# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'J0A' 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 -3.14800 3.54000 -0.22700 1.000 O1 O -3.89900 2.40900 0.21800 1.000 C2 C -3.25300 1.21300 0.25100 1.000 C3 C -1.94300 1.14400 -0.12500 1.000 C4 C -1.27200 -0.08700 -0.09100 1.000 C5 C 0.08200 -0.19600 -0.47900 1.000 C6 C 0.84000 0.97500 -0.96700 1.000 C7 C 2.18000 0.99300 -0.83400 1.000 C8 C 2.79400 -0.20100 -0.19300 1.000 C9 C 2.47700 -0.18700 1.30400 1.000 C10 C 4.28400 -0.44200 -0.38400 1.000 O11 O 5.02400 0.16800 0.67500 1.000 S12 S 6.37000 0.73300 0.24400 1.000 O13 O 7.04700 1.11000 1.43600 1.000 O14 O 6.90800 -0.18500 -0.69800 1.000 N15 N 6.07000 2.13400 -0.58600 1.000 C16 C 4.45300 -1.98300 -0.34300 1.000 C17 C 3.02100 -2.57700 -0.22700 1.000 C18 C 2.14500 -1.46900 -0.81600 1.000 C19 C 0.71000 -1.44400 -0.41200 1.000 C20 C 0.01900 -2.56400 0.00900 1.000 C21 C -1.29300 -2.48200 0.37700 1.000 C22 C -1.96300 -1.24800 0.33700 1.000 C23 C -3.31300 -1.14500 0.71800 1.000 C24 C -3.93800 0.06600 0.67800 1.000 O25 O -5.24200 0.16300 1.05200 1.000 S26 S -6.22900 -0.04600 -0.08700 1.000 O27 O -7.51200 0.28500 0.42800 1.000 O28 O -5.66400 0.58500 -1.22900 1.000 N29 N -6.26100 -1.66800 -0.41800 1.000 H30 H -2.79800 3.36700 -1.24400 1.000 H31 H -3.78100 4.42700 -0.20500 1.000 H32 H -2.29200 3.68900 0.43100 1.000 H33 H -1.42400 2.03500 -0.44900 1.000 H34 H 0.32500 1.80600 -1.42700 1.000 H35 H 2.77500 1.82800 -1.17200 1.000 H36 H 1.39700 -0.22200 1.44700 1.000 H37 H 2.93500 -1.05400 1.78100 1.000 H38 H 2.87300 0.72500 1.75000 1.000 H39 H 4.60900 -0.05100 -1.34800 1.000 H40 H 6.72000 2.85400 -0.57400 1.000 H41 H 5.24500 2.23400 -1.08600 1.000 H42 H 4.93000 -2.33100 -1.25900 1.000 H43 H 5.04900 -2.27100 0.52300 1.000 H44 H 2.93300 -3.49100 -0.81300 1.000 H45 H 2.76300 -2.76300 0.81600 1.000 H46 H 2.23200 -1.44400 -1.90200 1.000 H47 H 0.52300 -3.51800 0.04700 1.000 H48 H -1.81700 -3.36900 0.70000 1.000 H49 H -3.85200 -2.02300 1.04400 1.000 H50 H -5.70500 -2.27800 0.09200 1.000 H51 H -6.83600 -2.00900 -1.12100 1.000