# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CM1' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Fe0 Fe 0.52700 1.86600 0.40900 1.000 O1 O 0.18200 2.13900 2.14300 1.000 C2 C -1.15700 2.05700 2.32600 1.000 C3 C -1.95500 3.16700 2.08000 1.000 C4 C -3.31600 3.10800 2.30300 1.000 C5 C -3.89800 1.94400 2.77800 1.000 C6 C -3.12300 0.83200 3.02100 1.000 C7 C -1.74700 0.87200 2.78400 1.000 C8 C -0.92700 -0.33200 3.02600 1.000 N9 N 0.30800 -0.44000 2.64200 1.000 C10 C 0.77400 -1.80800 2.95700 1.000 C11 C -0.57300 -2.54500 3.18900 1.000 O12 O -1.40300 -1.44600 3.62600 1.000 C13 C 1.46700 -2.39300 1.74500 1.000 O14 O 1.82200 -1.64600 0.86000 1.000 N15 N 1.66200 -3.71600 1.65500 1.000 C16 C 2.10400 -4.37700 0.43200 1.000 C17 C 3.54100 -4.08200 0.13200 1.000 O18 O 4.33500 -5.00200 0.18000 1.000 O19 O 3.98900 -2.86100 -0.17300 1.000 C20 C 5.40800 -2.60000 -0.30900 1.000 C21 C 5.93600 -3.17500 -1.62600 1.000 C22 C 5.68200 -1.09800 -0.25600 1.000 C23 C 4.50600 -0.30800 -0.83100 1.000 O24 O 3.99100 -0.98000 -1.98600 1.000 N25 N 4.93800 1.02500 -1.22400 1.000 C26 C 5.14600 1.88800 -0.08600 1.000 C27 C 5.92000 3.15100 -0.50000 1.000 C28 C 5.44100 3.68300 -1.82700 1.000 C29 C 4.00800 4.14900 -1.93700 1.000 C30 C 3.01900 3.00600 -1.69200 1.000 N31 N 2.86300 2.84600 -0.23100 1.000 O32 O 1.64600 3.25900 0.36600 1.000 C33 C 3.82600 2.35000 0.52400 1.000 O34 O 3.66800 2.26100 1.72500 1.000 C35 C 1.17400 -4.06200 -0.72900 1.000 C36 C 1.71700 -2.96300 -1.63600 1.000 C37 C 0.55900 -2.31500 -2.40100 1.000 C38 C 0.77600 -0.80100 -2.47700 1.000 N39 N 0.50000 -0.18400 -1.19900 1.000 O40 O 1.20200 1.11300 -1.08300 1.000 C41 C -0.90500 0.24900 -1.07700 1.000 O42 O -0.96000 0.87700 0.21800 1.000 C43 C -1.23000 1.28200 -2.12100 1.000 C44 C -2.34400 1.19400 -2.80400 1.000 C45 C -3.36700 0.14600 -2.44700 1.000 C46 C -4.72800 0.81300 -2.23800 1.000 C47 C -5.76700 -0.25000 -1.87500 1.000 C48 C -7.12800 0.41700 -1.66700 1.000 C49 C -8.16600 -0.64600 -1.30400 1.000 C50 C -9.52700 0.02100 -1.09500 1.000 C51 C -10.55000 -1.02600 -0.73700 1.000 O52 O -11.82400 -0.67000 -0.50800 1.000 O53 O -10.22400 -2.18700 -0.65800 1.000 H54 H -1.50900 4.07900 1.71400 1.000 H55 H -3.93200 3.97200 2.10300 1.000 H56 H -4.96300 1.90800 2.95600 1.000 H57 H -3.57900 -0.07300 3.39500 1.000 H58 H 1.40700 -1.83400 3.83100 1.000 H59 H -0.95000 -2.98000 2.26500 1.000 H60 H -0.47800 -3.29900 3.97000 1.000 H61 H 1.50400 -4.26400 2.44900 1.000 H62 H 2.03100 -5.47100 0.61800 1.000 H63 H 5.93700 -3.08400 0.52000 1.000 H64 H 7.00500 -2.98100 -1.70500 1.000 H65 H 5.75900 -4.25100 -1.65000 1.000 H66 H 5.41900 -2.70400 -2.46200 1.000 H67 H 5.84000 -0.80000 0.78400 1.000 H68 H 6.58300 -0.87300 -0.82800 1.000 H69 H 3.71600 -0.24000 -0.07900 1.000 H70 H 4.67700 -0.93300 -2.66600 1.000 H71 H 5.62500 1.04800 -1.91000 1.000 H72 H 5.71900 1.37500 0.69300 1.000 H73 H 5.78700 3.91400 0.26600 1.000 H74 H 6.98000 2.90200 -0.57500 1.000 H75 H 6.08700 4.52100 -2.10500 1.000 H76 H 5.59600 2.90300 -2.57900 1.000 H77 H 3.83000 4.93600 -1.20400 1.000 H78 H 3.84000 4.55200 -2.93700 1.000 H79 H 2.05300 3.26400 -2.13000 1.000 H80 H 3.38800 2.08700 -2.13600 1.000 H81 H 0.19900 -3.75400 -0.33800 1.000 H82 H 1.02400 -4.96900 -1.32600 1.000 H83 H 2.41900 -3.39300 -2.35200 1.000 H84 H 2.22000 -2.20100 -1.04600 1.000 H85 H -0.37800 -2.52000 -1.88200 1.000 H86 H 0.51500 -2.72700 -3.40900 1.000 H87 H 0.16200 -0.38500 -3.25400 1.000 H88 H 1.82500 -0.60500 -2.70000 1.000 H89 H -1.55800 -0.60400 -1.13100 1.000 H90 H -0.54500 2.09600 -2.30600 1.000 H91 H -2.52900 1.87200 -3.62400 1.000 H92 H -3.43900 -0.58200 -3.25500 1.000 H93 H -3.06500 -0.35800 -1.52900 1.000 H94 H -4.65600 1.54200 -1.43000 1.000 H95 H -5.03000 1.31800 -3.15600 1.000 H96 H -5.83900 -0.97800 -2.68300 1.000 H97 H -5.46500 -0.75400 -0.95700 1.000 H98 H -7.05600 1.14500 -0.85900 1.000 H99 H -7.43000 0.92200 -2.58400 1.000 H100 H -8.23900 -1.37400 -2.11100 1.000 H101 H -7.86400 -1.15000 -0.38600 1.000 H102 H -9.45500 0.74900 -0.28700 1.000 H103 H -9.82900 0.52500 -2.01300 1.000 H104 H -12.48000 -1.34200 -0.27800 1.000