# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CB1' 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 -0.11800 -1.37300 -0.04700 1.000 C1 C 1.10100 -0.72500 -0.01400 1.000 C2 C 1.15400 0.66700 -0.08600 1.000 C3 C -0.02800 1.40000 -0.20200 1.000 C4 C -1.24600 0.74000 -0.24000 1.000 C5 C -1.28800 -0.64700 -0.16200 1.000 N6 N 2.35100 -1.50800 0.10900 1.000 O7 O 3.43000 -0.95100 0.01200 1.000 O8 O 2.30200 -2.70900 0.30700 1.000 C9 C 2.45700 1.36400 -0.04500 1.000 N10 N 2.79500 2.22000 -1.02900 1.000 O11 O 3.22500 1.16300 0.87600 1.000 N12 N -2.43200 1.47000 -0.35700 1.000 C13 C -3.06700 1.45800 0.96800 1.000 C14 C -2.27400 2.67000 0.47500 1.000 N15 N -2.59100 -1.34900 -0.20200 1.000 O16 O -3.62300 -0.71200 -0.30400 1.000 O17 O -2.62900 -2.56500 -0.13400 1.000 H18 H -0.15600 -2.45000 0.01300 1.000 H19 H 0.00700 2.47800 -0.26200 1.000 H20 H 3.65000 2.67700 -1.00300 1.000 H21 H 2.18400 2.37700 -1.76700 1.000 H22 H -4.15300 1.54700 1.00900 1.000 H23 H -2.61400 0.83700 1.74000 1.000 H24 H -1.29600 2.84900 0.92200 1.000 H25 H -2.83500 3.56000 0.19100 1.000