# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CJ5' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy O0 O -3.61100 -0.16100 0.33200 1.000 C1 C -3.93800 0.38900 -0.70200 1.000 N2 N -5.24400 0.57500 -0.98200 1.000 C3 C -6.21700 0.23800 -0.03500 1.000 C4 C -5.94900 0.38400 1.32000 1.000 C5 C -6.91200 0.05200 2.25300 1.000 C6 C -8.14300 -0.42500 1.83800 1.000 C7 C -8.41200 -0.57100 0.49000 1.000 C8 C -9.75400 -1.09100 0.04300 1.000 F9 F -10.55000 -1.35400 1.16300 1.000 F10 F -10.38200 -0.13300 -0.76000 1.000 F11 F -9.57700 -2.27000 -0.69000 1.000 C12 C -7.45500 -0.23600 -0.44800 1.000 N13 N -2.99600 0.81600 -1.56600 1.000 C14 C -1.63900 0.71600 -1.22900 1.000 C15 C -1.18500 -0.37100 -0.49500 1.000 C16 C 0.15200 -0.47000 -0.16200 1.000 C17 C -0.74900 1.70100 -1.63400 1.000 C18 C 0.58800 1.60300 -1.30200 1.000 C19 C 1.04100 0.51800 -0.56300 1.000 N20 N 2.39700 0.41800 -0.22600 1.000 C21 C 3.13300 1.56300 0.02700 1.000 N22 N 2.51500 2.73500 0.06200 1.000 C23 C 3.18500 3.85200 0.30300 1.000 C24 C 4.54800 3.78900 0.51900 1.000 C25 C 5.17300 2.54100 0.47600 1.000 N26 N 6.53800 2.43000 0.68700 1.000 C27 C 7.17400 1.19200 0.52300 1.000 N28 N 8.42400 0.92300 0.81800 1.000 N29 N 8.66600 -0.42100 0.50600 1.000 C30 C 7.52500 -0.94900 0.01500 1.000 C31 C 7.33100 -2.37000 -0.44600 1.000 C32 C 8.62200 -2.89300 -1.10000 1.000 C33 C 9.08000 -4.10600 -0.26500 1.000 C34 C 7.78500 -4.60400 0.42200 1.000 C35 C 7.04800 -3.28400 0.76400 1.000 C36 C 6.58400 0.02200 0.01900 1.000 N37 N 4.43700 1.46000 0.23500 1.000 H38 H -5.50800 0.94100 -1.84000 1.000 H39 H -4.98900 0.75600 1.64500 1.000 H40 H -6.70500 0.16400 3.30600 1.000 H41 H -8.89300 -0.68800 2.56900 1.000 H42 H -7.66700 -0.35000 -1.50100 1.000 H43 H -3.25700 1.19300 -2.42000 1.000 H44 H -1.87700 -1.14000 -0.18300 1.000 H45 H 0.50500 -1.31600 0.40900 1.000 H46 H -1.10200 2.54500 -2.20900 1.000 H47 H 1.28000 2.36900 -1.61800 1.000 H48 H 2.82000 -0.45300 -0.17000 1.000 H49 H 2.67200 4.80200 0.32900 1.000 H50 H 5.11800 4.68500 0.71600 1.000 H51 H 7.05300 3.20900 0.94900 1.000 H52 H 9.50700 -0.89000 0.62200 1.000 H53 H 6.50500 -2.42400 -1.15500 1.000 H54 H 8.42300 -3.20000 -2.12700 1.000 H55 H 9.38900 -2.11800 -1.08600 1.000 H56 H 9.49100 -4.88100 -0.91100 1.000 H57 H 9.81400 -3.80000 0.48000 1.000 H58 H 7.19200 -5.21000 -0.26300 1.000 H59 H 8.01900 -5.16200 1.32900 1.000 H60 H 7.45400 -2.84600 1.67600 1.000 H61 H 5.97800 -3.46100 0.86800 1.000 H62 H 5.56100 -0.08200 -0.31400 1.000