# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'FD4' 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 0.91700 1.02000 -3.16100 1.000 C1 C 1.55300 -0.19700 -3.29300 1.000 C2 C 0.04200 1.45600 -4.14000 1.000 C3 C -0.20400 0.67300 -5.25300 1.000 C4 C 0.42000 -0.54900 -5.39300 1.000 C5 C 1.30300 -0.99400 -4.41000 1.000 C6 C 1.97700 -2.30400 -4.55400 1.000 N7 N 1.73200 -3.08700 -5.66100 1.000 N8 N 2.80100 -2.71800 -3.63300 1.000 C9 C 1.18100 1.87900 -1.95200 1.000 C10 C 0.17700 1.53100 -0.85000 1.000 C11 C 0.52000 2.29700 0.40100 1.000 O12 O -0.05200 3.33500 0.65300 1.000 N13 N 1.46400 1.82700 1.24100 1.000 C14 C 1.76600 2.53100 2.49500 1.000 C15 C 1.61400 1.54400 3.65900 1.000 C16 C 2.06100 -0.38100 2.08000 1.000 C17 C 2.20900 0.60200 0.91800 1.000 N18 N 2.35900 0.31900 3.33700 1.000 N19 N -1.17200 1.89200 -1.28900 1.000 S20 S -2.34500 0.72800 -1.40200 1.000 O21 O -3.55300 1.42300 -1.67600 1.000 O22 O -1.78800 -0.30200 -2.20600 1.000 C23 C -2.54800 0.02800 0.20100 1.000 C24 C -3.47600 0.58400 1.08000 1.000 C25 C -3.65800 0.06800 2.32600 1.000 C26 C -1.95800 -1.60900 1.84100 1.000 C27 C -2.90100 -1.04300 2.73600 1.000 C28 C -1.80200 -1.05100 0.56100 1.000 C29 C -3.06100 -1.60400 4.01400 1.000 C30 C -2.31100 -2.68100 4.37500 1.000 C31 C -1.38400 -3.23700 3.49600 1.000 C32 C -1.20100 -2.72000 2.25000 1.000 C33 C 3.30300 -0.15000 4.17700 1.000 O34 O 3.54400 0.43900 5.20900 1.000 C35 C 4.05900 -1.40700 3.83300 1.000 H36 H 2.23600 -0.53600 -2.52800 1.000 H37 H -0.44900 2.41200 -4.03500 1.000 H38 H -0.88800 1.01900 -6.01500 1.000 H39 H 0.22600 -1.15900 -6.26300 1.000 H40 H 2.17300 -3.94600 -5.75500 1.000 H41 H 1.11800 -2.77900 -6.34600 1.000 H42 H 3.24200 -3.57600 -3.72800 1.000 H43 H 1.07400 2.93000 -2.22200 1.000 H44 H 2.19300 1.69800 -1.59100 1.000 H45 H 0.21900 0.46200 -0.64500 1.000 H46 H 1.07100 3.36100 2.62500 1.000 H47 H 2.78900 2.90800 2.46600 1.000 H48 H 0.56000 1.30500 3.80000 1.000 H49 H 2.01600 1.98800 4.57000 1.000 H50 H 2.75600 -1.21000 1.94800 1.000 H51 H 1.03900 -0.75800 2.11100 1.000 H52 H 1.80700 0.15800 0.00800 1.000 H53 H 3.26300 0.84200 0.77700 1.000 H54 H -1.38000 2.81300 -1.51300 1.000 H55 H -4.05800 1.43800 0.76800 1.000 H56 H -4.38000 0.51000 2.99700 1.000 H57 H -1.09000 -1.47400 -0.13200 1.000 H58 H -3.77600 -1.18300 4.70600 1.000 H59 H -2.43600 -3.11000 5.35800 1.000 H60 H -0.80100 -4.09100 3.80800 1.000 H61 H -0.47900 -3.16100 1.58000 1.000 H62 H 4.77500 -1.62900 4.62500 1.000 H63 H 3.35900 -2.23600 3.73400 1.000 H64 H 4.59100 -1.26600 2.89200 1.000