# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'COK' 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 2.43400 7.05900 -2.70000 1.000 C1 C 3.40900 6.08300 -2.80900 1.000 N2 N 4.39400 6.20100 -3.69300 1.000 C3 C 5.32800 5.27500 -3.80400 1.000 N4 N 5.34200 4.19200 -3.05500 1.000 C5 C 4.39800 3.98800 -2.14300 1.000 C6 C 3.38400 4.94700 -1.98200 1.000 N7 N 2.56800 4.50400 -0.99600 1.000 C8 C 3.00800 3.36400 -0.54800 1.000 N9 N 4.13100 2.99800 -1.23000 1.000 C10 C 4.91700 1.78100 -1.01600 1.000 O11 O 4.09800 0.75200 -0.42000 1.000 C12 C 6.03800 2.03900 0.01500 1.000 O13 O 7.27900 2.29000 -0.64700 1.000 C14 C 6.11300 0.72600 0.82500 1.000 O15 O 7.40300 0.12600 0.68800 1.000 P16 P 8.36300 -0.18400 1.94200 1.000 O17 O 7.63600 -1.01300 2.92800 1.000 O18 O 9.67000 -0.97500 1.43500 1.000 O19 O 8.80900 1.20200 2.63200 1.000 C20 C 5.02800 -0.17100 0.18800 1.000 C21 C 4.32700 -1.00400 1.26300 1.000 O22 O 3.35800 -1.85600 0.64800 1.000 P23 P 2.43100 -2.87400 1.48200 1.000 O24 O 1.70200 -2.12900 2.53300 1.000 O25 O 3.35300 -4.00300 2.16500 1.000 O26 O 1.37300 -3.57300 0.48900 1.000 P27 P -0.03200 -4.32900 0.70400 1.000 O28 O -0.87000 -3.55400 1.64700 1.000 O29 O 0.23600 -5.79800 1.30700 1.000 O30 O -0.79300 -4.45900 -0.70800 1.000 C31 C -2.11300 -4.99100 -0.83500 1.000 C32 C -2.53200 -4.97100 -2.30600 1.000 C33 C -2.51000 -3.53100 -2.82400 1.000 C34 C -1.55900 -5.82200 -3.12500 1.000 C35 C -3.94500 -5.54000 -2.44200 1.000 O36 O -3.93800 -6.92400 -2.08500 1.000 C37 C -4.87900 -4.79100 -1.52700 1.000 O38 O -5.36400 -5.34900 -0.56600 1.000 N39 N -5.17500 -3.50000 -1.77700 1.000 C40 C -6.00400 -2.74300 -0.83600 1.000 C41 C -6.18700 -1.31400 -1.35200 1.000 C42 C -7.04000 -0.53500 -0.38400 1.000 O43 O -7.46000 -1.07000 0.62000 1.000 N44 N -7.33500 0.75600 -0.63400 1.000 C45 C -8.16500 1.51300 0.30700 1.000 C46 C -8.34700 2.94100 -0.20900 1.000 S47 S -9.37400 3.87800 0.95600 1.000 S48 S -8.14400 4.09800 2.58100 1.000 C49 C -7.17300 5.57100 2.16200 1.000 C50 C -8.07200 6.80700 2.21400 1.000 O51 O -7.30700 7.96800 1.88400 1.000 H52 H 2.46400 7.84100 -3.27400 1.000 H53 H 1.71800 6.96000 -2.05300 1.000 H54 H 6.11100 5.41000 -4.53600 1.000 H55 H 2.54700 2.78800 0.24000 1.000 H56 H 5.33900 1.43200 -1.95900 1.000 H57 H 5.77600 2.87600 0.66300 1.000 H58 H 7.27000 3.07100 -1.21800 1.000 H59 H 5.88900 0.91200 1.87600 1.000 H60 H 10.29500 -1.19500 2.13900 1.000 H61 H 9.29200 1.79700 2.04200 1.000 H62 H 5.46900 -0.82000 -0.56900 1.000 H63 H 5.06300 -1.61100 1.78900 1.000 H64 H 3.83000 -0.34000 1.97000 1.000 H65 H 3.86000 -4.53100 1.53400 1.000 H66 H 0.78000 -6.36200 0.74100 1.000 H67 H -2.12800 -6.01600 -0.46700 1.000 H68 H -2.80600 -4.38500 -0.25200 1.000 H69 H -1.48400 -3.16400 -2.83400 1.000 H70 H -2.91600 -3.50200 -3.83500 1.000 H71 H -3.11500 -2.90200 -2.17100 1.000 H72 H -1.61800 -6.86000 -2.79700 1.000 H73 H -1.82100 -5.75900 -4.18100 1.000 H74 H -0.54300 -5.45300 -2.98000 1.000 H75 H -4.28300 -5.43300 -3.47300 1.000 H76 H -3.64700 -7.09500 -1.17900 1.000 H77 H -4.83900 -3.07200 -2.58000 1.000 H78 H -6.97800 -3.22300 -0.74300 1.000 H79 H -5.51600 -2.71700 0.13900 1.000 H80 H -5.21300 -0.83400 -1.44600 1.000 H81 H -6.67400 -1.33900 -2.32700 1.000 H82 H -6.99900 1.18400 -1.43700 1.000 H83 H -9.13900 1.03300 0.40000 1.000 H84 H -7.67700 1.53800 1.28200 1.000 H85 H -7.37300 3.42100 -0.30300 1.000 H86 H -8.83500 2.91600 -1.18400 1.000 H87 H -6.35700 5.68500 2.87600 1.000 H88 H -6.76300 5.46200 1.15800 1.000 H89 H -8.88700 6.69400 1.50000 1.000 H90 H -8.48200 6.91600 3.21800 1.000 H91 H -7.81500 8.79100 1.89700 1.000