# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CCH' 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 -5.68200 57.05300 20.85200 1.000 N1 N -6.31600 56.25200 22.46200 1.000 N2 N -6.67300 58.63400 21.53500 1.000 N3 N -4.99000 57.85800 19.29100 1.000 N4 N -4.53500 55.38600 20.40400 1.000 C5 C -6.12200 54.90400 22.77200 1.000 C6 C -5.37100 53.93600 22.13900 1.000 C7 C -4.68100 54.14200 20.97600 1.000 C8 C -7.40700 58.90300 22.64900 1.000 C9 C -7.54100 58.05600 23.72000 1.000 C10 C -7.08100 56.76800 23.50100 1.000 C11 C -5.10600 59.22000 19.02600 1.000 C12 C -5.94200 60.10000 19.67900 1.000 C13 C -6.77500 59.74100 20.71400 1.000 C14 C -3.92800 55.18100 19.19000 1.000 C15 C -3.46600 56.14600 18.34400 1.000 C16 C -3.99500 57.41000 18.45300 1.000 C17 C -6.55600 54.67800 24.12900 1.000 C18 C -6.53800 53.26300 24.74000 1.000 C19 C -7.23400 55.76900 24.51700 1.000 C20 C -8.15300 55.95900 25.73800 1.000 C21 C -5.57700 53.09800 25.93600 1.000 C22 C -5.50300 51.71000 26.53600 1.000 O23 O -6.36000 51.40100 27.42300 1.000 O24 O -4.57400 50.97300 26.10100 1.000 C25 C -7.92400 60.25500 22.56700 1.000 C26 C -8.72200 60.96500 23.67800 1.000 C27 C -7.43400 60.77800 21.44400 1.000 C28 C -7.52800 62.18300 20.85400 1.000 O29 O -8.52800 62.83600 21.07600 1.000 C30 C -4.35600 59.53400 17.83300 1.000 C31 C -4.18600 60.95000 17.23100 1.000 C32 C -3.58000 58.48400 17.59100 1.000 C33 C -2.40100 58.34300 16.63200 1.000 C34 C -2.38100 58.93900 15.45300 1.000 C35 C -3.53800 53.79300 19.07200 1.000 C36 C -2.90800 53.20600 17.79200 1.000 C37 C -4.00400 53.15800 20.14800 1.000 C38 C -4.07700 51.65900 20.43700 1.000 C39 C -3.01200 51.25400 21.45600 1.000 C40 C -3.02300 49.79300 21.80500 1.000 O41 O -2.29500 49.47800 22.79100 1.000 O42 O -3.73300 49.04600 21.08000 1.000 H43 H -5.32500 52.95500 22.58900 1.000 H44 H -7.97100 58.36900 24.66000 1.000 H45 H -5.94300 61.13200 19.36000 1.000 H46 H -2.70600 55.92300 17.60900 1.000 H47 H -7.55600 53.02200 25.08100 1.000 H48 H -6.23600 52.55300 23.95600 1.000 H49 H -8.10700 55.06400 26.37500 1.000 H50 H -7.82100 56.83600 26.31300 1.000 H51 H -9.18800 56.11400 25.39800 1.000 H52 H -4.56700 53.37400 25.59800 1.000 H53 H -5.90100 53.79100 26.72700 1.000 H54 H -6.20100 50.51400 27.72200 1.000 H55 H -8.98800 61.98000 23.34800 1.000 H56 H -9.64000 60.39700 23.89000 1.000 H57 H -8.10800 61.02500 24.58900 1.000 H58 H -6.72500 62.58600 20.25400 1.000 H59 H -3.40300 61.49200 17.78200 1.000 H60 H -3.89900 60.86600 16.17300 1.000 H61 H -5.13600 61.49900 17.31100 1.000 H62 H -1.55700 57.73700 16.92600 1.000 H63 H -1.52900 58.81600 14.80000 1.000 H64 H -3.21600 59.54900 15.14200 1.000 H65 H -2.69900 52.13700 17.94300 1.000 H66 H -3.60600 53.32800 16.95100 1.000 H67 H -1.97000 53.73500 17.56900 1.000 H68 H -5.07200 51.41600 20.83800 1.000 H69 H -3.91300 51.10200 19.50200 1.000 H70 H -2.02400 51.50300 21.04100 1.000 H71 H -3.17800 51.83100 22.37800 1.000 H72 H -2.34700 48.54100 22.93700 1.000