# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '0RD' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cl0 Cl -6.91800 -2.91800 0.63500 1.000 C1 C -5.27700 -2.35800 0.55500 1.000 C2 C -4.93200 -1.35400 -0.33400 1.000 C3 C -4.31700 -2.91100 1.38300 1.000 C4 C -3.01100 -2.46500 1.32100 1.000 C5 C -2.66200 -1.46300 0.42800 1.000 O6 O -1.37700 -1.02300 0.36600 1.000 C7 C -0.43800 -1.63800 1.25000 1.000 C8 C -3.62700 -0.90700 -0.39900 1.000 S9 S -3.18900 0.37100 -1.53100 1.000 O10 O -2.02900 -0.08100 -2.21600 1.000 O11 O -4.38700 0.74600 -2.19500 1.000 N12 N -2.72100 1.68100 -0.63300 1.000 C13 C -3.61800 2.74000 -0.16300 1.000 C14 C -2.71900 3.71500 0.61500 1.000 C15 C -1.33500 3.11200 0.52200 1.000 C16 C -1.41500 1.93600 -0.20900 1.000 C17 C -0.12400 3.54700 1.03000 1.000 C18 C -0.06100 4.82500 1.82700 1.000 C19 C 1.02600 2.81600 0.81300 1.000 C20 C 0.96400 1.63300 0.07500 1.000 C21 C -0.25800 1.19000 -0.42600 1.000 C22 C 2.19100 0.84400 -0.16400 1.000 O23 O 2.13600 -0.18600 -0.80700 1.000 N24 N 3.37100 1.26800 0.33200 1.000 C25 C 4.50700 0.47100 0.20300 1.000 C26 C 5.75500 1.06400 0.03800 1.000 C27 C 6.87900 0.28000 -0.09000 1.000 C28 C 4.39100 -0.91500 0.24400 1.000 C29 C 5.51100 -1.70500 0.11700 1.000 C30 C 6.76600 -1.11300 -0.05400 1.000 C31 C 7.96800 -1.95600 -0.19200 1.000 O32 O 7.86800 -3.16700 -0.15600 1.000 O33 O 9.17700 -1.38400 -0.35700 1.000 H34 H -5.68400 -0.92100 -0.97600 1.000 H35 H -4.58900 -3.69100 2.07900 1.000 H36 H -2.26100 -2.89700 1.96900 1.000 H37 H -0.75200 -1.47900 2.28200 1.000 H38 H -0.39200 -2.70800 1.04500 1.000 H39 H 0.54700 -1.19600 1.09800 1.000 H40 H -4.08200 3.24700 -1.01000 1.000 H41 H -4.38200 2.32500 0.49400 1.000 H42 H -2.73700 4.70100 0.15000 1.000 H43 H -3.03800 3.77800 1.65500 1.000 H44 H -0.21800 4.60300 2.88200 1.000 H45 H 0.91700 5.28700 1.69400 1.000 H46 H -0.83600 5.50800 1.47900 1.000 H47 H 1.96900 3.15900 1.21100 1.000 H48 H -0.30600 0.27300 -0.99500 1.000 H49 H 3.42900 2.12700 0.77800 1.000 H50 H 5.84200 2.14000 0.01100 1.000 H51 H 7.84800 0.74000 -0.21800 1.000 H52 H 3.42100 -1.37200 0.37700 1.000 H53 H 5.42000 -2.78100 0.14800 1.000 H54 H 9.93500 -1.97800 -0.44200 1.000