# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'H79' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy O0 O 30.30900 3.89200 54.25200 1.000 C1 C 30.33300 3.96500 55.69600 1.000 C2 C 31.71800 4.47000 56.03500 1.000 O3 O 32.63400 4.00500 55.02800 1.000 C4 C 31.30000 5.93800 56.12300 1.000 N5 N 29.88000 6.11600 56.43200 1.000 C6 C 29.21700 4.83100 56.27200 1.000 C7 C 27.96100 4.89700 55.40600 1.000 C8 C 32.07900 6.47800 57.24100 1.000 N9 N 33.07500 5.88800 57.94100 1.000 N10 N 33.37800 6.89200 58.84500 1.000 N11 N 32.58000 8.01400 58.67900 1.000 C12 C 31.75600 7.77400 57.66000 1.000 C13 C 32.84600 9.11500 59.59500 1.000 C14 C 34.25000 9.60900 59.32600 1.000 C15 C 35.06900 9.91800 60.33100 1.000 C16 C 36.45900 10.41800 60.07100 1.000 Fe17 Fe 37.43900 11.92000 60.82200 1.000 C18 C 36.76900 10.31600 61.63100 1.000 C19 C 35.82000 11.86300 59.80400 1.000 C20 C 35.69400 12.64200 61.20900 1.000 C21 C 36.29600 11.67900 62.35000 1.000 C22 C 39.15300 11.10500 60.42400 1.000 C23 C 39.07300 11.87700 61.85300 1.000 C24 C 38.57700 12.10400 59.29500 1.000 C25 C 38.13100 13.49400 59.97800 1.000 C26 C 38.46400 13.35400 61.55300 1.000 H27 H 29.45900 3.57900 53.96400 1.000 H28 H 30.22600 2.95100 56.10900 1.000 H29 H 32.01400 4.10900 57.03100 1.000 H30 H 33.50900 4.31500 55.22800 1.000 H31 H 31.56000 6.45400 55.18700 1.000 H32 H 29.77600 6.43600 57.37400 1.000 H33 H 28.94100 4.43500 57.26000 1.000 H34 H 27.21200 5.53900 55.89300 1.000 H35 H 28.21600 5.31500 54.42100 1.000 H36 H 27.55000 3.88500 55.27900 1.000 H37 H 31.00600 8.43300 57.24900 1.000 H38 H 32.12400 9.92700 59.42400 1.000 H39 H 32.76500 8.76500 60.63500 1.000 H40 H 34.59300 9.71300 58.30700 1.000 H41 H 34.72600 9.80700 61.34900 1.000