# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'HEM' 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 -2.16100 -0.12500 0.49000 1.000 C1 C 1.45800 -3.41900 0.30600 1.000 C2 C 4.70100 0.16900 -0.06900 1.000 C3 C 1.07500 3.46000 0.01800 1.000 C4 C -1.43600 -1.30500 0.38000 1.000 C5 C -2.01500 -2.58700 0.32000 1.000 C6 C -1.00900 -3.50000 0.27000 1.000 C7 C 0.21600 -2.80300 0.29800 1.000 C8 C -1.17500 -4.99600 0.19700 1.000 C9 C -3.49000 -2.89300 0.31400 1.000 C10 C -3.99800 -2.92600 -1.12900 1.000 C11 C -5.47300 -3.23200 -1.13600 1.000 O12 O -6.05900 -3.40500 -0.09400 1.000 O13 O -6.13700 -3.31100 -2.30000 1.000 C14 C 2.66400 -2.70700 0.30800 1.000 C15 C 3.93700 -3.32800 0.41800 1.000 C16 C 4.87400 -2.34100 0.31400 1.000 C17 C 4.11700 -1.07900 0.13900 1.000 C18 C 4.20300 -4.79800 0.61300 1.000 C19 C 6.33900 -2.49700 0.36500 1.000 C20 C 6.93500 -3.41900 -0.38500 1.000 C21 C 3.96400 1.34500 -0.17400 1.000 C22 C 4.53100 2.60100 -0.44500 1.000 C23 C 3.51000 3.53600 -0.43700 1.000 C24 C 2.30400 2.84600 -0.13900 1.000 C25 C 5.99100 2.88000 -0.69700 1.000 C26 C 3.64900 4.98100 -0.69200 1.000 C27 C 4.20100 5.40700 -1.82300 1.000 C28 C -0.10200 2.75300 0.29800 1.000 C29 C -1.38200 3.38800 0.64100 1.000 C30 C -2.28300 2.38900 0.77400 1.000 C31 C -1.56100 1.13700 0.51100 1.000 C32 C -1.63900 4.86300 0.81100 1.000 C33 C -3.74100 2.53200 1.12300 1.000 C34 C -4.57300 2.56300 -0.16000 1.000 C35 C -6.03200 2.70600 0.18900 1.000 O36 O -6.37200 2.77600 1.34700 1.000 O37 O -6.95400 2.75500 -0.78500 1.000 N38 N -0.06800 -1.45600 0.32100 1.000 N39 N 2.82000 -1.38600 0.20700 1.000 N40 N 2.60400 1.50600 -0.03300 1.000 N41 N -0.27600 1.43100 0.29800 1.000 Fe42 Fe 1.01000 0.15700 -0.06000 1.000 H43 H 1.49800 -4.50800 0.30900 1.000 H44 H 5.78600 0.22900 -0.15300 1.000 H45 H 1.01800 4.54300 -0.08300 1.000 H46 H -1.22000 -5.30600 -0.84700 1.000 H47 H -0.32800 -5.48000 0.68300 1.000 H48 H -2.09700 -5.28500 0.70200 1.000 H49 H -3.66200 -3.86200 0.78200 1.000 H50 H -4.02400 -2.12100 0.86900 1.000 H51 H -3.82500 -1.95600 -1.59700 1.000 H52 H -3.46400 -3.69700 -1.68400 1.000 H53 H 3.25600 -5.33600 0.66000 1.000 H54 H 4.79400 -5.17500 -0.22200 1.000 H55 H 4.75200 -4.94800 1.54300 1.000 H56 H 6.92700 -1.86300 1.01100 1.000 H57 H 7.99400 -3.60000 -0.27700 1.000 H58 H 6.36000 -3.98700 -1.10200 1.000 H59 H 6.55400 1.94900 -0.63900 1.000 H60 H 6.11000 3.31600 -1.68900 1.000 H61 H 6.36200 3.57800 0.05300 1.000 H62 H 3.30300 5.69400 0.04200 1.000 H63 H 4.61400 4.69600 -2.52300 1.000 H64 H 4.23500 6.46400 -2.04300 1.000 H65 H -0.71500 5.41500 0.63900 1.000 H66 H -2.39400 5.18500 0.09400 1.000 H67 H -1.99400 5.05500 1.82400 1.000 H68 H -4.05200 1.68700 1.73800 1.000 H69 H -3.89300 3.45900 1.67700 1.000 H70 H -4.26200 3.40800 -0.77500 1.000 H71 H -4.42100 1.63600 -0.71400 1.000 H72 H -7.08200 -3.51000 -2.25400 1.000 H73 H -7.87700 2.84700 -0.51200 1.000 H74 H -3.24600 -0.18800 0.56700 1.000