.78400 2.88400 5.41600 1.000 C34 C -4.20800 3.11800 4.85700 1.000 C35 C -3.47000 1.41000 6.52500 1.000 O36 O -4.76400 0.81900 6.39100 1.000 C37 C -2.45300 0.33500 6.81100 1.000 O38 O -2.75800 -0.83200 6.69900 1.000 N39 N -1.20500 0.67200 7.19100 1.000 C40 C -0.24000 -0.37000 7.54700 1.000 C41 C 1.08900 0.27500 7.93800 1.000 C42 C 2.08100 -0.79700 8.30500 1.000 O43 O 1.75600 -1.96500 8.25800 1.000 N44 N 3.32900 -0.46000 8.68500 1.000 C45 C 4.29400 -1.50400 9.04100 1.000 C46 C 5.62400 -0.85700 9.43200 1.000 S47 S 6.81800 -2.15000 9.87300 1.000 H48 H 3.95500 2.05400 -9.59000 1.000 H49 H 7.57700 1.84400 -6.82700 1.000 H50 H 6.99000 1.36800 -5.32600 1.000 H51 H 2.67000 0.26900 -3.46200 1.000 H52 H 0.47500 1.24700 -6.44500 1.000 H53 H 1.18200 -1.56200 -5.42700 1.000 H54 H 1.48400 -0.97800 -7.65800 1.000 H55 H -1.08700 -1.93600 -4.93000 1.000 H56 H -4.34500 -2.91400 -7.71300 1.000 H57 H -1.36200 -3.32800 -7.62800 1.000 H58 H -1.81600 0.88600 -4.80500 1.000 H59 H -0.65500 -1.02300 -2.72100 1.000 H60 H -2.38200 -0.85700 -3.12000 1.000 H61 H -3.98200 0.00800 -1.12500 1.000 H62 H -0.47300 0.11400 2.27000 1.000 H63 H -2.15200 0.39600 4.36500 1.000 H64 H -3.87900 0.56300 3.96700 1.000 H65 H -0.97200 2.17000 5.55600 1.000 H66 H -1.58400 3.49400 4.53500 1.000 H67 H -1.85800 3.52600 6.29400 1.000 H68 H -5.15900 2.59000 4.78700 1.000 H69 H -4.27600 3.88900 5.62500 1.000 H70 H -3.97800 3.58000 3.89700 1.000 H71 H -3.48100 2.12700 7.34600 1.000 H72 H -4.71000 0.19200 5.65600 1.000 H73 H -0.94500 1.60600 7.22900 1.000 H74 H -0.62400 -0.94800 8.38800 1.000 H75 H -0.08700 -1.03000 6.69300 1.000 H76 H 1.47300 0.85300 7.09800 1.000 H77 H 0.93500 0.93500 8.79300 1.000 H78 H 3.58900 0.47300 8.72200 1.000 H79 H 3.91000 -2.08200 9.88100 1.000 H80 H 4.44800 -2.16300 8.18700 1.000 H81 H 6.00800 -0.27900 8.59100 1.000 H82 H 5.47000 -0.19800 10.28600 1.000 H83 H 7.88500 -1.38800 10.17500 1.000