# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CTF' 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 3.16800 -0.01100 0.64200 1.000 O1 O 4.94700 -0.37000 -1.25300 1.000 O2 O 6.74800 0.10700 0.41400 1.000 C3 C 2.58900 -1.20300 0.21600 1.000 C4 C 1.26200 -1.21500 -0.17200 1.000 C5 C 0.50500 -0.05200 -0.14100 1.000 S6 S 5.44300 0.31400 -0.11000 1.000 N7 N 5.32500 1.93100 -0.44500 1.000 O8 O 4.47300 0.01700 1.02400 1.000 C9 C 1.07500 1.12800 0.28800 1.000 C10 C 2.41100 1.14600 0.67000 1.000 O11 O 3.32300 -2.34700 0.18300 1.000 C12 C 2.66000 -3.53000 -0.26600 1.000 C13 C -0.92400 -0.12300 -0.59600 1.000 C14 C -1.71800 1.05700 -0.02100 1.000 C15 C -0.99700 2.34600 -0.41600 1.000 C16 C 0.31000 2.42300 0.37300 1.000 C17 C -1.56700 -1.45400 -0.23400 1.000 C18 C -3.03400 -1.49500 -0.70100 1.000 C19 C -3.75100 -0.32200 -0.06600 1.000 C20 C -3.11100 0.98500 -0.61100 1.000 C21 C -3.58300 -0.38000 1.45400 1.000 C22 C -5.22900 -0.15500 -0.39900 1.000 C23 C -5.48300 1.37300 -0.37900 1.000 C24 C -4.10500 2.04200 -0.11900 1.000 C25 C -6.09200 -0.84900 0.65700 1.000 C26 C -7.50700 -0.78100 0.25700 1.000 N27 N -8.59900 -0.72900 -0.05200 1.000 H28 H 0.81000 -2.13900 -0.50400 1.000 H29 H 4.71100 2.48700 0.05900 1.000 H30 H 5.87000 2.32200 -1.14600 1.000 H31 H 2.86100 2.07100 1.00000 1.000 H32 H 1.81600 -3.74400 0.38900 1.000 H33 H 2.30200 -3.38200 -1.28500 1.000 H34 H 3.35800 -4.36800 -0.24500 1.000 H35 H -0.93700 -0.03900 -1.68300 1.000 H36 H -1.76000 0.97800 1.06600 1.000 H37 H -0.78100 2.33400 -1.48400 1.000 H38 H -1.62300 3.20600 -0.17600 1.000 H39 H 0.08400 2.63600 1.41800 1.000 H40 H 0.92300 3.22800 -0.03000 1.000 H41 H -1.01500 -2.26200 -0.71500 1.000 H42 H -1.53000 -1.58900 0.84700 1.000 H43 H -3.07900 -1.41100 -1.78700 1.000 H44 H -3.49800 -2.42800 -0.38200 1.000 H45 H -3.06200 0.96400 -1.70000 1.000 H46 H -2.52200 -0.40800 1.70100 1.000 H47 H -4.03700 0.50300 1.90300 1.000 H48 H -4.07000 -1.27500 1.83900 1.000 H49 H -5.44200 -0.56100 -1.38800 1.000 H50 H -5.88100 1.69800 -1.34000 1.000 H51 H -6.17900 1.62700 0.42000 1.000 H52 H -3.96600 2.23700 0.94400 1.000 H53 H -4.00800 2.96200 -0.69700 1.000 H54 H -5.78900 -1.89300 0.74500 1.000 H55 H -5.96200 -0.35100 1.61800 1.000