# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9TU' 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 -2.88600 1.80800 -0.10000 1.000 C1 C 0.71800 1.55400 0.52900 1.000 C2 C 4.09400 0.12900 -0.10200 1.000 C3 C 7.88800 -0.35400 0.33800 1.000 C4 C 8.84300 -1.35000 -0.27000 1.000 C5 C -4.46100 2.16100 -1.86900 1.000 N6 N -7.13700 -0.31500 0.66300 1.000 N7 N -6.38100 -0.42000 1.64000 1.000 C8 C -5.74200 -0.62200 0.33700 1.000 C9 C -5.38700 -2.04700 -0.09200 1.000 F10 F -6.19500 -2.95700 0.59900 1.000 F11 F -5.59900 -2.18600 -1.46800 1.000 F12 F -4.04300 -2.30100 0.20100 1.000 C13 C -4.87300 0.47700 -0.21800 1.000 C14 C -3.68400 0.80000 0.40900 1.000 C15 C -1.59000 2.16100 0.58300 1.000 O16 O -0.51500 1.36000 0.02400 1.000 O17 O 0.89100 2.37100 1.41200 1.000 N18 N 1.76000 0.84300 0.05500 1.000 C19 C 3.10200 1.05500 0.60400 1.000 C20 C 5.49500 0.35000 0.47100 1.000 C21 C 6.48700 -0.57500 -0.23600 1.000 N22 N 8.33700 1.00900 0.02400 1.000 O23 O 8.88700 -2.60800 0.19600 1.000 O24 O 9.56800 -1.01500 -1.17600 1.000 C25 C -3.27400 2.48900 -1.23900 1.000 C26 C -5.25800 1.15400 -1.36000 1.000 H27 H 3.79700 -0.90800 0.05300 1.000 H28 H 4.09900 0.35000 -1.17000 1.000 H29 H 7.86300 -0.48900 1.41900 1.000 H30 H -4.76200 2.69000 -2.76100 1.000 H31 H -3.37800 0.26600 1.29600 1.000 H32 H -1.37300 3.21800 0.42800 1.000 H33 H -1.67600 1.96000 1.65100 1.000 H34 H 1.62200 0.19100 -0.65000 1.000 H35 H 3.09600 0.83400 1.67200 1.000 H36 H 3.39800 2.09200 0.44900 1.000 H37 H 5.79200 1.38700 0.31600 1.000 H38 H 5.48900 0.13000 1.53900 1.000 H39 H 6.49300 -0.35500 -1.30300 1.000 H40 H 6.19000 -1.61300 -0.08100 1.000 H41 H 8.36800 1.15800 -0.97400 1.000 H42 H 7.75000 1.69500 0.47400 1.000 H43 H 9.51500 -3.21000 -0.22600 1.000 H44 H -2.65100 3.27600 -1.63700 1.000 H45 H -6.18500 0.89800 -1.85200 1.000