# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'J8A' 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 -0.81700 4.88200 0.45900 1.000 C1 C 0.23100 4.03400 0.16200 1.000 C2 C -2.11400 4.40800 0.47600 1.000 C3 C 3.29700 0.29100 -1.51800 1.000 C4 C 4.35800 -0.57000 -1.72300 1.000 C5 C -4.82400 3.45000 0.40900 1.000 C6 C -6.10700 2.98300 0.42600 1.000 C7 C -1.32200 2.20600 -0.10800 1.000 C8 C 4.64900 1.58800 -0.01200 1.000 C9 C 8.14400 -3.92600 0.98000 1.000 C10 C 5.72800 -4.03900 1.07800 1.000 C11 C -9.83200 -4.37100 0.94900 1.000 C12 C -9.39100 -4.89300 -0.42000 1.000 C13 C 8.05200 -3.01400 -0.24500 1.000 C14 C 5.63600 -3.12700 -0.14700 1.000 C15 C 6.71600 -1.29400 -1.30400 1.000 N16 N -7.50400 0.93300 0.22300 1.000 N17 N -3.99700 1.26900 0.02900 1.000 N18 N 6.97400 -4.81500 1.01500 1.000 N19 N 2.37100 2.25200 -0.45700 1.000 N20 N -8.57600 -1.17000 0.01300 1.000 O21 O 0.89100 0.61200 -0.69100 1.000 O22 O -7.31200 -2.96700 -0.29100 1.000 C23 C 1.10700 1.78200 -0.44200 1.000 C24 C -8.42300 -2.49700 -0.16600 1.000 C25 C 3.44100 1.37600 -0.66300 1.000 C26 C -0.01500 2.69000 -0.12400 1.000 C27 C -2.37400 3.06800 0.18700 1.000 C28 C 5.56100 -0.35200 -1.07800 1.000 C29 C -3.76700 2.56000 0.20600 1.000 C30 C -7.46500 -0.34400 0.05600 1.000 C31 C 5.70700 0.72700 -0.22600 1.000 C32 C -6.33700 1.60100 0.24200 1.000 C33 C -5.22700 0.76900 0.04900 1.000 C34 C -9.63100 -3.39500 -0.21300 1.000 C35 C 7.02100 0.96000 0.47500 1.000 N36 N 6.80600 -2.23800 -0.18200 1.000 S37 S -5.80600 -0.88400 -0.15500 1.000 F38 F 6.92600 2.10300 1.27600 1.000 F39 F 7.32600 -0.14600 1.27500 1.000 F40 F 8.03100 1.14000 -0.47600 1.000 H41 H -0.62200 5.92100 0.68400 1.000 H42 H 1.24300 4.41100 0.15100 1.000 H43 H -2.92900 5.07500 0.71300 1.000 H44 H 2.35800 0.12300 -2.02500 1.000 H45 H 4.24600 -1.41400 -2.38700 1.000 H46 H -4.62800 4.50300 0.54800 1.000 H47 H -6.93400 3.66100 0.57900 1.000 H48 H -1.51900 1.16800 -0.33300 1.000 H49 H 4.76500 2.43100 0.65300 1.000 H50 H 9.05400 -4.52400 0.92100 1.000 H51 H 8.16700 -3.31800 1.88500 1.000 H52 H 5.72300 -3.43200 1.98400 1.000 H53 H 4.87600 -4.71800 1.09100 1.000 H54 H -10.85600 -4.57800 1.26000 1.000 H55 H -9.09000 -4.36200 1.74700 1.000 H56 H -8.35900 -5.22800 -0.52200 1.000 H57 H -10.12500 -5.44400 -1.00900 1.000 H58 H 8.90400 -2.33400 -0.25800 1.000 H59 H 8.05700 -3.62000 -1.15100 1.000 H60 H 5.61400 -3.73400 -1.05200 1.000 H61 H 4.72600 -2.52900 -0.08800 1.000 H62 H 6.55900 -1.84500 -2.23100 1.000 H63 H 7.64200 -0.72300 -1.37400 1.000 H64 H 6.97100 -5.44000 0.22300 1.000 H65 H 2.53700 3.19900 -0.32500 1.000 H66 H -9.46400 -0.79300 0.11300 1.000 H67 H -10.52300 -2.96100 -0.66600 1.000