# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'JAF' 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 3.06100 1.67000 -0.99800 1.000 C1 C 2.78800 0.33000 -0.36600 1.000 C2 C 3.49400 -0.78400 -0.77600 1.000 C3 C 3.24300 -2.01800 -0.19500 1.000 O4 O 3.93900 -3.11400 -0.59900 1.000 C5 C 2.28100 -2.13500 0.79800 1.000 C6 C 1.57300 -1.02200 1.20900 1.000 C7 C 0.53300 -1.14800 2.29100 1.000 C8 C 1.82900 0.21500 0.63100 1.000 N9 N 1.11200 1.34200 1.04700 1.000 S10 S 0.00900 2.04400 0.03100 1.000 O11 O -0.54400 3.14600 0.73700 1.000 O12 O 0.65100 2.17300 -1.23000 1.000 C13 C -1.30100 0.88800 -0.19500 1.000 C14 C -2.33700 0.83200 0.72000 1.000 C15 C -3.36500 -0.07400 0.54500 1.000 C16 C -3.35900 -0.92700 -0.54900 1.000 O17 O -4.36700 -1.82200 -0.72000 1.000 C18 C -5.40500 -1.82600 0.26300 1.000 C19 C -2.31900 -0.86800 -1.46500 1.000 C20 C -1.29600 0.04300 -1.28900 1.000 H21 H 2.49400 1.75800 -1.92400 1.000 H22 H 2.76100 2.46300 -0.31200 1.000 H23 H 4.12600 1.76000 -1.21400 1.000 H24 H 4.24400 -0.69400 -1.54900 1.000 H25 H 4.75400 -3.26700 -0.10200 1.000 H26 H 2.08600 -3.09600 1.25000 1.000 H27 H -0.43600 -1.36300 1.84100 1.000 H28 H 0.80700 -1.95900 2.96600 1.000 H29 H 0.47500 -0.21400 2.85000 1.000 H30 H 1.26200 1.71300 1.93100 1.000 H31 H -2.34100 1.49600 1.57100 1.000 H32 H -4.17300 -0.11800 1.26100 1.000 H33 H -5.88300 -0.84700 0.29100 1.000 H34 H -6.14400 -2.58500 0.00800 1.000 H35 H -4.97700 -2.04900 1.24100 1.000 H36 H -2.31200 -1.53100 -2.31800 1.000 H37 H -0.48600 0.09000 -2.00300 1.000