# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'RJA' 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 5.40800 -4.65900 -1.04000 1.000 O1 O 6.15000 -5.51800 -1.75800 1.000 C2 C 5.81200 -3.21000 -0.94800 1.000 O3 O 4.27100 -0.72400 2.22500 1.000 C4 C 4.80600 -2.45500 -0.07800 1.000 O5 O -4.93600 1.96700 -0.80800 1.000 C6 C 5.21500 -0.98400 0.01600 1.000 O7 O -7.04600 -2.61200 -0.56800 1.000 C8 C 4.20900 -0.22800 0.88600 1.000 O9 O -3.50400 -0.47700 -0.31700 1.000 C10 C 4.54200 1.24200 0.87900 1.000 C11 C 3.65300 2.12200 0.43000 1.000 C12 C 3.97800 3.55600 0.42300 1.000 C13 C 3.13300 4.42600 -0.11900 1.000 O14 O 4.41500 -5.04700 -0.47300 1.000 C15 C 1.78200 3.96400 -0.60200 1.000 C16 C 0.69000 4.81800 0.04400 1.000 C17 C -0.66400 4.27900 -0.34200 1.000 C18 C -1.29400 3.43000 0.46300 1.000 C19 C -2.61500 2.90300 0.08700 1.000 C20 C -3.24600 2.05400 0.89100 1.000 C21 C -4.59900 1.51500 0.50600 1.000 C22 C -4.56300 -0.01500 0.52500 1.000 C23 C -5.89700 -0.56300 0.01300 1.000 C24 C -5.83100 -2.09300 -0.02200 1.000 C25 C -4.65100 -2.52300 -0.89900 1.000 C26 C -3.36500 -1.89900 -0.35100 1.000 C27 C -3.11000 -2.41200 1.04200 1.000 C28 C -2.00700 -3.06800 1.30800 1.000 C29 C -1.75300 -3.58200 2.70100 1.000 C30 C 5.27000 4.04000 1.03100 1.000 C31 C 1.70800 4.10600 -2.12400 1.000 C32 C -1.30200 4.70200 -1.63900 1.000 C33 C -4.52900 -4.04800 -0.88000 1.000 H34 H 5.85100 -6.43700 -1.78700 1.000 H35 H 6.80400 -3.13700 -0.50300 1.000 H36 H 5.82800 -2.77300 -1.94700 1.000 H37 H 5.13800 -0.62600 2.64100 1.000 H38 H 3.81300 -2.52800 -0.52300 1.000 H39 H 4.78900 -2.89100 0.92100 1.000 H40 H -4.31200 1.68800 -1.49200 1.000 H41 H 6.20800 -0.91000 0.46100 1.000 H42 H 5.23200 -0.54700 -0.98300 1.000 H43 H -7.83700 -2.37200 -0.06600 1.000 H44 H 3.20400 -0.37500 0.49100 1.000 H45 H 5.50300 1.57900 1.23800 1.000 H46 H 2.69200 1.78400 0.07100 1.000 H47 H 3.41400 5.46500 -0.21400 1.000 H48 H 1.63700 2.91900 -0.32700 1.000 H49 H 0.79800 4.78700 1.12800 1.000 H50 H 0.78200 5.84800 -0.30100 1.000 H51 H -0.83700 3.12600 1.39300 1.000 H52 H -3.07300 3.20700 -0.84400 1.000 H53 H -2.78900 1.75100 1.82100 1.000 H54 H -5.34700 1.86900 1.21500 1.000 H55 H -4.39400 -0.36200 1.54400 1.000 H56 H -6.70000 -0.24800 0.67800 1.000 H57 H -6.08500 -0.18400 -0.99200 1.000 H58 H -5.69400 -2.47600 0.98900 1.000 H59 H -4.81400 -2.18300 -1.92100 1.000 H60 H -2.52800 -2.16600 -0.99600 1.000 H61 H -3.83700 -2.24100 1.82200 1.000 H62 H -1.28100 -3.24000 0.52800 1.000 H63 H -0.79300 -4.09700 2.72900 1.000 H64 H -1.73700 -2.74500 3.40000 1.000 H65 H -2.54600 -4.27500 2.98300 1.000 H66 H 6.05000 4.04500 0.26900 1.000 H67 H 5.13400 5.04900 1.41900 1.000 H68 H 5.56000 3.37400 1.84300 1.000 H69 H 2.48600 3.49800 -2.58400 1.000 H70 H 0.73100 3.77200 -2.47300 1.000 H71 H 1.85400 5.15100 -2.39800 1.000 H72 H -1.00500 4.01500 -2.43200 1.000 H73 H -2.38600 4.68700 -1.53300 1.000 H74 H -0.97600 5.71100 -1.89200 1.000 H75 H -5.44700 -4.49100 -1.26500 1.000 H76 H -3.68800 -4.35300 -1.50400 1.000 H77 H -4.36300 -4.38700 0.14300 1.000