# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'J18' 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 -4.36500 -0.55300 0.02100 1.000 C1 C -5.71800 -1.16100 -0.02200 1.000 C2 C -6.85000 -0.35600 0.08800 1.000 C3 C -6.70400 1.13500 0.25100 1.000 C4 C -8.10600 -0.92700 0.04700 1.000 C5 C -9.33200 -0.05800 0.16700 1.000 C6 C -8.24200 -2.29500 -0.10300 1.000 C7 C -7.12200 -3.09900 -0.21300 1.000 C8 C -5.86100 -2.53800 -0.17900 1.000 C9 C -3.39300 -1.06900 0.87400 1.000 C10 C 6.67400 -1.89400 1.30900 1.000 C11 C -0.32900 3.49600 1.34400 1.000 C12 C -0.46800 2.75100 0.01500 1.000 C13 C 1.42300 3.31200 -1.62500 1.000 C14 C 2.69400 3.84800 -0.99100 1.000 C15 C 3.59000 2.64900 -0.56600 1.000 C16 C 2.88400 1.78400 0.48400 1.000 C17 C 4.01000 -1.20100 1.04900 1.000 C18 C 4.72400 -1.62700 -0.05500 1.000 C19 C 4.05100 -1.71200 -1.40100 1.000 C20 C 6.05600 -1.97300 0.07500 1.000 C21 C 5.95900 -1.46800 2.41300 1.000 C22 C 4.62700 -1.12200 2.28300 1.000 C23 C 1.57000 0.41600 -1.34900 1.000 C24 C 0.24300 1.22000 -1.20000 1.000 C25 C -0.46800 1.20000 0.14400 1.000 C26 C -1.84200 0.58200 0.10100 1.000 C27 C -2.80100 1.09600 -0.75300 1.000 C28 C -4.06100 0.53400 -0.79700 1.000 C29 C -2.13600 -0.50000 0.91000 1.000 F30 F 3.61000 -0.44100 -1.78300 1.000 F31 F 4.96100 -2.19500 -2.34800 1.000 F32 F 2.95700 -2.58000 -1.32100 1.000 N33 N 0.77400 2.50500 -0.65800 1.000 N34 N 2.24900 0.59100 -0.07500 1.000 O35 O -0.37500 4.90500 1.10800 1.000 O36 O 1.69500 -1.80400 0.14600 1.000 O37 O 1.87500 -0.35500 2.17400 1.000 S38 S 2.31200 -0.75800 0.88400 1.000 H39 H -6.68700 1.60800 -0.73000 1.000 H40 H -7.54500 1.52200 0.82700 1.000 H41 H -5.77400 1.35300 0.77600 1.000 H42 H -9.64600 0.26500 -0.82600 1.000 H43 H -10.13600 -0.62600 0.63500 1.000 H44 H -9.10000 0.81500 0.77700 1.000 H45 H -9.22700 -2.73800 -0.13500 1.000 H46 H -7.23300 -4.16700 -0.33100 1.000 H47 H -4.98700 -3.16600 -0.26900 1.000 H48 H -3.62200 -1.91400 1.50700 1.000 H49 H 7.71300 -2.16900 1.41100 1.000 H50 H -1.14700 3.21200 2.00700 1.000 H51 H 0.62200 3.23600 1.80900 1.000 H52 H -1.25600 3.14900 -0.62400 1.000 H53 H 0.77500 4.14000 -1.91200 1.000 H54 H 1.66900 2.71400 -2.50200 1.000 H55 H 3.22900 4.46500 -1.71300 1.000 H56 H 2.44100 4.44400 -0.11500 1.000 H57 H 3.81200 2.03900 -1.44100 1.000 H58 H 4.52200 3.02900 -0.14800 1.000 H59 H 3.61600 1.47400 1.23000 1.000 H60 H 2.12200 2.38700 0.97700 1.000 H61 H 6.61400 -2.30600 -0.78800 1.000 H62 H 6.44200 -1.40600 3.37700 1.000 H63 H 4.06900 -0.78900 3.14600 1.000 H64 H 1.35700 -0.63800 -1.52500 1.000 H65 H 2.17100 0.82300 -2.16200 1.000 H66 H -0.39400 1.23800 -2.08500 1.000 H67 H 0.14600 0.82500 0.96300 1.000 H68 H -2.56400 1.93800 -1.38600 1.000 H69 H -4.81000 0.93600 -1.46400 1.000 H70 H -1.38300 -0.89700 1.57500 1.000 H71 H -0.29300 5.44000 1.90900 1.000