# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'JT7' 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 4.30800 -1.42900 -1.56800 1.000 O1 O -5.68700 1.24200 2.00700 1.000 O2 O -4.93900 -1.09600 1.85200 1.000 C3 C -4.22400 0.55000 -0.01600 1.000 C4 C -5.17000 0.32600 -1.19800 1.000 C5 C -6.38800 1.24100 -1.05800 1.000 C6 C -5.94400 2.70100 -1.16600 1.000 C7 C -7.39100 0.92900 -2.17000 1.000 N8 N -3.05800 -0.32600 -0.15100 1.000 C9 C -1.82000 0.16200 0.06400 1.000 O10 O -1.67200 1.32700 0.36900 1.000 C11 C -0.62000 -0.73900 -0.07500 1.000 C12 C -0.73700 -1.90000 0.91500 1.000 C13 C 0.41500 -2.88100 0.69000 1.000 C14 C 0.37000 -3.97500 1.75800 1.000 C15 C 0.28100 -3.51500 -0.69600 1.000 N16 N 0.59800 0.02300 0.20900 1.000 C17 C 1.77600 -0.37100 -0.31400 1.000 O18 O 1.82800 -1.36000 -1.02000 1.000 C19 C 3.00400 0.39600 -0.02900 1.000 C20 C 2.94700 1.53300 0.78300 1.000 C21 C 4.09400 2.24600 1.04700 1.000 C22 C 5.30900 1.83900 0.50700 1.000 C23 C 5.37100 0.71000 -0.30100 1.000 C24 C 4.22900 -0.01400 -0.56500 1.000 O25 O 6.43700 2.54600 0.77000 1.000 C26 C 7.65100 2.07200 0.18300 1.000 B27 B -4.97400 0.22100 1.32300 1.000 H28 H -5.65400 2.10400 1.57100 1.000 H29 H -4.42900 -1.72100 1.31700 1.000 H30 H -3.89800 1.59000 -0.00400 1.000 H31 H -4.64900 0.55400 -2.12800 1.000 H32 H -5.49600 -0.71400 -1.21000 1.000 H33 H -6.85700 1.07500 -0.08800 1.000 H34 H -5.47500 2.86800 -2.13500 1.000 H35 H -6.81200 3.35300 -1.06600 1.000 H36 H -5.22900 2.92300 -0.37300 1.000 H37 H -7.70700 -0.11100 -2.09300 1.000 H38 H -8.25900 1.58100 -2.06900 1.000 H39 H -6.92200 1.09500 -3.13900 1.000 H40 H -3.17700 -1.25700 -0.39500 1.000 H41 H -0.57600 -1.13100 -1.09100 1.000 H42 H -0.69200 -1.51500 1.93400 1.000 H43 H -1.68700 -2.41300 0.76200 1.000 H44 H 1.36400 -2.34800 0.75500 1.000 H45 H -0.57800 -4.50800 1.69300 1.000 H46 H 1.19100 -4.67400 1.59700 1.000 H47 H 0.46600 -3.52300 2.74500 1.000 H48 H -0.66800 -4.04800 -0.76100 1.000 H49 H 0.31300 -2.73600 -1.45700 1.000 H50 H 1.10200 -4.21400 -0.85700 1.000 H51 H 0.55700 0.81200 0.77200 1.000 H52 H 2.00400 1.85100 1.20200 1.000 H53 H 4.05100 3.12500 1.67300 1.000 H54 H 6.31700 0.39700 -0.71900 1.000 H55 H 7.55300 2.06900 -0.90200 1.000 H56 H 8.47400 2.72600 0.47200 1.000 H57 H 7.85200 1.05900 0.53300 1.000