# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9JX' 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 7.40700 0.46100 -1.03700 1.000 C1 C 5.24700 2.26200 0.15900 1.000 C2 C 2.86100 2.46600 0.11200 1.000 C3 C 7.60300 -1.89800 0.40800 1.000 C4 C 3.88000 0.32100 -0.25900 1.000 C5 C -8.39200 -2.08200 -0.39300 1.000 C6 C 2.74300 1.10600 -0.14300 1.000 C7 C -7.07700 -0.04000 0.00300 1.000 C8 C -6.13100 1.02300 0.38400 1.000 C9 C -4.31900 -0.62900 0.33900 1.000 C10 C -2.67700 1.75800 0.06600 1.000 C11 C -3.09900 -0.54000 -0.58400 1.000 C12 C -0.86900 0.38400 -0.77500 1.000 C13 C 8.54300 -0.31800 -1.13300 1.000 C14 C 8.64100 -1.49500 -0.41200 1.000 C15 C 4.11000 3.03900 0.26200 1.000 C16 C -8.84500 -0.95600 -0.96500 1.000 C17 C 5.13800 0.89700 -0.10200 1.000 C18 C 6.35800 0.06100 -0.21300 1.000 C19 C 6.45900 -1.12900 0.50700 1.000 C20 C 1.26300 -0.74300 -0.67100 1.000 C21 C -0.22200 -1.02000 -0.74900 1.000 C22 C -3.88000 1.76300 1.01500 1.000 C23 C 0.21100 1.24100 -0.08000 1.000 N24 N -8.13500 0.11900 -0.74500 1.000 N25 N 1.47700 0.53100 -0.30000 1.000 N26 N -4.82900 0.73100 0.57200 1.000 N27 N -2.12500 0.39900 -0.01200 1.000 O28 O 2.13400 -1.55300 -0.90900 1.000 O29 O -6.52500 2.16400 0.53000 1.000 S30 S -6.96400 -1.73000 0.48200 1.000 Cl31 Cl 5.15700 -1.63700 1.53700 1.000 H32 H 7.33400 1.38200 -1.59700 1.000 H33 H 6.22100 2.71300 0.27700 1.000 H34 H 1.97500 3.07800 0.19300 1.000 H35 H 7.68300 -2.82000 0.96500 1.000 H36 H 3.79000 -0.73700 -0.46100 1.000 H37 H -8.85600 -3.05400 -0.46800 1.000 H38 H -5.09300 -1.23400 -0.13400 1.000 H39 H -4.02900 -1.08200 1.28700 1.000 H40 H -2.99500 2.07900 -0.92600 1.000 H41 H -1.91400 2.44000 0.44200 1.000 H42 H -2.64200 -1.52500 -0.67900 1.000 H43 H -3.41100 -0.18800 -1.56700 1.000 H44 H -1.03300 0.71900 -1.79900 1.000 H45 H 9.35700 -0.00800 -1.77100 1.000 H46 H 9.53100 -2.10100 -0.49000 1.000 H47 H 4.19700 4.09700 0.46000 1.000 H48 H -9.74000 -0.93900 -1.57000 1.000 H49 H -0.55300 -1.57600 0.12800 1.000 H50 H -0.46100 -1.56700 -1.66100 1.000 H51 H -3.54600 1.54300 2.03000 1.000 H52 H -4.36300 2.74000 0.98900 1.000 H53 H 0.25300 2.23300 -0.53000 1.000 H54 H 0.00300 1.31900 0.98700 1.000