# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'JK3' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cl0 Cl -4.76200 1.22300 0.40300 1.000 C1 C 3.87700 1.90500 -1.06100 1.000 C2 C 4.87700 0.95100 -0.81600 1.000 C3 C 4.29500 -0.07400 -0.15000 1.000 O4 O 2.99600 0.20700 0.02200 1.000 C5 C 2.72200 1.40900 -0.52600 1.000 C6 C 1.41400 2.07000 -0.54000 1.000 O7 O 1.29000 3.16300 -1.06200 1.000 N8 N 0.34900 1.46900 0.02600 1.000 C9 C -0.87300 2.14800 0.11500 1.000 C10 C -0.90000 3.53400 0.11500 1.000 C11 C -2.10700 4.20300 0.20300 1.000 C12 C -3.29000 3.49300 0.29100 1.000 C13 C -3.27300 2.11000 0.29200 1.000 C14 C -2.06700 1.43100 0.19700 1.000 N15 N -2.04700 0.03100 0.19100 1.000 C16 C -2.75600 -0.50000 -0.98100 1.000 C17 C -2.64300 -2.02700 -0.99300 1.000 C18 C -2.61400 -0.50900 1.43500 1.000 C19 C -2.50100 -2.03500 1.42300 1.000 N20 N -3.21000 -2.56700 0.25000 1.000 C21 C -3.18900 -4.03500 0.24400 1.000 C22 C -4.10100 -4.53500 -0.79800 1.000 C23 C -4.82800 -4.93200 -1.62900 1.000 Br24 Br 5.17000 -1.64300 0.43900 1.000 H25 H 3.99900 2.85000 -1.56900 1.000 H26 H 5.91500 1.02100 -1.10500 1.000 H27 H 0.42800 0.56600 0.37100 1.000 H28 H 0.02200 4.09200 0.04600 1.000 H29 H -2.12600 5.28300 0.20300 1.000 H30 H -4.23100 4.02000 0.36000 1.000 H31 H -3.80600 -0.21300 -0.93300 1.000 H32 H -2.31000 -0.09600 -1.89000 1.000 H33 H -3.19300 -2.42500 -1.84600 1.000 H34 H -1.59500 -2.31300 -1.07000 1.000 H35 H -2.06500 -0.11000 2.28800 1.000 H36 H -3.66300 -0.22200 1.51100 1.000 H37 H -1.45100 -2.32200 1.37400 1.000 H38 H -2.94700 -2.44000 2.33200 1.000 H39 H -2.17700 -4.38400 0.03800 1.000 H40 H -3.51100 -4.40700 1.21700 1.000 H41 H -5.47900 -5.28800 -2.37300 1.000