# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CBB' 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 -5.46600 0.27800 -1.19300 1.000 C1 C -4.09600 0.16800 -1.26100 1.000 C2 C -3.29300 1.05600 -0.54900 1.000 C3 C -3.89700 2.05900 0.23300 1.000 C4 C -5.29500 2.15100 0.28500 1.000 C5 C -6.06000 1.27300 -0.42500 1.000 N6 N -1.93200 1.19600 -0.41900 1.000 C7 C -1.67300 2.26100 0.42300 1.000 C8 C -2.85200 2.79900 0.83600 1.000 C9 C -0.92200 0.35600 -1.06700 1.000 C10 C -0.69000 -0.88000 -0.23700 1.000 C11 C 0.19600 -0.84200 0.82600 1.000 C12 C 0.41400 -1.97200 1.59200 1.000 C13 C -0.25100 -3.14600 1.30100 1.000 C14 C -1.14500 -3.19100 0.23200 1.000 C15 C -1.36500 -2.04600 -0.53400 1.000 C16 C -1.86100 -4.44700 -0.08600 1.000 N17 N -2.77900 -4.45800 -1.01000 1.000 N18 N -1.55800 -5.60500 0.59700 1.000 C19 C -0.33800 2.73200 0.81400 1.000 O20 O 0.76200 2.14900 0.29600 1.000 C21 C 2.04700 2.60700 0.79200 1.000 C22 C 3.15200 1.93200 0.02200 1.000 C23 C 3.70600 2.55700 -1.08000 1.000 C24 C 4.72200 1.94400 -1.79300 1.000 C25 C 5.18800 0.70400 -1.40600 1.000 C26 C 4.63400 0.06900 -0.29500 1.000 C27 C 3.61400 0.69400 0.42200 1.000 C28 C 5.12900 -1.26200 0.12500 1.000 N29 N 4.60900 -1.85300 1.16200 1.000 N30 N 6.14000 -1.87500 -0.58300 1.000 O31 O -0.22500 3.64900 1.60500 1.000 H32 H -6.08600 -0.41200 -1.74600 1.000 H33 H -3.64400 -0.60600 -1.86400 1.000 H34 H -5.76500 2.91800 0.88300 1.000 H35 H -7.13600 1.34600 -0.38400 1.000 H36 H -2.96900 3.64200 1.50000 1.000 H37 H -1.27100 0.06700 -2.05800 1.000 H38 H 0.01000 0.91300 -1.15800 1.000 H39 H 0.71900 0.07400 1.05700 1.000 H40 H 1.10700 -1.93600 2.42000 1.000 H41 H -0.07900 -4.02800 1.90100 1.000 H42 H -2.05900 -2.07400 -1.36100 1.000 H43 H -3.24800 -5.28100 -1.21800 1.000 H44 H -0.87400 -5.59700 1.28500 1.000 H45 H -2.02700 -6.42800 0.38900 1.000 H46 H 2.12200 3.68700 0.66500 1.000 H47 H 2.13700 2.35900 1.85000 1.000 H48 H 3.34500 3.52700 -1.38700 1.000 H49 H 5.15000 2.43700 -2.65300 1.000 H50 H 5.98100 0.22700 -1.96300 1.000 H51 H 3.18100 0.20700 1.28300 1.000 H52 H 3.89800 -1.42100 1.66000 1.000 H53 H 6.52700 -1.43500 -1.35600 1.000 H54 H 6.46500 -2.74700 -0.30800 1.000