# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '912' 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 -7.30400 -0.41200 0.81300 1.000 C1 C -8.02100 -1.75200 0.98600 1.000 C2 C -7.98800 -2.52300 -0.33500 1.000 C3 C -8.69000 -1.70500 -1.42100 1.000 O4 O -8.65900 -3.77400 -0.17300 1.000 C5 C -6.53500 -2.77200 -0.74300 1.000 C6 C -5.81700 -1.43200 -0.91700 1.000 C7 C -5.85000 -0.66100 0.40400 1.000 N8 N -5.16300 0.62200 0.23800 1.000 C9 C -3.82500 0.69300 0.37900 1.000 O10 O -3.18800 -0.30800 0.64500 1.000 C11 C -3.13100 1.98800 0.21200 1.000 C12 C -1.74600 2.06400 0.35800 1.000 C13 C -3.85900 3.13800 -0.09900 1.000 C14 C -3.21000 4.34500 -0.25500 1.000 C15 C -1.83800 4.42200 -0.10500 1.000 C16 C -1.10200 3.28200 0.19900 1.000 N17 N 0.28600 3.36400 0.34500 1.000 C18 C 1.07100 2.25500 0.10400 1.000 S19 S 2.75200 2.17000 0.40000 1.000 N20 N 0.63300 1.12500 -0.37400 1.000 C21 C 1.50800 0.16700 -0.54400 1.000 C22 C 2.78300 0.50700 -0.18200 1.000 C23 C 3.95900 -0.35800 -0.25900 1.000 O24 O 3.85300 -1.49500 -0.68100 1.000 N25 N 5.16200 0.10400 0.13800 1.000 C26 C 6.30600 -0.67900 -0.04300 1.000 C27 C 6.33200 -1.99200 0.41400 1.000 Cl28 Cl 4.94300 -2.66200 1.21100 1.000 C29 C 7.46500 -2.76200 0.23300 1.000 C30 C 8.57100 -2.22900 -0.40300 1.000 C31 C 8.54900 -0.92400 -0.85800 1.000 C32 C 7.41800 -0.14900 -0.68600 1.000 C33 C 7.39200 1.27100 -1.18900 1.000 H34 H -7.80400 0.17100 0.03900 1.000 H35 H -7.32700 0.13800 1.75400 1.000 H36 H -7.52100 -2.33400 1.76000 1.000 H37 H -9.05700 -1.57400 1.27700 1.000 H38 H -8.17900 -0.75000 -1.54400 1.000 H39 H -8.66700 -2.25400 -2.36200 1.000 H40 H -9.72600 -1.52700 -1.12900 1.000 H41 H -8.67600 -4.31700 -0.97300 1.000 H42 H -6.03500 -3.35500 0.03000 1.000 H43 H -6.51100 -3.32100 -1.68500 1.000 H44 H -4.78200 -1.60900 -1.20800 1.000 H45 H -6.31700 -0.84900 -1.69100 1.000 H46 H -5.35000 -1.24300 1.17800 1.000 H47 H -5.67100 1.42100 0.02600 1.000 H48 H -1.17700 1.17700 0.59400 1.000 H49 H -4.93100 3.08200 -0.21700 1.000 H50 H -3.77500 5.23300 -0.49500 1.000 H51 H -1.33500 5.36900 -0.22900 1.000 H52 H 1.24700 -0.80500 -0.93400 1.000 H53 H 5.23400 0.98000 0.54900 1.000 H54 H 7.48600 -3.78200 0.58800 1.000 H55 H 9.45500 -2.83300 -0.54300 1.000 H56 H 9.41500 -0.51000 -1.35300 1.000 H57 H 7.75300 1.94000 -0.40700 1.000 H58 H 8.03400 1.35800 -2.06500 1.000 H59 H 6.37200 1.54300 -1.45800 1.000 H60 H 0.69700 4.20000 0.61500 1.000