# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '0ZZ' 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 -5.77500 1.67500 0.04300 1.000 C1 C -6.97800 1.73200 0.73200 1.000 C2 C -7.80800 0.62800 0.76400 1.000 C3 C -7.44000 -0.53400 0.11100 1.000 C4 C -6.24100 -0.59400 -0.57700 1.000 O5 O -4.95700 2.76000 0.01000 1.000 C6 C -5.39800 3.92600 0.70700 1.000 Br7 Br -8.57800 -2.04300 0.15700 1.000 C8 C -5.40600 0.50600 -0.60800 1.000 C9 C -2.99000 0.08800 -0.40200 1.000 O10 O -3.23500 -0.09300 0.77200 1.000 C11 C -4.10100 0.44100 -1.35800 1.000 N12 N -1.72500 -0.02700 -0.85200 1.000 C13 C -0.64500 -0.37000 0.07700 1.000 C14 C 0.66400 0.14300 -0.46400 1.000 O15 O 0.76500 0.43000 -1.63800 1.000 C16 C -0.57200 -1.89000 0.23400 1.000 C17 C -1.84600 -2.39500 0.91500 1.000 C18 C -0.43900 -2.54000 -1.14500 1.000 N19 N 1.72400 0.28200 0.35700 1.000 C20 C 2.97600 0.84700 -0.15200 1.000 C21 C 4.15700 0.03600 0.38400 1.000 O22 O 4.22800 0.17900 1.80400 1.000 C23 C 3.10400 2.30100 0.30900 1.000 C24 C 2.01300 3.12600 -0.32200 1.000 O25 O 1.29900 2.63900 -1.16700 1.000 O26 O 1.83300 4.40200 0.05400 1.000 C27 C 5.45500 0.54800 -0.24500 1.000 S28 S 6.83600 -0.50600 0.27600 1.000 C29 C 8.26100 0.24700 -0.55700 1.000 C30 C 9.50800 -0.52900 -0.21900 1.000 C31 C 9.89800 -1.59100 -1.01300 1.000 C32 C 11.04200 -2.30200 -0.70300 1.000 C33 C 11.79600 -1.95100 0.40100 1.000 C34 C 11.40600 -0.88800 1.19500 1.000 C35 C 10.26500 -0.17400 0.88200 1.000 H36 H -7.26500 2.64000 1.24300 1.000 H37 H -8.74400 0.67300 1.30100 1.000 H38 H -5.95600 -1.50200 -1.08600 1.000 H39 H -4.65400 4.71600 0.60100 1.000 H40 H -6.34700 4.26200 0.28900 1.000 H41 H -5.53000 3.69000 1.76300 1.000 H42 H -4.16600 -0.32000 -2.13600 1.000 H43 H -3.89400 1.40900 -1.81300 1.000 H44 H -1.52900 0.11700 -1.79100 1.000 H45 H -0.84200 0.08600 1.04700 1.000 H46 H 0.29400 -2.15100 0.84400 1.000 H47 H -2.69800 -2.23400 0.25500 1.000 H48 H -1.74700 -3.45900 1.12800 1.000 H49 H -2.00000 -1.85000 1.84700 1.000 H50 H 0.46800 -2.18100 -1.63000 1.000 H51 H -0.38700 -3.62300 -1.03200 1.000 H52 H -1.30400 -2.27900 -1.75400 1.000 H53 H 1.65800 0.00800 1.28500 1.000 H54 H 2.97500 0.81100 -1.24100 1.000 H55 H 3.01300 2.34700 1.39500 1.000 H56 H 4.07600 2.69300 0.00900 1.000 H57 H 1.12100 4.89100 -0.38000 1.000 H58 H 5.36700 0.52200 -1.33100 1.000 H59 H 5.63700 1.57200 0.08000 1.000 H60 H 8.10300 0.22800 -1.63600 1.000 H61 H 8.37300 1.27800 -0.22500 1.000 H62 H 9.30900 -1.86500 -1.87600 1.000 H63 H 11.34700 -3.13200 -1.32300 1.000 H64 H 12.69000 -2.50700 0.64400 1.000 H65 H 11.99500 -0.61400 2.05800 1.000 H66 H 9.96200 0.65900 1.50000 1.000 H67 H 4.02100 -1.01500 0.13200 1.000 H68 H 4.34900 1.09100 2.10200 1.000