# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '95Y' 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 2.72600 1.04300 0.61300 1.000 C1 C 0.21500 -2.13300 0.63600 1.000 C2 C 2.32700 -1.17900 0.11500 1.000 C3 C -3.69300 -2.07700 -0.95100 1.000 C4 C -3.98800 0.19500 -1.00100 1.000 C5 C -2.99700 -1.80000 0.15300 1.000 C6 C 3.57800 -1.31000 -0.47300 1.000 C7 C 3.99000 0.98200 0.03900 1.000 C8 C -4.23700 -0.97600 -1.58900 1.000 C9 C 4.42500 -0.21300 -0.51400 1.000 C10 C -4.46600 1.53500 -1.49700 1.000 C11 C 0.92100 2.09100 1.70900 1.000 C12 C 2.32800 3.32600 0.17600 1.000 C13 C -5.05100 -1.09200 -2.85200 1.000 C14 C 1.88500 4.63200 0.84000 1.000 C15 C 0.49200 3.40900 2.35800 1.000 C16 C -5.83000 1.85000 -0.87900 1.000 C17 C -7.55600 3.51300 -0.82900 1.000 N18 N 1.46800 -2.27600 0.16000 1.000 N19 N 2.27800 2.23800 1.16400 1.000 N20 N -0.64800 -3.16600 0.58400 1.000 N21 N 1.94100 -0.02300 0.63400 1.000 O22 O -2.06200 -2.40000 2.45600 1.000 O23 O -2.84700 -4.22700 0.94100 1.000 O24 O -0.13600 -1.07000 1.11100 1.000 O25 O 0.57600 4.46000 1.39100 1.000 O26 O -6.28400 3.12100 -1.34900 1.000 S27 S -2.18700 -2.99000 1.16900 1.000 S28 S -3.01200 -0.06400 0.43900 1.000 Br29 Br 6.13800 -0.34400 -1.30400 1.000 H30 H -3.81900 -3.08400 -1.32100 1.000 H31 H 3.88700 -2.25500 -0.89500 1.000 H32 H 4.62700 1.85400 0.02300 1.000 H33 H -3.75000 2.30600 -1.20900 1.000 H34 H -4.55600 1.51000 -2.58300 1.000 H35 H 0.91300 1.29800 2.45700 1.000 H36 H 0.23100 1.83900 0.90400 1.000 H37 H 1.66000 3.09400 -0.65400 1.000 H38 H 3.34700 3.43300 -0.19600 1.000 H39 H -4.39200 -1.02000 -3.71700 1.000 H40 H -5.56600 -2.05200 -2.86600 1.000 H41 H -5.78500 -0.28600 -2.88700 1.000 H42 H 2.58300 4.89100 1.63600 1.000 H43 H 1.86600 5.43000 0.09800 1.000 H44 H -0.53500 3.32300 2.71300 1.000 H45 H 1.15000 3.63300 3.19800 1.000 H46 H -6.54500 1.08000 -1.16600 1.000 H47 H -5.74000 1.87500 0.20700 1.000 H48 H -8.30700 2.77700 -1.11500 1.000 H49 H -7.50100 3.57200 0.25800 1.000 H50 H -7.82900 4.48800 -1.23300 1.000 H51 H 1.77200 -3.14300 -0.15200 1.000 H52 H -0.36700 -4.01400 0.20500 1.000