# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9TB' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy O0 O 7.86500 1.09900 -3.01100 1.000 C1 C 7.19900 1.68800 -2.00600 1.000 O2 O 7.30000 2.87900 -1.83000 1.000 C3 C 6.32500 0.86300 -1.09600 1.000 C4 C 5.68600 1.77000 -0.04300 1.000 C5 C 4.79900 0.93300 0.88100 1.000 C6 C 4.26700 1.80300 1.99000 1.000 O7 O 5.11700 2.41800 2.82700 1.000 O8 O 3.07500 1.94600 2.12700 1.000 N9 N 3.67900 0.38000 0.11400 1.000 C10 C 3.06900 -0.74700 0.53000 1.000 O11 O 3.44700 -1.30500 1.54100 1.000 N12 N 2.03900 -1.25500 -0.17600 1.000 C13 C 1.37500 -2.48000 0.27600 1.000 C14 C 2.13000 -3.67900 -0.23700 1.000 O15 O 1.70200 -4.91700 0.05500 1.000 O16 O 3.12100 -3.52600 -0.91100 1.000 C17 C -0.05800 -2.51200 -0.26000 1.000 C18 C -0.85900 -1.36500 0.35900 1.000 C19 C -2.29200 -1.39600 -0.17700 1.000 C20 C -3.08200 -0.26700 0.43300 1.000 O21 O -2.55100 0.48900 1.21900 1.000 N22 N -4.37800 -0.09700 0.10500 1.000 C23 C -5.14500 1.00100 0.69800 1.000 C24 C -6.55600 0.97000 0.17000 1.000 C25 C -6.87900 1.66600 -0.98100 1.000 C26 C -8.17200 1.63800 -1.46600 1.000 C27 C -9.14600 0.91300 -0.80000 1.000 F28 F -10.41000 0.88500 -1.27300 1.000 C29 C -8.82100 0.21600 0.35200 1.000 C30 C -7.52600 0.24200 0.83300 1.000 H31 H 8.41300 1.66900 -3.56800 1.000 H32 H 5.54300 0.38000 -1.68300 1.000 H33 H 6.93000 0.10300 -0.60200 1.000 H34 H 6.46700 2.25300 0.54400 1.000 H35 H 5.08000 2.53000 -0.53700 1.000 H36 H 5.38400 0.11800 1.30700 1.000 H37 H 4.72800 2.96500 3.52400 1.000 H38 H 3.37800 0.82600 -0.69300 1.000 H39 H 1.73700 -0.80900 -0.98300 1.000 H40 H 1.35600 -2.50200 1.36600 1.000 H41 H 2.21900 -5.65500 -0.29600 1.000 H42 H -0.04200 -2.40000 -1.34400 1.000 H43 H -0.52200 -3.46200 0.00100 1.000 H44 H -0.87500 -1.47600 1.44400 1.000 H45 H -0.39400 -0.41400 0.09800 1.000 H46 H -2.27700 -1.28500 -1.26100 1.000 H47 H -2.75700 -2.34700 0.08400 1.000 H48 H -4.80200 -0.70100 -0.52400 1.000 H49 H -5.16000 0.89000 1.78200 1.000 H50 H -4.68000 1.95200 0.43700 1.000 H51 H -6.11900 2.23100 -1.50000 1.000 H52 H -8.42400 2.18200 -2.36400 1.000 H53 H -9.58000 -0.35000 0.87300 1.000 H54 H -7.27200 -0.30500 1.72900 1.000