# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9HS' 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 -5.15000 1.96200 -0.53200 1.000 C1 C -2.41400 -0.06200 -1.69200 1.000 N2 N -3.21900 0.94500 -1.53600 1.000 C3 C -3.59900 -1.43900 -0.19200 1.000 N4 N 2.24800 -1.80500 0.44100 1.000 C5 C 0.60500 -3.27400 -0.60600 1.000 C6 C -5.60300 -0.40100 0.89200 1.000 C7 C -6.22100 1.85300 0.32900 1.000 N8 N -2.56500 -1.24600 -1.04400 1.000 C9 C -0.45500 -2.22000 -0.28000 1.000 O10 O -0.95100 -2.43500 1.04300 1.000 C11 C -1.60800 -2.33000 -1.28000 1.000 C12 C 1.74100 -3.18400 0.41800 1.000 C13 C 3.56000 -1.55300 0.26200 1.000 C14 C 4.06500 -0.13300 0.28800 1.000 C15 C 5.57800 -0.12600 0.06200 1.000 C16 C 6.27200 -0.82400 1.23300 1.000 C17 C 6.06500 1.29700 -0.03500 1.000 C18 C 6.69400 1.73500 -1.18500 1.000 C19 C 7.14100 3.04100 -1.27300 1.000 C20 C 6.95800 3.90700 -0.21200 1.000 C21 C 6.32800 3.46900 0.93800 1.000 C22 C 5.87700 2.16500 1.02400 1.000 C23 C 1.29700 -0.70600 0.65600 1.000 C24 C 0.16600 -0.82400 -0.37100 1.000 C25 C -4.52200 -0.31400 0.01800 1.000 C26 C -6.44700 0.67800 1.03700 1.000 C27 C -4.28500 0.88000 -0.70000 1.000 O28 O -3.74700 -2.49500 0.39400 1.000 O29 O 4.33400 -2.46900 0.08000 1.000 Cl30 Cl -7.30000 3.19800 0.53200 1.000 H31 H -4.98400 2.88000 -1.07700 1.000 H32 H -1.58200 0.04800 -2.37200 1.000 H33 H 0.15600 -4.26700 -0.56400 1.000 H34 H 1.00000 -3.09600 -1.60500 1.000 H35 H -5.78700 -1.31200 1.44100 1.000 H36 H -1.62800 -1.80200 1.31700 1.000 H37 H -2.10800 -3.29000 -1.15400 1.000 H38 H -1.21700 -2.25500 -2.29500 1.000 H39 H 2.54400 -3.86400 0.13400 1.000 H40 H 1.36500 -3.45100 1.40600 1.000 H41 H 3.57700 0.44000 -0.50000 1.000 H42 H 3.84000 0.31500 1.25600 1.000 H43 H 5.80900 -0.65300 -0.86400 1.000 H44 H 6.04100 -0.29800 2.15900 1.000 H45 H 5.92000 -1.85400 1.30300 1.000 H46 H 7.35000 -0.81900 1.07200 1.000 H47 H 6.83700 1.05800 -2.01400 1.000 H48 H 7.63300 3.38300 -2.17200 1.000 H49 H 7.30700 4.92700 -0.28100 1.000 H50 H 6.18600 4.14600 1.76700 1.000 H51 H 5.38500 1.82200 1.92300 1.000 H52 H 0.88500 -0.77100 1.66300 1.000 H53 H 1.80800 0.24900 0.52900 1.000 H54 H 0.56700 -0.66900 -1.37200 1.000 H55 H -0.59500 -0.07300 -0.16200 1.000 H56 H -7.29200 0.61100 1.70700 1.000