# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'FTH' 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 3.92600 -1.27500 -1.70800 1.000 N1 N 3.45000 -0.43400 -2.81000 1.000 C2 C 3.89300 -0.45800 -4.08500 1.000 N3 N 3.23200 0.43100 -4.77400 1.000 C4 C 2.35300 1.04800 -3.97200 1.000 C5 C 2.46900 0.51700 -2.74000 1.000 C6 C 1.67800 0.90300 -1.51600 1.000 C7 C 0.41300 0.04600 -1.43500 1.000 N8 N -0.42700 0.30000 -2.61200 1.000 C9 C -0.01200 -0.66000 -3.64300 1.000 C10 C -0.83900 -0.45300 -4.88500 1.000 C11 C -0.40800 0.42800 -5.86100 1.000 C12 C -1.16100 0.62300 -7.00000 1.000 C13 C -2.36000 -0.07200 -7.16800 1.000 C14 C -3.14700 0.12400 -8.34800 1.000 N15 N -3.77100 0.28100 -9.28500 1.000 C16 C -2.78900 -0.96100 -6.18000 1.000 C17 C -2.02400 -1.14900 -5.04800 1.000 C18 C -0.35100 0.39700 -0.18500 1.000 O19 O -1.23500 1.22700 -0.22900 1.000 N20 N -0.05400 -0.21000 0.98000 1.000 C21 C 1.08700 -1.13300 1.09100 1.000 C22 C 2.08500 -0.53700 2.08500 1.000 C23 C 1.37300 -0.05000 3.31300 1.000 C24 C 0.06300 0.21400 3.36200 1.000 C25 C -0.85300 0.02800 2.19000 1.000 C26 C -0.50200 0.71400 4.62100 1.000 C27 C -0.56200 2.08000 4.88000 1.000 C28 C -1.09800 2.54800 6.07100 1.000 C29 C -1.58100 1.70300 7.02300 1.000 C30 C -1.55300 0.31200 6.82900 1.000 C31 C -2.04800 -0.57100 7.80400 1.000 C32 C -2.00300 -1.91300 7.58000 1.000 C33 C -1.47300 -2.42600 6.39800 1.000 C34 C -0.98400 -1.59700 5.43200 1.000 C35 C -1.02100 -0.21200 5.62600 1.000 C36 C 2.14400 0.14400 4.50400 1.000 N37 N 2.75500 0.29800 5.44900 1.000 H38 H 4.75300 -0.77600 -1.20200 1.000 H39 H 3.11400 -1.44100 -1.00100 1.000 H40 H 4.26600 -2.23200 -2.10300 1.000 H41 H 4.66600 -1.10600 -4.47100 1.000 H42 H 1.66800 1.83100 -4.26300 1.000 H43 H 2.28500 0.74200 -0.62500 1.000 H44 H 1.40000 1.95500 -1.58100 1.000 H45 H 0.69000 -1.00700 -1.40700 1.000 H46 H -1.37100 0.05700 -2.35200 1.000 H47 H 1.04100 -0.50800 -3.87900 1.000 H48 H -0.15800 -1.67500 -3.27400 1.000 H49 H 0.51800 0.96600 -5.72900 1.000 H50 H -0.82400 1.31200 -7.76100 1.000 H51 H -3.71500 -1.50200 -6.30400 1.000 H52 H -2.35400 -1.83600 -4.28300 1.000 H53 H 0.74200 -2.10200 1.45100 1.000 H54 H 1.56200 -1.24900 0.11700 1.000 H55 H 2.81100 -1.29900 2.36900 1.000 H56 H 2.60700 0.29600 1.61600 1.000 H57 H -1.46100 0.92300 2.05700 1.000 H58 H -1.50000 -0.83000 2.36600 1.000 H59 H -0.18900 2.78100 4.14900 1.000 H60 H -1.13200 3.61300 6.24800 1.000 H61 H -1.99100 2.10700 7.93800 1.000 H62 H -2.46100 -0.18800 8.72500 1.000 H63 H -2.38300 -2.59100 8.33000 1.000 H64 H -1.44900 -3.49500 6.24500 1.000 H65 H -0.57600 -2.00700 4.52100 1.000