# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CB9' 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 -0.67200 -2.28800 0.47000 1.000 N1 N 0.51300 -0.28700 -0.22400 1.000 O2 O 0.01200 -2.85600 -0.34600 1.000 C3 C -0.52000 -0.80300 0.67700 1.000 C4 C -1.85000 -0.10700 0.37900 1.000 C5 C -5.14200 -1.47200 -1.34200 1.000 C6 C -4.75500 1.01300 -1.37400 1.000 O7 O -3.87800 1.82800 1.62600 1.000 O8 O 1.68500 2.21000 -0.53600 1.000 O9 O 2.12200 -0.81400 1.21000 1.000 O10 O -5.98900 1.39100 1.13800 1.000 O11 O 3.45500 2.34100 -1.85400 1.000 C12 C 6.71400 -0.30600 1.01300 1.000 C13 C 6.43500 -0.91400 -0.19600 1.000 C14 C 5.75000 0.46100 1.64100 1.000 C15 C 5.19200 -0.75300 -0.77900 1.000 C16 C 4.50800 0.62200 1.05700 1.000 N17 N -2.93000 -0.60500 1.27700 1.000 S18 S -2.50700 -0.60900 -1.26600 1.000 C19 C -4.69300 1.04700 1.19400 1.000 C20 C 2.62700 1.65500 -1.05000 1.000 C21 C 1.81000 -0.34000 0.13800 1.000 C22 C 4.22800 0.01500 -0.15300 1.000 C23 C -4.25300 -0.31300 0.71700 1.000 C24 C 2.87300 0.19100 -0.78900 1.000 C25 C -4.26800 -0.32900 -0.82300 1.000 H26 H -1.39600 -2.84200 1.04800 1.000 H27 H 0.26400 0.09200 -1.08100 1.000 H28 H -0.23200 -0.60800 1.71000 1.000 H29 H -1.74900 0.97600 0.44900 1.000 H30 H -5.10600 -1.49200 -2.43100 1.000 H31 H -4.77200 -2.42000 -0.94900 1.000 H32 H -6.17000 -1.32100 -1.01500 1.000 H33 H -5.78000 1.18800 -1.04800 1.000 H34 H -4.11400 1.81200 -1.00400 1.000 H35 H -4.72000 0.99300 -2.46400 1.000 H36 H -6.22300 2.27400 1.45500 1.000 H37 H 3.25600 3.27800 -1.99100 1.000 H38 H 7.68400 -0.43500 1.47100 1.000 H39 H 7.18800 -1.51300 -0.68600 1.000 H40 H 5.96900 0.93600 2.58600 1.000 H41 H 4.97300 -1.22700 -1.72500 1.000 H42 H 3.75500 1.22200 1.54700 1.000 H43 H -2.82300 -1.59200 1.45700 1.000 H44 H -4.96100 -1.05800 1.08100 1.000 H45 H 2.84000 -0.35700 -1.73100 1.000