# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'C1K' 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 -2.86400 -0.03600 -1.35100 1.000 C1 C -4.23700 -0.60300 -0.98400 1.000 C2 C -4.85600 0.24300 0.13200 1.000 C3 C -3.94500 0.21000 1.36100 1.000 C4 C -2.57200 0.77700 0.99400 1.000 C5 C -1.95400 -0.06800 -0.12200 1.000 N6 N -0.63600 0.47600 -0.47400 1.000 C7 C 0.40700 -0.05000 0.41700 1.000 C8 C 0.93500 -1.39500 -0.12400 1.000 O9 O 0.30800 -2.48700 0.55100 1.000 C10 C 2.45100 -1.36200 0.19100 1.000 O11 O 3.17000 -2.22800 -0.68900 1.000 C12 C 2.82300 0.11900 -0.07200 1.000 O13 O 4.00100 0.47500 0.65400 1.000 C14 C 1.60700 0.91200 0.45000 1.000 C15 C 1.33900 2.11600 -0.45500 1.000 O16 O 2.40700 3.05700 -0.32600 1.000 H17 H -2.42300 -0.63800 -2.14500 1.000 H18 H -2.97600 0.99300 -1.69400 1.000 H19 H -4.88600 -0.58000 -1.85900 1.000 H20 H -4.12500 -1.63100 -0.64100 1.000 H21 H -1.84200 -1.09700 0.22100 1.000 H22 H -4.96700 1.27100 -0.21100 1.000 H23 H -5.83400 -0.16100 0.39400 1.000 H24 H -4.38600 0.81200 2.15500 1.000 H25 H -3.83400 -0.81800 1.70400 1.000 H26 H -2.68400 1.80600 0.65100 1.000 H27 H -1.92400 0.75400 1.86900 1.000 H28 H -0.41400 0.28900 -1.44100 1.000 H29 H 0.00600 -0.18300 1.42200 1.000 H30 H 0.76800 -1.46500 -1.19900 1.000 H31 H 1.79000 1.24600 1.47200 1.000 H32 H 0.60300 -3.35700 0.25000 1.000 H33 H 2.63600 -1.63000 1.23100 1.000 H34 H 4.12500 -2.24300 -0.53300 1.000 H35 H 2.96500 0.29300 -1.13800 1.000 H36 H 4.78500 -0.03500 0.40600 1.000 H37 H 1.27100 1.78400 -1.49100 1.000 H38 H 0.40100 2.58900 -0.16300 1.000 H39 H 2.30300 3.84700 -0.87400 1.000