# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CLN' 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 -0.70400 -0.04800 -0.04400 1.000 C1 C 2.65000 0.46100 -0.30400 1.000 C2 C -0.29800 -3.24800 -1.07300 1.000 C3 C -4.02100 -0.59900 0.50300 1.000 C4 C -1.17300 3.27300 0.59100 1.000 N5 N 0.90100 -1.19600 -0.59800 1.000 C6 C 2.21100 -0.82100 -0.62500 1.000 C7 C 2.99200 -1.88200 -1.03900 1.000 C8 C 2.15500 -2.93600 -1.25100 1.000 C9 C 0.87700 -2.50100 -0.99100 1.000 C10 C 2.57000 -4.31300 -1.70600 1.000 C11 C 4.49100 -1.87600 -1.20600 1.000 C12 C 5.26500 -2.18600 0.07300 1.000 C13 C 6.78200 -2.13900 -0.07800 1.000 O14 O 7.34400 -1.02600 -0.00300 1.000 O15 O 7.38600 -3.21600 -0.27000 1.000 N16 N -1.95300 -1.67700 -0.25800 1.000 C17 C -1.60300 -2.91400 -0.70500 1.000 C18 C -2.71200 -3.76000 -0.70300 1.000 C19 C -3.82900 -3.02200 -0.25700 1.000 C20 C -3.31900 -1.75300 0.01800 1.000 C21 C -2.75300 -5.20500 -1.12600 1.000 C22 C -5.20700 -3.59300 -0.12900 1.000 C23 C -6.38100 -3.10900 0.20500 1.000 N24 N -2.31100 1.12200 0.44800 1.000 C25 C -3.59100 0.70300 0.68700 1.000 C26 C -4.50800 1.81700 1.19900 1.000 C27 C -3.67700 3.07300 0.81800 1.000 C28 C -2.29400 2.47600 0.61600 1.000 C29 C -4.84700 1.67300 2.66700 1.000 C30 C -4.22000 3.60900 -0.48100 1.000 C31 C -5.46100 3.14900 -0.77600 1.000 S32 S -6.09700 1.94400 0.27300 1.000 N33 N 0.54400 1.59000 0.10900 1.000 C34 C 0.19000 2.88000 0.38800 1.000 C35 C 1.30800 3.67300 0.45500 1.000 C36 C 2.38300 2.87600 0.19400 1.000 C37 C 1.90200 1.59600 -0.00400 1.000 C38 C 1.35500 5.15200 0.74100 1.000 C39 C 3.82800 3.30600 0.15100 1.000 C40 C 4.56800 3.13900 1.47500 1.000 C41 C 6.08500 3.26500 1.37200 1.000 O42 O 6.60200 4.36600 1.65600 1.000 O43 O 6.73300 2.26100 1.00900 1.000 H44 H 3.58900 0.56800 -0.24800 1.000 H45 H -0.20000 -4.09600 -1.48000 1.000 H46 H -4.91000 -0.76000 0.76600 1.000 H47 H -1.32700 4.19600 0.71100 1.000 H48 H 1.94700 -4.97600 -1.36900 1.000 H49 H 3.45500 -4.52400 -1.36800 1.000 H50 H 2.58000 -4.34500 -2.67600 1.000 H51 H 4.77800 -0.99700 -1.53800 1.000 H52 H 4.75200 -2.52500 -1.89500 1.000 H53 H 5.00900 -3.08300 0.38800 1.000 H54 H 4.99900 -1.54100 0.76800 1.000 H55 H 7.75600 -2.66600 -0.19700 1.000 H56 H -3.31200 -5.71300 -0.51700 1.000 H57 H -1.86200 -5.58700 -1.11200 1.000 H58 H -3.11500 -5.27100 -2.02400 1.000 H59 H -5.28200 -4.51200 -0.32900 1.000 H60 H -7.13000 -3.68100 0.23500 1.000 H61 H -6.48500 -2.19400 0.39900 1.000 H62 H -3.66800 3.76400 1.52000 1.000 H63 H -5.39900 2.41800 2.94800 1.000 H64 H -4.03100 1.66000 3.19100 1.000 H65 H -5.33100 0.84600 2.80700 1.000 H66 H -3.73800 4.20700 -1.03300 1.000 H67 H -5.96100 3.46300 -1.51000 1.000 H68 H 2.14900 5.36700 1.25700 1.000 H69 H 0.57400 5.41800 1.25200 1.000 H70 H 1.37400 5.64500 -0.09600 1.000 H71 H 3.88800 4.24600 -0.12600 1.000 H72 H 4.30000 2.78900 -0.53800 1.000 H73 H 4.35200 2.25400 1.84900 1.000 H74 H 4.23900 3.81700 2.10900 1.000 H75 H 6.43700 0.08700 1.38600 1.000