# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CT2' 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 4.66200 -3.43700 -0.56000 1.000 C1 C 4.92700 -1.93300 -0.65800 1.000 C2 C 3.75300 -1.16700 -0.04500 1.000 C3 C 4.01800 0.33600 -0.14300 1.000 C4 C 2.84400 1.10200 0.47000 1.000 N5 N 1.63800 0.86800 -0.32800 1.000 C6 C 0.42100 0.99100 0.23800 1.000 O7 O 0.32400 1.29500 1.41000 1.000 O8 O -0.68700 0.77600 -0.49600 1.000 C9 C -1.99800 1.01700 0.08100 1.000 C10 C -2.26100 0.04500 1.23300 1.000 C11 C -2.29700 -1.36500 0.70200 1.000 C12 C -3.50000 -1.92800 0.31600 1.000 C13 C -3.53200 -3.21900 -0.17500 1.000 C14 C -2.36400 -3.95200 -0.27100 1.000 C15 C -1.16200 -3.39100 0.12000 1.000 C16 C -1.12900 -2.09800 0.60700 1.000 C17 C -2.11300 2.47600 0.56900 1.000 C18 C -2.77400 3.27000 -0.57200 1.000 C19 C -3.03800 2.26500 -1.71300 1.000 C20 C -3.09800 0.89000 -1.00200 1.000 C21 C 3.15900 2.57600 0.48600 1.000 O22 O 2.44900 3.35100 -0.10900 1.000 H23 H 5.49900 -3.98300 -0.99700 1.000 H24 H 4.55200 -3.71900 0.48700 1.000 H25 H 3.74700 -3.68100 -1.10100 1.000 H26 H 5.84200 -1.69000 -0.11800 1.000 H27 H 5.03800 -1.65100 -1.70500 1.000 H28 H 2.83900 -1.41100 -0.58500 1.000 H29 H 3.64300 -1.44900 1.00200 1.000 H30 H 4.93300 0.58000 0.39800 1.000 H31 H 4.12900 0.61800 -1.19000 1.000 H32 H 2.67700 0.75600 1.49000 1.000 H33 H 1.71600 0.62500 -1.26400 1.000 H34 H -1.46600 0.13400 1.97300 1.000 H35 H -3.21800 0.28300 1.69700 1.000 H36 H -4.41200 -1.35500 0.39100 1.000 H37 H -4.47100 -3.65700 -0.48100 1.000 H38 H -2.38900 -4.96200 -0.65200 1.000 H39 H -0.24900 -3.96300 0.04500 1.000 H40 H -0.19000 -1.66000 0.91200 1.000 H41 H -2.73200 2.52300 1.46400 1.000 H42 H -1.12200 2.87900 0.77800 1.000 H43 H -3.71500 3.70100 -0.23000 1.000 H44 H -2.10400 4.05800 -0.91600 1.000 H45 H -3.98700 2.48400 -2.20100 1.000 H46 H -2.22200 2.28600 -2.43500 1.000 H47 H -2.86400 0.08500 -1.69800 1.000 H48 H -4.07500 0.73500 -0.54400 1.000 H49 H 4.01900 2.93900 1.02800 1.000