# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '0RS' 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 -9.57400 -2.40500 -0.81300 1.000 C1 C -8.31500 -3.79300 0.72000 1.000 C2 C -7.36400 -1.72300 -0.09800 1.000 O3 O 1.97600 3.27200 -0.51200 1.000 C4 C -2.18700 2.77000 -0.39200 1.000 C5 C -0.06800 2.18800 -0.19900 1.000 C6 C -2.09200 1.42600 0.01800 1.000 C7 C 1.40800 2.24200 -0.20800 1.000 C8 C 2.19500 1.04200 0.15400 1.000 C9 C 1.55900 -0.15500 0.50800 1.000 C10 C 2.32700 -1.25500 0.83900 1.000 C11 C 4.29100 -0.08400 0.49300 1.000 C12 C 3.59200 1.07100 0.14600 1.000 C13 C 5.77200 -0.07300 0.49100 1.000 C14 C 6.47500 0.94600 1.11200 1.000 C15 C 8.53100 0.03800 0.55400 1.000 C16 C 7.92200 -1.04000 -0.10900 1.000 C17 C 8.67200 -2.04600 -0.73800 1.000 C18 C 8.02900 -3.06900 -1.36700 1.000 C19 C 6.63800 -3.13200 -1.39800 1.000 C20 C 5.87800 -2.17800 -0.78700 1.000 C21 C 6.50500 -1.10700 -0.14100 1.000 N22 N -8.59900 -2.41900 0.28500 1.000 C23 C -7.69700 -0.29600 -0.54100 1.000 C24 C -6.40100 0.44400 -0.88200 1.000 N25 N -5.52700 0.47000 0.29800 1.000 C26 C -5.15500 -0.88800 0.71400 1.000 C27 C -6.41300 -1.66900 1.10100 1.000 C28 C -4.39800 1.24600 0.06500 1.000 C29 C -4.55200 2.57600 -0.34000 1.000 C30 C -3.44400 3.34500 -0.57100 1.000 N31 N -0.89700 3.22800 -0.52200 1.000 N32 N -0.78300 1.13300 0.11200 1.000 N33 N -3.20300 0.71500 0.23100 1.000 N34 N 3.64300 -1.19300 0.82600 1.000 N35 N 7.79800 0.96700 1.12200 1.000 H36 H -10.50400 -2.86500 -0.47900 1.000 H37 H -9.76600 -1.37500 -1.11500 1.000 H38 H -9.17600 -2.96400 -1.66000 1.000 H39 H -7.64500 -3.77200 1.57900 1.000 H40 H -9.24700 -4.28600 0.99800 1.000 H41 H -7.84400 -4.34200 -0.09500 1.000 H42 H -6.88500 -2.25700 -0.91900 1.000 H43 H 0.48100 -0.21800 0.52200 1.000 H44 H 1.84100 -2.18000 1.11200 1.000 H45 H 4.12100 1.97300 -0.12500 1.000 H46 H 5.93000 1.74200 1.59800 1.000 H47 H 9.60900 0.10700 0.59000 1.000 H48 H 9.75100 -2.00900 -0.72300 1.000 H49 H 8.60700 -3.84200 -1.85100 1.000 H50 H 6.15400 -3.95400 -1.90400 1.000 H51 H 4.80000 -2.23900 -0.81800 1.000 H52 H -8.33900 -0.32900 -1.42200 1.000 H53 H -8.21300 0.22500 0.26600 1.000 H54 H -5.89400 -0.07000 -1.69800 1.000 H55 H -6.63400 1.46500 -1.18400 1.000 H56 H -4.65300 -1.39600 -0.11100 1.000 H57 H -4.48300 -0.83500 1.57000 1.000 H58 H -6.90800 -1.17000 1.93400 1.000 H59 H -6.13700 -2.68200 1.39400 1.000 H60 H -5.54000 2.99300 -0.47000 1.000 H61 H -3.54100 4.37400 -0.88400 1.000 H62 H -0.62600 4.12000 -0.78800 1.000