# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'C6K' 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 3.20700 0.60300 2.01700 1.000 N1 N 4.00300 0.79000 -0.29200 1.000 C2 C 4.73200 0.15200 -1.39600 1.000 C3 C 6.44400 -1.35700 -0.36800 1.000 C4 C 8.73400 -0.68900 -0.16200 1.000 C5 C 2.70600 1.30700 -0.74800 1.000 C6 C 2.04000 2.09000 0.38700 1.000 C7 C -3.28400 1.02800 0.22100 1.000 C8 C -6.13200 -1.88900 -0.86900 1.000 C9 C -3.30000 -3.37400 1.02800 1.000 O10 O -3.19700 -2.62000 -0.18100 1.000 C11 C -3.65500 -1.34500 -0.15300 1.000 C12 C -2.79800 -0.29200 0.19600 1.000 C13 C -1.39900 -0.56500 0.53300 1.000 O14 O -0.98100 -1.70400 0.51100 1.000 C15 C -0.48000 0.56900 0.90900 1.000 C16 C 0.91400 0.01500 1.21200 1.000 C17 C 1.84800 1.16600 1.59300 1.000 C18 C 3.83900 -0.13600 0.83500 1.000 C19 C 6.14400 -0.14500 -0.96100 1.000 C20 C 7.73900 -1.62900 0.03100 1.000 C21 C 8.43400 0.52300 -0.75500 1.000 C22 C 7.13900 0.79500 -1.15500 1.000 C23 C -4.58300 1.29500 -0.08500 1.000 Cl24 Cl -5.16100 2.93200 -0.04100 1.000 C25 C -5.45500 0.26100 -0.43600 1.000 N26 N -6.78300 0.23100 -0.78600 1.000 C27 C -7.17100 -1.05700 -1.04100 1.000 C28 C -4.98700 -1.06500 -0.47300 1.000 H29 H 3.85900 1.42000 2.32500 1.000 H30 H 3.07200 -0.08800 2.84900 1.000 H31 H 4.23400 -0.77800 -1.67100 1.000 H32 H 4.75000 0.82200 -2.25600 1.000 H33 H 5.66600 -2.09000 -0.21300 1.000 H34 H 9.74600 -0.90100 0.15000 1.000 H35 H 2.85700 1.96600 -1.60300 1.000 H36 H 2.06500 0.47500 -1.03900 1.000 H37 H 2.67400 2.93000 0.67000 1.000 H38 H 1.07100 2.46100 0.05400 1.000 H39 H -2.62200 1.83700 0.49100 1.000 H40 H -6.13800 -2.96100 -0.99900 1.000 H41 H -4.34700 -3.44500 1.32300 1.000 H42 H -2.89900 -4.37400 0.86900 1.000 H43 H -2.73400 -2.87600 1.81600 1.000 H44 H -0.41800 1.27600 0.08100 1.000 H45 H -0.86900 1.07600 1.79100 1.000 H46 H 0.85300 -0.69200 2.03900 1.000 H47 H 1.30400 -0.49100 0.32900 1.000 H48 H 1.41400 1.73000 2.41800 1.000 H49 H 4.81300 -0.52600 1.13000 1.000 H50 H 3.19300 -0.96200 0.53600 1.000 H51 H 7.97400 -2.57600 0.49500 1.000 H52 H 9.21100 1.25800 -0.90600 1.000 H53 H 6.90400 1.74200 -1.61800 1.000 H54 H -7.36100 1.00700 -0.84300 1.000 H55 H -8.16500 -1.35900 -1.33600 1.000