# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'J2D' 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 -6.15300 -1.00500 -1.29600 1.000 C1 C -7.03400 -2.23500 -1.06300 1.000 O2 O -7.17200 -2.46200 0.34100 1.000 C3 C -5.93800 -2.72000 1.01400 1.000 C4 C -5.01300 -1.51000 0.86400 1.000 C5 C -4.79400 -1.22500 -0.62500 1.000 C6 C -3.94700 0.01100 -0.78300 1.000 O7 O -4.38600 0.97500 -1.37400 1.000 N8 N -2.70300 0.04600 -0.26800 1.000 C9 C -1.88000 1.24800 -0.42100 1.000 C10 C -2.20700 2.22500 0.67900 1.000 O11 O -3.04500 1.94400 1.51000 1.000 N12 N -1.56800 3.41000 0.74000 1.000 O13 O -1.87500 4.32800 1.77400 1.000 C14 C -0.42200 0.87300 -0.34200 1.000 C15 C 0.49100 1.47500 -1.18900 1.000 C16 C 1.82700 1.13400 -1.12100 1.000 C17 C -0.00200 -0.06800 0.58000 1.000 C18 C 1.33100 -0.41600 0.65600 1.000 C19 C 2.25500 0.18300 -0.19800 1.000 C20 C 3.69000 -0.18800 -0.12100 1.000 C21 C 4.11700 -1.13900 0.80300 1.000 C22 C 5.45400 -1.48200 0.87200 1.000 F23 F 5.86900 -2.40500 1.76700 1.000 C24 C 6.37000 -0.87900 0.02300 1.000 F25 F 7.67700 -1.21600 0.09400 1.000 C26 C 5.94900 0.06900 -0.89700 1.000 F27 F 6.84500 0.65300 -1.72200 1.000 C28 C 4.61200 0.41200 -0.97600 1.000 H29 H -6.01100 -0.85700 -2.36700 1.000 H30 H -6.63400 -0.12600 -0.86800 1.000 H31 H -8.01700 -2.06600 -1.50200 1.000 H32 H -6.57300 -3.10600 -1.52900 1.000 H33 H -6.13100 -2.90100 2.07100 1.000 H34 H -5.46200 -3.59800 0.57600 1.000 H35 H -5.47000 -0.64100 1.33700 1.000 H36 H -4.05500 -1.72200 1.34000 1.000 H37 H -4.29200 -2.07400 -1.08900 1.000 H38 H -2.35200 -0.72500 0.20500 1.000 H39 H -2.08500 1.70800 -1.38800 1.000 H40 H -0.89800 3.63500 0.07600 1.000 H41 H -1.36700 5.14900 1.73500 1.000 H42 H 0.15800 2.21200 -1.90400 1.000 H43 H 2.53900 1.60500 -1.78300 1.000 H44 H -0.71900 -0.53200 1.24200 1.000 H45 H 1.65800 -1.15100 1.37700 1.000 H46 H 3.40400 -1.60900 1.46400 1.000 H47 H 4.28500 1.15000 -1.69300 1.000