# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9RU' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy O0 O 12.35800 -2.08000 -1.57100 1.000 C1 C 12.22300 -1.14300 -0.80900 1.000 N2 N 12.93500 -0.01200 -0.90900 1.000 C3 C 12.52400 0.91000 0.16200 1.000 C4 C 11.98400 2.21000 -0.46700 1.000 S5 S 10.19000 1.85400 -0.65300 1.000 N6 N 11.34500 -1.14300 0.20300 1.000 C7 C 11.44200 0.13600 0.92400 1.000 C8 C 10.07300 0.84300 0.87900 1.000 C9 C 8.93900 -0.17800 0.77000 1.000 C10 C 7.59600 0.55500 0.72100 1.000 C11 C 6.46200 -0.46600 0.61200 1.000 C12 C 5.12000 0.26600 0.56300 1.000 C13 C 4.00200 -0.73900 0.45600 1.000 O14 O 4.25500 -1.92500 0.42200 1.000 N15 N 2.72200 -0.32100 0.39800 1.000 C16 C 1.63600 -1.29800 0.29400 1.000 C17 C 0.31400 -0.57700 0.24600 1.000 C18 C -0.22000 -0.19800 -0.97300 1.000 C19 C -1.43000 0.46300 -1.02400 1.000 C20 C -2.01000 0.87600 -2.35200 1.000 C21 C -2.11600 0.74900 0.15800 1.000 C22 C -1.57200 0.36300 1.38400 1.000 C23 C -2.30600 0.66700 2.66400 1.000 C24 C -0.36400 -0.30100 1.42000 1.000 N25 N -3.31900 1.40600 0.11400 1.000 C26 C -4.47300 0.83200 0.02200 1.000 Ru27 Ru -4.69100 -1.14300 -0.07300 1.000 N28 N -5.52900 1.69200 -0.00400 1.000 C29 C -5.01100 3.06800 0.08500 1.000 C30 C -3.48500 2.86500 0.17100 1.000 C31 C -6.87600 1.33100 -0.09800 1.000 C32 C -7.61700 1.10100 1.05400 1.000 C33 C -6.97000 1.24000 2.40800 1.000 C34 C -8.94800 0.74400 0.95700 1.000 C35 C -9.54200 0.61600 -0.28500 1.000 C36 C -10.99500 0.22700 -0.38700 1.000 C37 C -8.80700 0.84500 -1.43400 1.000 C38 C -7.47700 1.20700 -1.34400 1.000 C39 C -6.67900 1.46200 -2.59600 1.000 Cl40 Cl -2.92000 -2.44900 -0.02300 1.000 Cl41 Cl -6.70100 -2.02300 -0.22800 1.000 H42 H 13.61200 0.17000 -1.57900 1.000 H43 H 13.36900 1.13000 0.81500 1.000 H44 H 12.14300 3.05700 0.20100 1.000 H45 H 12.44600 2.39000 -1.43800 1.000 H46 H 10.74500 -1.87200 0.42700 1.000 H47 H 11.75200 -0.03100 1.95500 1.000 H48 H 9.93800 1.48000 1.75300 1.000 H49 H 9.06500 -0.76600 -0.14000 1.000 H50 H 8.96000 -0.83900 1.63600 1.000 H51 H 7.47000 1.14200 1.63000 1.000 H52 H 7.57400 1.21600 -0.14500 1.000 H53 H 6.58800 -1.05400 -0.29700 1.000 H54 H 6.48400 -1.12800 1.47800 1.000 H55 H 4.99300 0.85400 1.47200 1.000 H56 H 5.09800 0.92800 -0.30300 1.000 H57 H 2.52000 0.62800 0.42500 1.000 H58 H 1.76200 -1.88600 -0.61500 1.000 H59 H 1.65800 -1.95900 1.16000 1.000 H60 H 0.31200 -0.41900 -1.88700 1.000 H61 H -2.63900 0.07400 -2.73900 1.000 H62 H -2.60900 1.77700 -2.22300 1.000 H63 H -1.20200 1.07400 -3.05600 1.000 H64 H -2.97200 -0.16100 2.90700 1.000 H65 H -1.58600 0.80300 3.47200 1.000 H66 H -2.89000 1.57900 2.54100 1.000 H67 H 0.05600 -0.60400 2.36800 1.000 H68 H -5.27600 3.63700 -0.80600 1.000 H69 H -3.09700 3.25700 1.11200 1.000 H70 H -7.08200 2.26600 2.76000 1.000 H71 H -7.45000 0.56000 3.11100 1.000 H72 H -5.91100 0.99600 2.33100 1.000 H73 H -9.52500 0.56500 1.85200 1.000 H74 H -11.61200 1.12500 -0.38600 1.000 H75 H -11.15900 -0.32500 -1.31200 1.000 H76 H -11.26300 -0.40000 0.46300 1.000 H77 H -9.27400 0.74500 -2.40200 1.000 H78 H -6.21800 0.53200 -2.92900 1.000 H79 H -7.33800 1.84000 -3.37700 1.000 H80 H -5.90200 2.19800 -2.38800 1.000 H81 H -5.38100 3.56200 0.98300 1.000 H82 H -2.98900 3.34000 -0.67600 1.000