# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'COB' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Co0 Co -3.77700 0.55500 0.61600 1.000 N1 N -3.54900 -1.20100 0.95300 1.000 N2 N -5.05100 -0.04700 -0.55300 1.000 N3 N -3.30300 1.98400 -0.39600 1.000 N4 N -2.43700 0.81600 1.78300 1.000 C5 C -2.23800 -1.42600 1.53000 1.000 C6 C -1.21100 -1.65100 0.41300 1.000 C7 C -2.38400 -2.70000 2.36800 1.000 C8 C -1.06700 -3.45500 2.46000 1.000 C9 C -2.95300 -2.39200 3.74400 1.000 C10 C -3.55800 -3.64300 4.32800 1.000 O11 O -3.42500 -4.70500 3.75700 1.000 N12 N -4.24600 -3.58200 5.48600 1.000 C13 C -3.41600 -3.45900 1.48300 1.000 C14 C -2.70400 -4.24100 0.38200 1.000 C15 C -3.73400 -5.02400 -0.43500 1.000 C16 C -3.03100 -5.79700 -1.52200 1.000 O17 O -1.82600 -5.72800 -1.63200 1.000 N18 N -3.74300 -6.56400 -2.37100 1.000 C19 C -4.21500 -2.33600 0.88700 1.000 C20 C -5.49500 -2.29700 0.31100 1.000 C21 C -6.46400 -3.43200 0.43900 1.000 C22 C -5.78500 -1.16000 -0.38900 1.000 C23 C -7.07100 -1.02900 -1.18200 1.000 C24 C -7.45700 -2.36100 -1.81200 1.000 C25 C -8.19500 -0.48300 -0.31400 1.000 C26 C -9.41700 -0.24700 -1.16300 1.000 O27 O -9.41400 -0.56800 -2.33300 1.000 N28 N -10.51500 0.31900 -0.62300 1.000 C29 C -6.65600 -0.01600 -2.25400 1.000 C30 C -6.37700 -0.71800 -3.57900 1.000 C31 C -6.16400 0.32800 -4.67500 1.000 C32 C -6.08100 -0.35700 -6.01500 1.000 O33 O -6.18200 -1.56300 -6.08600 1.000 N34 N -5.89400 0.37100 -7.13400 1.000 C35 C -5.37000 0.55900 -1.68000 1.000 C36 C -4.71400 1.61800 -2.30700 1.000 C37 C -3.67900 2.24300 -1.66500 1.000 C38 C -2.81000 3.31700 -2.26400 1.000 C39 C -1.71700 2.70700 -3.13100 1.000 C40 C -3.64800 4.31200 -3.05500 1.000 C41 C -2.22200 3.96500 -1.01000 1.000 C42 C -0.70900 4.11700 -1.14300 1.000 C43 C -0.39400 5.25000 -2.12200 1.000 C44 C 1.09900 5.42000 -2.23000 1.000 O45 O 1.83900 4.70500 -1.58800 1.000 N46 N 1.61300 6.36700 -3.04000 1.000 C47 C -2.55400 2.94700 0.08300 1.000 C48 C -2.07800 3.05900 1.40000 1.000 C49 C -1.61900 4.40600 1.90500 1.000 C50 C -2.01000 1.98900 2.20900 1.000 C51 C -1.39700 1.75600 3.57500 1.000 C52 C -2.42600 1.95300 4.67800 1.000 C53 C -0.17500 2.63600 3.78600 1.000 C54 C 0.84800 2.36100 2.68300 1.000 C55 C 2.00300 3.31900 2.81800 1.000 O56 O 2.00700 4.14200 3.71000 1.000 N57 N 3.03200 3.26300 1.94900 1.000 C58 C -0.99600 0.26900 3.44900 1.000 C59 C -1.34400 -0.48600 4.72800 1.000 C60 C -0.72100 0.21300 5.90900 1.000 O61 O 0.21800 0.96300 5.74400 1.000 N62 N -1.20700 0.00500 7.14800 1.000 C63 C -1.88300 -0.20100 2.29700 1.000 C64 C 4.15400 4.19500 2.08100 1.000 C65 C 5.12900 3.98700 0.92000 1.000 C66 C 6.22400 5.05400 0.97600 1.000 O67 O 5.72100 2.69000 1.02200 1.000 O68 O 3.97100 1.73800 -0.69300 1.000 O69 O 6.10000 2.85000 -1.46800 1.000 P70 P 5.53700 1.98100 -0.41100 1.000 O71 O 6.30800 0.56700 -0.41300 1.000 C72 C 6.20800 0.04400 -1.73900 1.000 C73 C 7.61400 -0.20100 -2.33200 1.000 O74 O 8.62500 0.16600 -1.39000 1.000 C75 C 7.64800 -1.72200 -2.60100 1.000 O76 O 6.26200 -2.10300 -2.73900 1.000 C77 C 5.55600 -1.35600 -1.72200 1.000 C78 C 4.06800 -1.26200 -2.06600 1.000 O79 O 3.48100 -2.56400 -2.00000 1.000 N80 N 8.26300 -2.42600 -1.47400 1.000 C81 C 9.61200 -2.49300 -1.18900 1.000 C82 C 7.61100 -3.14000 -0.51600 1.000 N83 N 8.46500 -3.63200 0.33300 1.000 C84 C 9.72400 -3.26700 -0.02100 1.000 C85 C 10.98700 -3.51200 0.52400 1.000 C86 C 12.09900 -2.99400 -0.07700 1.000 C87 C 13.46000 -3.26200 0.51400 1.000 C88 C 11.99000 -2.22500 -1.22700 1.000 C89 C 13.23000 -1.66400 -1.87400 1.000 C90 C 10.75300 -1.97100 -1.78200 1.000 C91 C -5.07300 1.16200 1.84200 1.000 H92 H -0.90100 -0.68900 0.00400 1.000 H93 H -0.34200 -2.17100 0.81700 1.000 H94 H -1.66000 -2.25400 -0.37700 1.000 H95 H -0.30300 -2.80300 2.88400 1.000 H96 H -1.19400 -4.32900 3.09900 1.000 H97 H -0.76100 -3.77400 1.46400 1.000 H98 H -2.15600 -2.03500 4.39600 1.000 H99 H -3.72200 -1.62500 3.65600 1.000 H100 H -4.35200 -2.73300 5.94200 1.000 H101 H -4.63500 -4.38700 5.86200 1.000 H102 H -4.04400 -4.10800 2.07800 1.000 H103 H -2.17300 -3.54900 -0.27100 1.000 H104 H -1.99300 -4.93500 0.83000 1.000 H105 H -4.26500 -5.71700 0.21800 1.000 H106 H -4.44500 -4.33100 -0.88300 1.000 H107 H -4.70800 -6.61900 -2.28200 1.000 H108 H -3.29100 -7.06100 -3.07000 1.000 H109 H -6.40300 -4.06400 -0.44800 1.000 H110 H -6.21800 -4.02200 1.32200 1.000 H111 H -7.47600 -3.03800 0.53500 1.000 H112 H -7.93800 -2.99100 -1.06400 1.000 H113 H -8.14600 -2.18700 -2.63800 1.000 H114 H -6.56200 -2.86000 -2.18400 1.000 H115 H -8.43000 -1.20200 0.47000 1.000 H116 H -7.88000 0.45800 0.13900 1.000 H117 H -10.51700 0.57500 0.31300 1.000 H118 H -11.30100 0.47000 -1.17000 1.000 H119 H -7.40300 0.75800 -2.37000 1.000 H120 H -5.48200 -1.33200 -3.48400 1.000 H121 H -7.22500 -1.35100 -3.84100 1.000 H122 H -7.00000 1.02900 -4.67600 1.000 H123 H -5.23700 0.86900 -4.48600 1.000 H124 H -5.81400 1.33600 -7.07700 1.000 H125 H -5.84100 -0.07000 -7.99600 1.000 H126 H -5.02100 1.94200 -3.29000 1.000 H127 H -2.17000 2.17700 -3.96900 1.000 H128 H -1.06900 3.49800 -3.50900 1.000 H129 H -1.12800 2.00900 -2.53600 1.000 H130 H -4.39500 4.76000 -2.40000 1.000 H131 H -3.00200 5.09300 -3.45700 1.000 H132 H -4.14800 3.79600 -3.87500 1.000 H133 H -2.69300 4.91600 -0.80100 1.000 H134 H -0.28000 4.34900 -0.16900 1.000 H135 H -0.28200 3.18600 -1.51600 1.000 H136 H -0.80500 5.00800 -3.10200 1.000 H137 H -0.84000 6.17700 -1.76000 1.000 H138 H 1.02100 6.93900 -3.55400 1.000 H139 H 2.57400 6.47600 -3.11000 1.000 H140 H -0.56200 4.53900 1.67500 1.000 H141 H -2.19800 5.19300 1.42200 1.000 H142 H -1.76500 4.45900 2.98400 1.000 H143 H -2.74000 2.99600 4.70000 1.000 H144 H -3.29000 1.31700 4.48700 1.000 H145 H -1.98400 1.68600 5.63800 1.000 H146 H 0.26900 2.41400 4.75700 1.000 H147 H -0.47200 3.68400 3.75300 1.000 H148 H 0.37800 2.49500 1.70900 1.000 H149 H 1.21300 1.33800 2.77200 1.000 H150 H 3.02800 2.60500 1.23600 1.000 H151 H 0.05000 0.16600 3.20100 1.000 H152 H -2.42700 -0.51200 4.85100 1.000 H153 H -0.96100 -1.50400 4.66400 1.000 H154 H -1.95800 -0.59500 7.28100 1.000 H155 H -0.80600 0.45400 7.90900 1.000 H156 H 4.66900 4.01200 3.02500 1.000 H157 H 3.78100 5.21900 2.06300 1.000 H158 H 4.59100 4.06700 -0.02500 1.000 H159 H 6.91900 4.90500 0.14900 1.000 H160 H 5.77200 6.04300 0.89900 1.000 H161 H 6.76200 4.97300 1.92100 1.000 H162 H 10.43100 61.98400 4.21600 1.000 H163 H 5.63900 0.72300 -2.37500 1.000 H164 H 7.73900 0.35500 -3.26100 1.000 H165 H 9.47700 -0.00800 -1.81300 1.000 H166 H 8.19300 -1.93200 -3.52200 1.000 H167 H 5.69000 -1.82300 -0.74600 1.000 H168 H 3.57100 -0.60300 -1.35400 1.000 H169 H 3.95300 -0.86300 -3.07300 1.000 H170 H 2.54600 -2.46000 -2.22300 1.000 H171 H 6.54100 -3.27800 -0.46900 1.000 H172 H 11.08400 -4.10900 1.41800 1.000 H173 H 13.87100 -4.17300 0.08100 1.000 H174 H 14.12200 -2.42400 0.29500 1.000 H175 H 13.36900 -3.38000 1.59400 1.000 H176 H 13.61200 -2.37700 -2.60500 1.000 H177 H 12.98700 -0.72700 -2.37300 1.000 H178 H 13.98800 -1.48400 -1.11100 1.000 H179 H 10.67300 -1.37100 -2.67700 1.000 H180 H -5.25300 2.22500 1.68400 1.000 H181 H -6.00100 0.61000 1.69200 1.000 H182 H -4.71500 1.00100 2.85900 1.000