# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9KV' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy N0 N -2.96700 -1.66300 -1.75000 1.000 C1 C -0.56800 -1.58800 -1.15500 1.000 C2 C -0.44700 1.26700 -0.11900 1.000 C3 C -1.62500 0.69900 0.63000 1.000 C4 C -3.79000 -0.02700 -0.48800 1.000 C5 C -4.11500 -1.01700 -1.43400 1.000 C6 C 3.31400 -2.21300 -0.58200 1.000 C7 C 1.37200 2.87500 -0.32600 1.000 C8 C 3.83400 -1.52400 0.51500 1.000 C9 C 4.15000 -3.02800 -1.34700 1.000 C10 C -2.30700 -0.56700 2.67200 1.000 C11 C 2.45900 3.39400 0.61700 1.000 C12 C -6.08700 0.64400 -0.40400 1.000 C13 C 5.48400 -3.14800 -1.01500 1.000 C14 C -1.96700 -1.14500 -1.07200 1.000 C15 C -1.12400 -0.15800 1.79300 1.000 C16 C -4.78300 0.79700 0.02000 1.000 C17 C -5.44200 -1.15800 -1.85200 1.000 C18 C -0.12400 0.64600 2.62600 1.000 C19 C 0.76600 4.04800 -1.10000 1.000 C20 C -6.41300 -0.33000 -1.33700 1.000 C21 C 0.37700 -0.21100 3.79000 1.000 C22 C -1.80600 -1.42500 3.83600 1.000 C23 C 1.86000 4.74100 -1.91600 1.000 C24 C 3.55300 4.08700 -0.19800 1.000 C25 C 2.94700 5.26000 -0.97200 1.000 C26 C -0.80600 -0.62000 4.66900 1.000 N27 N 0.32400 2.21200 0.45400 1.000 N28 N -2.42700 -0.12700 -0.27600 1.000 O29 O -0.19300 0.87400 -1.23800 1.000 C30 C -0.06800 -2.43800 -2.09800 1.000 C31 C 1.27000 -2.70800 -1.97300 1.000 C32 C 5.17100 -1.64900 0.83300 1.000 C33 C 5.99300 -2.46200 0.07300 1.000 C34 C 1.88300 -2.08400 -0.92900 1.000 S35 S 0.71600 -1.09900 -0.05900 1.000 H36 H -2.23700 1.51400 1.01600 1.000 H37 H 1.80800 2.16400 -1.02800 1.000 H38 H 3.19200 -0.89500 1.11300 1.000 H39 H 3.75400 -3.56400 -2.19700 1.000 H40 H -2.79500 0.32600 3.06300 1.000 H41 H -3.02000 -1.14000 2.07900 1.000 H42 H 2.02300 4.10600 1.31800 1.000 H43 H 2.89100 2.55900 1.16800 1.000 H44 H -6.85900 1.28600 -0.00700 1.000 H45 H 6.13100 -3.78100 -1.60400 1.000 H46 H -0.63600 -1.05100 1.40300 1.000 H47 H -4.53600 1.55800 0.74600 1.000 H48 H -5.70300 -1.91400 -2.57800 1.000 H49 H 0.72000 0.93800 2.00000 1.000 H50 H -0.61200 1.53900 3.01700 1.000 H51 H -0.00900 3.67800 -1.77200 1.000 H52 H 0.32900 4.75900 -0.39900 1.000 H53 H -7.43700 -0.44000 -1.66000 1.000 H54 H 0.86500 -1.10400 3.40000 1.000 H55 H 1.09000 0.36200 4.38300 1.000 H56 H -2.64900 -1.71600 4.46300 1.000 H57 H -1.31800 -2.31800 3.44600 1.000 H58 H 2.29600 4.02900 -2.61700 1.000 H59 H 1.42800 5.57600 -2.46700 1.000 H60 H 4.32800 4.45700 0.47400 1.000 H61 H 3.98900 3.37500 -0.90000 1.000 H62 H 3.72700 5.75300 -1.55300 1.000 H63 H 2.51100 5.97100 -0.27100 1.000 H64 H -0.44900 -1.23100 5.49800 1.000 H65 H -1.29400 0.27300 5.06000 1.000 H66 H 0.18600 2.45300 1.38300 1.000 H67 H -0.67800 -2.86400 -2.88000 1.000 H68 H 1.79800 -3.36400 -2.65000 1.000 H69 H 5.57500 -1.11600 1.68100 1.000 H70 H 7.03800 -2.56000 0.32900 1.000