# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'JYS' 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 6.41200 0.07200 -0.50000 1.000 C1 C 5.99000 -1.23900 -0.41500 1.000 C2 C 4.65000 -1.52300 -0.16400 1.000 C3 C 3.74300 -0.46500 -0.00200 1.000 C4 C 4.18200 0.85400 -0.09100 1.000 C5 C 5.51400 1.11500 -0.33900 1.000 C6 C 2.64600 -2.45900 0.21200 1.000 C7 C 2.43100 -1.09300 0.24500 1.000 C8 C 1.15900 -0.41000 0.47700 1.000 C9 C -0.10300 -1.19800 0.58100 1.000 C10 C -2.53000 -1.31300 0.88300 1.000 C11 C -3.51800 -1.03800 -0.25700 1.000 C12 C -2.36700 1.16700 -0.72200 1.000 C13 C -1.37200 0.88900 0.42100 1.000 C14 C -4.79300 1.04600 -0.41700 1.000 C15 C -6.04000 0.26400 -0.28000 1.000 C16 C -7.12000 0.78500 0.43500 1.000 C17 C -8.28100 0.04900 0.55800 1.000 C18 C -8.37600 -1.20200 -0.02500 1.000 C19 C -7.30900 -1.72400 -0.73500 1.000 C20 C -6.14500 -0.99700 -0.87100 1.000 F21 F 6.87600 -2.24700 -0.57400 1.000 N22 N 3.94600 -2.70400 -0.02700 1.000 N23 N -1.29100 -0.56400 0.62700 1.000 N24 N -3.60300 0.41500 -0.46400 1.000 O25 O 1.13100 0.80000 0.58700 1.000 O26 O -0.06000 -2.41000 0.62400 1.000 O27 O -4.84100 2.25900 -0.48600 1.000 Br28 Br 2.95800 2.27900 0.12800 1.000 H29 H 7.45400 0.28800 -0.69000 1.000 H30 H 5.85700 2.13700 -0.40800 1.000 H31 H 1.88600 -3.21300 0.35800 1.000 H32 H -2.96300 -0.99000 1.82900 1.000 H33 H -2.30900 -2.38000 0.92600 1.000 H34 H -3.16700 -1.51700 -1.17000 1.000 H35 H -4.50000 -1.43000 0.00800 1.000 H36 H -2.58900 2.23400 -0.76200 1.000 H37 H -1.93400 0.84500 -1.66900 1.000 H38 H -0.39000 1.27900 0.15400 1.000 H39 H -1.72300 1.36800 1.33600 1.000 H40 H -7.04700 1.76100 0.89000 1.000 H41 H -9.11700 0.45100 1.11100 1.000 H42 H -9.28700 -1.77300 0.07400 1.000 H43 H -7.38900 -2.70100 -1.18700 1.000 H44 H -5.31300 -1.40500 -1.42500 1.000 H45 H 4.33700 -3.58900 -0.09500 1.000