# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'JOA' 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 0.42700 -0.75000 0.98100 1.000 C1 C 2.79600 1.91800 1.15900 1.000 C2 C 0.21500 -3.84500 0.28100 1.000 C3 C -4.72900 0.99700 0.36500 1.000 O4 O -3.55500 0.67600 -0.38300 1.000 C5 C -2.49000 0.13300 0.40700 1.000 C6 C -1.66200 1.27200 0.98600 1.000 C7 C -0.82800 1.96900 -0.08400 1.000 C8 C 0.01200 0.96100 -0.86700 1.000 C9 C -0.92100 -0.04800 -1.54200 1.000 C10 C -1.66200 -0.81600 -0.44700 1.000 C11 C -0.67400 -1.61900 0.38800 1.000 N12 N 0.92500 0.24600 0.03100 1.000 S13 S 2.55600 0.57200 -0.03300 1.000 O14 O 2.76900 1.03600 -1.35900 1.000 O15 O 3.17100 -0.62200 0.43300 1.000 O16 O -0.08700 -2.64100 -0.42600 1.000 H17 H 0.09300 -0.27700 1.90100 1.000 H18 H 1.27200 -1.40700 1.25600 1.000 H19 H 2.48500 1.58500 2.15000 1.000 H20 H 3.84800 2.19900 1.18400 1.000 H21 H 2.19700 2.77800 0.86100 1.000 H22 H -0.70000 -4.25800 0.70500 1.000 H23 H 0.65600 -4.56900 -0.40500 1.000 H24 H 0.92100 -3.62800 1.08300 1.000 H25 H -5.11200 0.09600 0.84400 1.000 H26 H -4.48400 1.73700 1.12600 1.000 H27 H -5.48700 1.40200 -0.30500 1.000 H28 H -2.93700 -0.43500 1.23300 1.000 H29 H -2.35600 2.01500 1.41600 1.000 H30 H -1.03300 0.92300 1.79800 1.000 H31 H -1.49000 2.50200 -0.77200 1.000 H32 H -0.16600 2.70000 0.39100 1.000 H33 H 0.59400 1.48700 -1.63500 1.000 H34 H -1.63800 0.47800 -2.17200 1.000 H35 H -0.34000 -0.74000 -2.14900 1.000 H36 H -2.34900 -1.52300 -0.93800 1.000 H37 H -1.22000 -2.10800 1.20600 1.000