# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CB3' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy N0 N 1.98200 0.67700 -6.20300 1.000 C1 C 3.11300 -0.03400 -5.95500 1.000 N2 N 4.22500 0.22400 -6.70700 1.000 N3 N 3.18700 -0.95800 -5.02100 1.000 C4 C 2.13700 -1.26500 -4.24700 1.000 O5 O 2.22500 -2.12400 -3.38600 1.000 C6 C 0.87200 -0.53700 -4.46100 1.000 C7 C -0.26400 -0.79600 -3.69900 1.000 C8 C -1.42000 -0.08600 -3.94100 1.000 C9 C -1.45600 0.87900 -4.93600 1.000 C10 C -0.33800 1.14600 -5.69900 1.000 C11 C 0.83400 0.44100 -5.46900 1.000 C12 C -2.65300 -0.36100 -3.12000 1.000 N13 N -2.65700 0.50600 -1.93900 1.000 C14 C -0.86600 -0.77600 1.59100 1.000 C15 C -0.95800 -1.64200 0.49700 1.000 C16 C -1.55000 -1.21500 -0.66800 1.000 C17 C -2.05800 0.07700 -0.76000 1.000 C18 C -1.96300 0.94400 0.32500 1.000 C19 C -1.37700 0.52100 1.49600 1.000 C20 C -0.23200 -1.23100 2.84200 1.000 O21 O 0.21100 -2.36000 2.92400 1.000 N22 N -0.14400 -0.39500 3.89600 1.000 C23 C 0.48500 -0.84700 5.13900 1.000 C24 C 1.12800 0.34600 5.84800 1.000 C25 C 2.18600 0.97100 4.93800 1.000 C26 C 2.81900 2.14700 5.63700 1.000 O27 O 2.46000 2.45400 6.74900 1.000 O28 O 3.78100 2.85400 5.02300 1.000 C29 C -0.55700 -1.46200 6.03600 1.000 O30 O -0.24900 -2.34300 6.80400 1.000 O31 O -1.82700 -1.03300 5.98100 1.000 C32 C -3.29100 1.82500 -2.00200 1.000 C33 C -4.67100 1.73000 -1.49900 1.000 C34 C -5.77200 1.65500 -1.09800 1.000 H35 H 1.98000 1.35100 -6.90000 1.000 H36 H 5.04500 -0.26800 -6.54600 1.000 H37 H 4.19300 0.89800 -7.40400 1.000 H38 H -0.23900 -1.54800 -2.92400 1.000 H39 H -2.36900 1.42800 -5.11600 1.000 H40 H -0.37600 1.90000 -6.47100 1.000 H41 H -3.54100 -0.16200 -3.72000 1.000 H42 H -2.65400 -1.40400 -2.80400 1.000 H43 H -0.56400 -2.64500 0.56700 1.000 H44 H -1.62200 -1.88400 -1.51300 1.000 H45 H -2.35800 1.94600 0.25100 1.000 H46 H -1.30800 1.19200 2.33900 1.000 H47 H -0.49800 0.50500 3.83100 1.000 H48 H 1.25100 -1.58800 4.91000 1.000 H49 H 0.36200 1.08700 6.07700 1.000 H50 H 1.59600 0.01000 6.77300 1.000 H51 H 2.95200 0.23000 4.70900 1.000 H52 H 1.71800 1.30700 4.01300 1.000 H53 H 4.18700 3.60800 5.47200 1.000 H54 H -2.49700 -1.42800 6.55600 1.000 H55 H -2.72800 2.52800 -1.38800 1.000 H56 H -3.30300 2.17400 -3.03500 1.000 H57 H -6.75600 1.58700 -0.73900 1.000