# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'JJ3' 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 -3.96800 0.57200 0.28000 1.000 C1 C -3.57200 -0.74300 0.08600 1.000 C2 C -2.22800 -1.05600 0.05200 1.000 C3 C -1.27300 -0.05900 0.21300 1.000 O4 O 0.04100 -0.40800 0.17200 1.000 C5 C 0.96500 0.47500 0.80800 1.000 C6 C 0.75900 1.89000 0.28200 1.000 C7 C 0.81700 1.89800 -1.26200 1.000 C8 C -0.00500 3.14100 -1.66400 1.000 C9 C -0.95100 3.44100 -0.48800 1.000 C10 C -0.67200 2.37000 0.59000 1.000 C11 C -1.66500 1.25200 0.40800 1.000 C12 C -3.01600 1.56400 0.44000 1.000 C13 C 2.37300 0.02800 0.50900 1.000 C14 C 3.33800 0.07700 1.49800 1.000 C15 C 4.62900 -0.33200 1.22700 1.000 C16 C 4.95800 -0.79200 -0.04000 1.000 O17 O 6.22700 -1.19500 -0.30900 1.000 C18 C 3.98800 -0.84100 -1.03100 1.000 C19 C 2.69700 -0.43600 -0.75300 1.000 C20 C -1.79500 -2.48400 -0.15900 1.000 O21 O -2.94900 -3.31600 -0.29700 1.000 C22 C -2.64800 -4.69800 -0.50300 1.000 O23 O -5.29100 0.88700 0.30800 1.000 H24 H -4.31200 -1.51900 -0.03900 1.000 H25 H -3.32700 2.58700 0.59100 1.000 H26 H -5.68700 0.84500 1.18900 1.000 H27 H -1.18900 -2.55000 -1.06300 1.000 H28 H -1.20800 -2.81600 0.69700 1.000 H29 H 0.80000 0.46000 1.88500 1.000 H30 H 1.50200 2.56900 0.70000 1.000 H31 H 1.84700 1.99400 -1.60400 1.000 H32 H 0.36300 0.99300 -1.66500 1.000 H33 H -0.73200 2.79800 1.59000 1.000 H34 H 0.66000 3.98800 -1.83400 1.000 H35 H -0.58200 2.93100 -2.56400 1.000 H36 H -0.74700 4.43500 -0.08900 1.000 H37 H -1.98800 3.37700 -0.81800 1.000 H38 H 3.08100 0.43500 2.48500 1.000 H39 H 1.94100 -0.47700 -1.52300 1.000 H40 H 5.38200 -0.29300 2.00000 1.000 H41 H 6.38600 -2.13400 -0.14300 1.000 H42 H 4.24200 -1.19800 -2.01800 1.000 H43 H -3.57600 -5.26200 -0.59800 1.000 H44 H -2.05900 -4.81000 -1.41400 1.000 H45 H -2.07800 -5.07600 0.34600 1.000