# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CPO' 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 -29.21200 30.56300 -3.62300 1.000 C1 C -28.48500 31.20700 -4.80700 1.000 C2 C -29.14400 30.83100 -6.19100 1.000 C3 C -30.41700 29.92400 -6.32100 1.000 C4 C -30.84400 29.43000 -7.69900 1.000 N5 N -30.46100 28.04800 -7.83100 1.000 C6 C -29.64800 27.66400 -8.79600 1.000 O7 O -30.35600 30.87000 -3.35900 1.000 N8 N -27.15300 30.75800 -4.97000 1.000 O9 O -30.92600 27.12900 -6.96100 1.000 O10 O -29.34100 26.50400 -8.87900 1.000 C11 C -26.49300 29.82400 -4.20800 1.000 C12 C -27.25200 29.12700 -2.99300 1.000 C13 C -27.53100 27.78700 -3.67900 1.000 C14 C -26.52100 26.63300 -3.67800 1.000 C15 C -26.89100 25.37100 -4.49600 1.000 O16 O -25.33500 29.50400 -4.42400 1.000 N17 N -28.56500 29.61700 -2.85100 1.000 C18 C -27.57900 27.04100 -11.22700 1.000 C19 C -28.47700 28.33800 -11.12500 1.000 C20 C -28.73300 29.21000 -12.39600 1.000 C21 C -27.45400 30.01100 -12.61900 1.000 O22 O -27.50100 30.54400 -13.86900 1.000 C23 C -29.07400 28.72000 -9.84200 1.000 Fe24 Fe -29.98400 25.37700 -7.29800 1.000 N25 N -28.16200 25.29900 -5.24800 1.000 C26 C -29.23900 24.75000 -4.70400 1.000 C27 C -29.19900 24.18900 -3.23400 1.000 C28 C -28.75200 22.97600 -2.85900 1.000 C29 C -29.16200 22.39800 -1.51600 1.000 C30 C -30.28400 21.33400 -1.71200 1.000 O31 O -31.48100 22.02200 -2.17800 1.000 O32 O -28.23600 25.78400 -6.45800 1.000 O33 O -30.33300 24.69900 -5.39100 1.000 C34 C -31.80000 21.52700 -3.51400 1.000 C35 C -32.44800 22.48800 -4.57100 1.000 C36 C -33.29900 21.73500 -5.60900 1.000 C37 C -33.83200 22.64300 -6.75300 1.000 C38 C -32.86400 22.64000 -7.95700 1.000 N39 N -31.71600 23.40900 -7.94100 1.000 C40 C -30.56300 22.86600 -8.06900 1.000 C41 C -30.41900 21.28400 -8.25400 1.000 C42 C -29.45600 20.54000 -7.29200 1.000 C43 C -29.88400 19.05200 -6.89600 1.000 C44 C -28.62500 18.27600 -6.36700 1.000 O45 O -28.76300 18.11600 -4.94100 1.000 O46 O -31.54800 20.33500 -3.81900 1.000 O47 O -31.79600 24.75200 -7.79600 1.000 O48 O -29.56400 23.57700 -8.05700 1.000 C49 C -28.79100 21.35400 -6.30200 1.000 N50 N -33.38200 23.20500 -3.85900 1.000 C51 C -33.30300 24.44700 -3.30500 1.000 O52 O -32.79200 25.42000 -3.97600 1.000 C53 C -33.82700 24.69200 -1.87600 1.000 H54 H -28.53900 32.27900 -4.56700 1.000 H55 H -29.43000 31.79200 -6.64300 1.000 H56 H -28.35700 30.30200 -6.74900 1.000 H57 H -30.21900 29.02500 -5.71800 1.000 H58 H -31.25900 30.51500 -5.93000 1.000 H59 H -31.93500 29.52600 -7.80700 1.000 H60 H -30.35000 30.02900 -8.47800 1.000 H61 H -26.63500 31.16500 -5.72200 1.000 H62 H -26.70500 29.20400 -2.04200 1.000 H63 H -28.42800 27.38800 -3.18400 1.000 H64 H -27.69200 28.03100 -4.73900 1.000 H65 H -25.58400 27.02600 -4.09900 1.000 H66 H -26.39800 26.31400 -2.63200 1.000 H67 H -26.09300 25.25400 -5.24400 1.000 H68 H -26.92300 24.54300 -3.77200 1.000 H69 H -29.09600 29.23200 -2.09600 1.000 H70 H -27.51300 26.56100 -10.23900 1.000 H71 H -28.02800 26.34000 -11.94600 1.000 H72 H -26.57100 27.31900 -11.56700 1.000 H73 H -28.94900 28.57300 -13.26700 1.000 H74 H -29.59000 29.88200 -12.24000 1.000 H75 H -27.38000 30.81500 -11.87100 1.000 H76 H -26.57800 29.35200 -12.52500 1.000 H77 H -26.71200 31.04800 -14.02900 1.000 H78 H -29.12700 29.77000 -9.59300 1.000 H79 H -29.56500 24.83900 -2.45300 1.000 H80 H -28.29000 21.92300 -1.04400 1.000 H81 H -29.53700 23.20700 -0.87200 1.000 H82 H -29.96700 20.58700 -2.45500 1.000 H83 H -30.49000 20.82600 -0.75900 1.000 H84 H -31.65000 23.05400 -5.07500 1.000 H85 H -32.67400 20.94900 -6.05900 1.000 H86 H -34.16400 21.29600 -5.08900 1.000 H87 H -34.81200 22.26700 -7.08100 1.000 H88 H -33.93100 23.67200 -6.37600 1.000 H89 H -32.52800 21.59900 -8.07000 1.000 H90 H -33.45200 22.99400 -8.81700 1.000 H91 H -30.97000 20.75500 -9.01800 1.000 H92 H -30.65300 19.08700 -6.11000 1.000 H93 H -30.28900 18.53800 -7.78000 1.000 H94 H -28.56200 17.29000 -6.85000 1.000 H95 H -27.71100 18.84500 -6.59400 1.000 H96 H -28.01000 17.64800 -4.60000 1.000 H97 H -28.13900 20.72000 -5.68300 1.000 H98 H -28.18500 22.12100 -6.80600 1.000 H99 H -29.54200 21.84100 -5.66300 1.000 H100 H -34.25800 22.74100 -3.72700 1.000 H101 H -33.68000 25.74800 -1.60700 1.000 H102 H -34.89900 24.44900 -1.83200 1.000 H103 H -33.27700 24.05400 -1.16900 1.000