# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '95D' 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 -2.20300 1.32700 -1.72600 1.000 C1 C 3.20100 0.62300 0.43200 1.000 C2 C 1.23400 1.92000 0.15700 1.000 N3 N 3.07800 -0.02500 -0.68400 1.000 C4 C 4.96900 -1.02400 -0.03900 1.000 C5 C -6.41900 -3.47100 -0.03300 1.000 C6 C -2.87200 1.47900 1.84700 1.000 C7 C -4.37900 -0.37600 1.93800 1.000 C8 C 4.01100 -0.91600 -0.96400 1.000 C9 C -4.24600 -0.58600 0.57800 1.000 C10 C -1.94800 1.96400 -0.57200 1.000 C11 C -5.75500 -2.40900 0.80400 1.000 C12 C -3.58900 -0.60600 -2.54000 1.000 C13 C -3.69300 0.65500 2.56400 1.000 C14 C -2.72200 1.28700 0.47200 1.000 C15 C -3.41400 0.24600 -0.17100 1.000 N16 N 2.31500 1.59100 0.89200 1.000 N17 N -7.25600 -4.35800 0.54100 1.000 N18 N -3.08100 0.30100 -1.50800 1.000 N19 N 0.37500 2.85700 0.60400 1.000 O20 O -0.32800 3.63600 -1.63000 1.000 O21 O -1.61600 4.30300 0.40600 1.000 O22 O 1.03300 1.37000 -0.90800 1.000 O23 O -4.92300 -1.59800 -0.02700 1.000 O24 O -6.20200 -3.52800 -1.22500 1.000 S25 S -0.88300 3.35100 -0.35300 1.000 S26 S 4.60700 0.11100 1.25800 1.000 Br27 Br 6.45400 -2.19300 -0.11100 1.000 H28 H -1.78100 1.58900 -2.68500 1.000 H29 H -2.34200 2.27800 2.34300 1.000 H30 H -5.02300 -1.02100 2.51800 1.000 H31 H 4.00200 -1.50800 -1.86700 1.000 H32 H -6.51700 -1.78700 1.27300 1.000 H33 H -5.14700 -2.88300 1.57600 1.000 H34 H -4.50400 -0.19500 -2.96700 1.000 H35 H -2.84100 -0.71900 -3.32500 1.000 H36 H -3.80000 -1.57900 -2.09700 1.000 H37 H -3.80700 0.80500 3.62700 1.000 H38 H 2.47400 2.03000 1.74300 1.000 H39 H -7.68300 -5.04200 0.00200 1.000 H40 H -7.43000 -4.31300 1.49500 1.000 H41 H 0.49400 3.24300 1.48600 1.000