# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CKB' 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 1.49800 -0.19100 -1.06400 1.000 C1 C 3.76000 -0.24700 -0.48400 1.000 C2 C 3.40600 -0.04300 0.87200 1.000 C3 C 2.10200 0.08000 1.19900 1.000 C4 C 4.47000 0.03700 1.93600 1.000 N5 N 1.14800 0.00400 0.22000 1.000 N6 N 2.79100 -0.31600 -1.41800 1.000 C7 C -0.26700 0.13600 0.57500 1.000 C8 C -0.83700 1.40600 -0.06300 1.000 C9 C -2.33000 1.50500 0.26200 1.000 C10 C -3.03500 0.23900 -0.23400 1.000 C11 C -2.38100 -0.98600 0.41000 1.000 C12 C -3.04000 -2.25800 -0.12600 1.000 O13 O -2.51000 -3.39500 0.55900 1.000 O14 O -0.15700 2.54900 0.46000 1.000 O15 O -2.88600 2.64800 -0.39000 1.000 O16 O -4.41700 0.28800 0.12800 1.000 O17 O -0.98700 -1.00100 0.09400 1.000 O18 O 0.63400 -0.26100 -1.91700 1.000 O19 O 4.93000 -0.36000 -0.80300 1.000 H20 H 1.81200 0.23600 2.22700 1.000 H21 H 5.45200 -0.08300 1.47700 1.000 H22 H 4.41700 1.00700 2.43000 1.000 H23 H 4.31200 -0.75400 2.66800 1.000 H24 H 3.02600 -0.45600 -2.34900 1.000 H25 H -0.36600 0.19700 1.65800 1.000 H26 H -0.70100 1.36300 -1.14400 1.000 H27 H -2.46400 1.59800 1.34000 1.000 H28 H -2.94400 0.17200 -1.31900 1.000 H29 H -2.50800 -0.93900 1.49200 1.000 H30 H -4.11600 -2.20500 0.03500 1.000 H31 H -2.83600 -2.35100 -1.19300 1.000 H32 H -2.88400 -4.23800 0.27000 1.000 H33 H -0.46800 3.39000 0.09800 1.000 H34 H -3.83200 2.77300 -0.22800 1.000 H35 H -4.89400 1.04300 -0.24200 1.000