# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CB4' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy B0 B -2.54000 -3.33200 0.27600 1.000 O1 O -2.63400 -2.51200 1.43200 1.000 O2 O -2.94700 -4.69100 0.33500 1.000 C3 C -1.98600 -2.73600 -1.06700 1.000 N4 N -1.63800 -1.32700 -0.86800 1.000 C5 C -0.37100 -0.98200 -0.56700 1.000 O6 O 0.50300 -1.82600 -0.55800 1.000 C7 C -0.04300 0.42700 -0.24700 1.000 N8 N 1.19900 0.78700 -0.08600 1.000 O9 O 2.22500 -0.19000 -0.08600 1.000 C10 C 3.45800 0.50600 0.10900 1.000 C11 C -1.12500 1.42600 -0.11000 1.000 C12 C -0.82900 2.75900 -0.00900 1.000 S13 S -2.47000 3.45500 0.12700 1.000 C14 C -3.37700 1.91800 0.03700 1.000 N15 N -4.74400 1.70400 0.08200 1.000 N16 N -2.40000 1.04000 -0.08900 1.000 C17 C 3.66300 1.50900 -1.02800 1.000 C18 C 3.41700 1.25000 1.44500 1.000 C19 C 4.59600 -0.48200 0.11900 1.000 O20 O 4.37400 -1.66100 -0.02700 1.000 O21 O 5.85600 -0.05300 0.28900 1.000 H22 H -2.31100 -1.63600 1.18000 1.000 H23 H -3.25100 -4.85300 1.23800 1.000 H24 H -2.74900 -2.81600 -1.84200 1.000 H25 H -1.09900 -3.29000 -1.37200 1.000 H26 H -2.32000 -0.64200 -0.95400 1.000 H27 H 0.13100 3.25400 -0.01100 1.000 H28 H -5.35000 2.45700 0.17500 1.000 H29 H -5.09700 0.80300 0.02000 1.000 H30 H 4.60300 2.03900 -0.87900 1.000 H31 H 3.69200 0.97800 -1.98000 1.000 H32 H 2.84000 2.22300 -1.03500 1.000 H33 H 2.59400 1.96500 1.43800 1.000 H34 H 3.27100 0.53500 2.25500 1.000 H35 H 4.35800 1.78100 1.59400 1.000 H36 H 6.58600 -0.68700 0.29500 1.000