# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '0J3' 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 4.83700 1.93100 -0.28100 1.000 C1 C 5.29500 3.37000 -0.53000 1.000 N2 N 4.64600 4.26300 0.44000 1.000 C3 C 5.11900 5.64500 0.28200 1.000 C4 C 3.18300 4.19000 0.32000 1.000 C5 C 2.72400 2.75200 0.56900 1.000 N6 N 3.37400 1.85900 -0.40100 1.000 C7 C 2.92300 0.54400 -0.25000 1.000 C8 C 1.57300 0.25800 -0.32900 1.000 C9 C 1.17100 -1.07900 -0.17100 1.000 C10 C 3.83700 -0.49200 -0.02500 1.000 N11 N 3.44600 -1.73400 0.11900 1.000 C12 C 2.15300 -2.07300 0.06000 1.000 C13 C 1.75100 -3.41000 0.21800 1.000 C14 C 0.43100 -3.73900 0.14800 1.000 C15 C 0.01800 -5.17800 0.31900 1.000 F16 F 0.92500 -5.82700 1.16300 1.000 F17 F -1.26200 -5.23100 0.88200 1.000 F18 F 0.00500 -5.81100 -0.92800 1.000 C19 C -0.54100 -2.77000 -0.07800 1.000 C20 C -0.19000 -1.44600 -0.23800 1.000 N21 N -1.16900 -0.48100 -0.46400 1.000 C22 C -2.57900 -0.87100 -0.53300 1.000 C23 C -3.42600 0.35000 -0.78500 1.000 C24 C -3.91500 1.08300 0.28000 1.000 C25 C -3.71000 0.73900 -2.08000 1.000 C26 C -4.48600 1.85900 -2.31100 1.000 C27 C -4.97900 2.59000 -1.24600 1.000 C28 C -4.68700 2.20600 0.05000 1.000 N29 N -5.21500 2.98900 1.19000 1.000 O30 O -5.90600 3.97000 0.98700 1.000 O31 O -4.95700 2.65000 2.33200 1.000 H32 H 5.29500 1.27100 -1.01800 1.000 H33 H 5.13500 1.62200 0.72000 1.000 H34 H 6.37700 3.43200 -0.41400 1.000 H35 H 5.02100 3.67000 -1.54100 1.000 H36 H 4.88900 5.99500 -0.72500 1.000 H37 H 4.62300 6.28400 1.01100 1.000 H38 H 6.19700 5.68000 0.44100 1.000 H39 H 2.72500 4.85100 1.05700 1.000 H40 H 2.88400 4.50000 -0.68100 1.000 H41 H 2.99900 2.45200 1.58000 1.000 H42 H 1.64200 2.69000 0.45300 1.000 H43 H 0.84900 1.03900 -0.50600 1.000 H44 H 4.89100 -0.26200 0.03000 1.000 H45 H 2.49000 -4.17800 0.39400 1.000 H46 H -1.58100 -3.05800 -0.12900 1.000 H47 H -0.91700 0.44800 -0.57600 1.000 H48 H -2.72000 -1.58400 -1.34500 1.000 H49 H -2.87600 -1.33100 0.41000 1.000 H50 H -3.69300 0.77900 1.29300 1.000 H51 H -3.32500 0.16900 -2.91200 1.000 H52 H -4.70800 2.16400 -3.32300 1.000 H53 H -5.58600 3.46600 -1.42600 1.000