# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'J6Q' 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 3.78900 -1.60600 -2.11100 1.000 C1 C 2.96700 -1.07000 -0.96700 1.000 C2 C 1.95700 -0.15800 -1.21000 1.000 C3 C 1.45800 -0.08700 1.13100 1.000 C4 C 2.46300 -1.00300 1.37400 1.000 C5 C 3.21900 -1.49500 0.32500 1.000 C6 C 0.28200 2.54200 0.48700 1.000 C7 C 1.55900 3.25600 0.12900 1.000 C8 C -1.23300 0.68600 -0.15200 1.000 C9 C -1.58200 0.35800 1.15200 1.000 C10 C -3.33000 -0.16000 -0.93800 1.000 C11 C -2.08700 0.43700 -1.18600 1.000 C12 C 1.20300 0.33300 -0.16100 1.000 Cl13 Cl 4.48300 -2.64600 0.62900 1.000 C14 C 0.10200 1.32800 -0.42600 1.000 O15 O 2.25500 2.83700 -0.76500 1.000 O16 O 1.92400 4.35800 0.80300 1.000 C17 C -2.80000 -0.22400 1.42300 1.000 C18 C -3.68500 -0.48600 0.38300 1.000 N19 N -4.94000 -1.04100 0.31500 1.000 C20 C -5.73800 -1.54500 1.43500 1.000 N21 N -5.30800 -1.02900 -1.03900 1.000 N22 N -4.35800 -0.51100 -1.73600 1.000 H23 H 3.31700 -2.50400 -2.50900 1.000 H24 H 3.85500 -0.85200 -2.89500 1.000 H25 H 4.79100 -1.84900 -1.75600 1.000 H26 H 1.75800 0.17000 -2.21900 1.000 H27 H 0.86700 0.29600 1.95000 1.000 H28 H 2.65900 -1.33500 2.38300 1.000 H29 H 0.32900 2.21200 1.52500 1.000 H30 H -0.56200 3.22100 0.36000 1.000 H31 H -0.89300 0.56200 1.95900 1.000 H32 H -1.80600 0.70100 -2.19400 1.000 H33 H 0.14400 1.64800 -1.46700 1.000 H34 H 2.75200 4.78100 0.53800 1.000 H35 H -3.06800 -0.47300 2.43900 1.000 H36 H -6.35400 -0.73900 1.83400 1.000 H37 H -6.38000 -2.35500 1.08900 1.000 H38 H -5.07500 -1.91600 2.21600 1.000