# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9QQ' 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 2.74000 0.19500 -0.38800 1.000 N1 N 3.69400 1.47800 -1.44000 1.000 N2 N 4.01000 -1.13000 -0.99900 1.000 N3 N 1.39700 -1.00600 0.25500 1.000 N4 N 1.63200 1.70000 0.10100 1.000 C5 C 2.93300 2.71100 -1.76700 1.000 C6 C 1.94500 2.15300 -2.80600 1.000 C7 C 4.16900 3.67300 -2.25900 1.000 C8 C 3.71300 4.70900 -3.31200 1.000 C9 C 4.90700 4.47200 -1.10900 1.000 C10 C 6.16300 5.27800 -1.43100 1.000 O11 O 6.05200 6.41900 -1.89500 1.000 N12 N 7.36200 4.76700 -1.15300 1.000 C13 C 5.19900 2.59900 -2.79300 1.000 C14 C 5.21900 2.07900 -4.26700 1.000 C15 C 6.47300 2.42000 -5.08400 1.000 C16 C 6.45100 1.84000 -6.48500 1.000 O17 O 6.78700 0.66300 -6.66300 1.000 N18 N 6.06700 2.61700 -7.49100 1.000 C19 C 4.94300 1.43300 -1.83800 1.000 C20 C 5.81700 0.38900 -1.51600 1.000 C21 C 7.31100 0.70100 -1.45800 1.000 C22 C 5.33200 -0.93800 -1.36300 1.000 C23 C 6.01600 -2.31700 -1.55100 1.000 C24 C 7.01000 -2.35200 -2.73800 1.000 C25 C 6.74900 -2.72100 -0.21700 1.000 C26 C 7.56800 -4.00400 -0.16400 1.000 O27 O 6.99900 -5.07300 0.08500 1.000 N28 N 8.88500 -3.95200 -0.36000 1.000 C29 C 4.77100 -3.25700 -1.74600 1.000 C30 C 4.22900 -3.59700 -3.16700 1.000 C31 C 3.61400 -4.99700 -3.32000 1.000 C32 C 3.17100 -5.31300 -4.73600 1.000 O33 O 2.04000 -4.98100 -5.11000 1.000 N34 N 4.01800 -5.94400 -5.54100 1.000 C35 C 3.71700 -2.44600 -1.00900 1.000 C36 C 2.57400 -2.99800 -0.45900 1.000 C37 C 1.47300 -2.36500 0.12400 1.000 C38 C 0.28600 -3.09100 0.76100 1.000 C39 C 0.70900 -3.64000 2.14100 1.000 C40 C -0.21100 -4.28000 -0.09900 1.000 C41 C -0.70200 -1.89600 0.91200 1.000 C42 C -1.88100 -1.62700 -0.07000 1.000 C43 C -3.26000 -2.12300 0.39600 1.000 C44 C -4.21200 -2.50200 -0.72400 1.000 O45 O -4.10300 -3.60700 -1.26600 1.000 N46 N -5.15100 -1.63500 -1.08800 1.000 C47 C 0.22500 -0.67000 0.88600 1.000 C48 C 0.00800 0.62100 1.44100 1.000 C49 C -0.94600 0.74200 2.63200 1.000 C50 C 0.54700 1.81300 0.83800 1.000 C51 C 0.13300 3.31300 0.88400 1.000 C52 C 0.49500 3.90900 2.27800 1.000 C53 C -1.39100 3.54500 0.62500 1.000 C54 C -2.09500 2.71800 -0.46700 1.000 C55 C -3.49300 3.21400 -0.75800 1.000 O56 O -3.68600 3.97200 -1.72100 1.000 N57 N -4.47800 2.78800 0.05600 1.000 C58 C 1.00600 3.93800 -0.27900 1.000 C59 C 1.40000 5.43900 -0.22400 1.000 C60 C 0.27400 6.45900 -0.33200 1.000 O61 O -0.23600 6.93800 0.68600 1.000 N62 N -0.12600 6.81200 -1.55300 1.000 C63 C 2.21000 2.96400 -0.42100 1.000 C64 C -5.90400 3.11000 -0.09100 1.000 C65 C -6.78300 1.88300 -0.12100 1.000 O66 O -6.61700 1.14500 1.09000 1.000 O67 O -8.55400 -0.44600 0.95500 1.000 O68 O -8.68100 1.65100 2.42000 1.000 P69 P -7.87700 0.52600 1.86200 1.000 O70 O -7.14500 -0.25800 3.06100 1.000 C71 C -7.87000 -1.10800 3.94800 1.000 C72 C -7.07900 -2.36700 4.35000 1.000 O73 O -6.19200 -2.77300 3.32400 1.000 C74 C -6.36800 -1.94400 5.63100 1.000 O75 O -7.14400 -0.88600 6.19800 1.000 C76 C -8.12300 -0.36800 5.27000 1.000 C77 C -9.50100 -0.51100 5.88400 1.000 O78 O -9.59700 0.21900 7.09700 1.000 N79 N -4.98600 -1.50000 5.47000 1.000 C80 C -3.86200 -2.30800 5.52100 1.000 C81 C -4.53600 -0.23900 5.25100 1.000 N82 N -3.23100 -0.16000 5.15600 1.000 C83 C -2.76500 -1.45900 5.32200 1.000 C84 C -1.46800 -1.96700 5.31500 1.000 C85 C -1.29700 -3.31100 5.50500 1.000 C86 C -2.39400 -4.16400 5.70400 1.000 C87 C -3.68300 -3.67500 5.71400 1.000 O88 O -2.23700 -5.51400 5.89700 1.000 H89 H 2.41700 1.88400 -3.60700 1.000 H90 H 1.29500 2.83800 -3.05200 1.000 H91 H 1.47300 1.37400 -2.45100 1.000 H92 H 3.21200 4.27600 -4.02300 1.000 H93 H 4.49100 5.14700 -3.70400 1.000 H94 H 3.14800 5.38100 -2.89400 1.000 H95 H 4.26200 5.10900 -0.71500 1.000 H96 H 5.14000 3.83400 -0.38800 1.000 H97 H 8.09500 5.23400 -1.33400 1.000 H98 H 7.43900 3.95800 -0.79200 1.000 H99 H 6.10000 2.93000 -2.59300 1.000 H100 H 4.43800 2.42700 -4.74600 1.000 H101 H 5.12900 1.09700 -4.25500 1.000 H102 H 7.25100 2.07900 -4.61900 1.000 H103 H 6.55900 3.38300 -5.14000 1.000 H104 H 6.05600 2.28600 -8.31400 1.000 H105 H 5.81700 3.46200 -7.36600 1.000 H106 H 7.77300 0.02500 -0.94100 1.000 H107 H 7.44700 1.56600 -1.04000 1.000 H108 H 7.67200 0.71900 -2.35900 1.000 H109 H 6.63300 -1.87200 -3.49900 1.000 H110 H 7.18700 -3.27900 -2.99500 1.000 H111 H 7.85300 -1.93600 -2.48300 1.000 H112 H 7.34100 -1.99300 0.02300 1.000 H113 H 6.08600 -2.77200 0.49000 1.000 H114 H 9.36800 -4.69600 -0.32600 1.000 H115 H 9.28900 -3.17800 -0.53100 1.000 H116 H 4.89900 -4.10500 -1.24500 1.000 H117 H 4.95100 -3.52100 -3.82200 1.000 H118 H 3.54400 -2.93300 -3.41400 1.000 H119 H 2.84800 -5.06800 -2.73200 1.000 H120 H 4.26400 -5.65800 -3.04100 1.000 H121 H 3.76500 -6.13700 -6.37000 1.000 H122 H 4.83400 -6.17900 -5.27500 1.000 H123 H 2.56300 -3.94200 -0.45200 1.000 H124 H -0.06400 -4.03200 2.59600 1.000 H125 H 1.06900 -2.91400 2.68800 1.000 H126 H 1.39900 -4.32400 2.02800 1.000 H127 H 0.44200 -5.00900 -0.07300 1.000 H128 H -0.32000 -3.99000 -1.02500 1.000 H129 H -1.06800 -4.60100 0.24300 1.000 H130 H -1.09200 -1.94300 1.82300 1.000 H131 H -1.67700 -2.03500 -0.94000 1.000 H132 H -1.95100 -0.65600 -0.22100 1.000 H133 H -3.67100 -1.42800 0.93100 1.000 H134 H -3.14200 -2.89700 0.96600 1.000 H135 H -5.72000 -1.85900 -1.73200 1.000 H136 H -5.22700 -0.83400 -0.70900 1.000 H137 H -1.07000 -0.11900 3.05600 1.000 H138 H -1.80500 1.07400 2.32800 1.000 H139 H -0.57600 1.35400 3.28500 1.000 H140 H -0.02200 3.47500 2.97200 1.000 H141 H 0.29700 4.86300 2.29900 1.000 H142 H 1.44500 3.77300 2.45800 1.000 H143 H -1.52700 4.48900 0.41100 1.000 H144 H -1.87300 3.38000 1.46000 1.000 H145 H -2.14200 1.79300 -0.18600 1.000 H146 H -1.57700 2.74800 -1.28300 1.000 H147 H -4.26800 2.28900 0.74800 1.000 H148 H 0.49100 3.83200 -1.12100 1.000 H149 H 2.01700 5.61600 -0.95100 1.000 H150 H 1.89200 5.61100 0.59900 1.000 H151 H -0.77700 7.40600 -1.65100 1.000 H152 H 0.25100 6.45600 -2.27700 1.000 H153 H 2.89500 3.26300 0.22200 1.000 H154 H -6.03900 3.61900 -0.91600 1.000 H155 H -6.17200 3.67800 0.65900 1.000 H156 H -6.53600 1.31700 -0.88700 1.000 H157 H -7.72400 2.15500 -0.22200 1.000 H158 H -8.82800 -0.91500 -0.47800 1.000 H159 H -8.71800 -1.39400 3.53100 1.000 H160 H -7.72400 -3.09100 4.55300 1.000 H161 H -5.86700 -3.53000 3.49600 1.000 H162 H -6.38600 -2.70500 6.26900 1.000 H163 H -7.94500 0.59600 5.13300 1.000 H164 H -10.17500 -0.18100 5.25500 1.000 H165 H -9.68400 -1.45700 6.06200 1.000 H166 H -10.37400 0.12100 7.41600 1.000 H167 H -5.11400 0.49800 5.17800 1.000 H168 H -0.72700 -1.39900 5.18200 1.000 H169 H -0.42300 -3.67100 5.50300 1.000 H170 H -4.41800 -4.24600 5.84700 1.000 H171 H -1.40500 -5.72700 5.87400 1.000