# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CDU' 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 1.34000 0.50400 -7.21700 1.000 C1 C 0.15600 0.43700 -8.18400 1.000 C2 C -0.84500 -0.60800 -7.69000 1.000 C3 C -1.34500 -0.21800 -6.29800 1.000 C4 C -0.16100 -0.15000 -5.33100 1.000 C5 C 0.84000 0.89400 -5.82500 1.000 N6 N -0.64000 0.22300 -3.99800 1.000 C7 C 0.01100 -0.21200 -2.90100 1.000 O8 O 0.99600 -0.91500 -3.01900 1.000 N9 N -0.42900 0.13100 -1.67500 1.000 C10 C 0.27800 -0.34200 -0.48300 1.000 C11 C -0.42100 0.18700 0.76900 1.000 C12 C 0.31800 -0.30700 2.01400 1.000 C13 C -0.38200 0.22100 3.26700 1.000 C14 C 0.35700 -0.27200 4.51200 1.000 C15 C -0.34300 0.25600 5.76500 1.000 C16 C 0.39600 -0.23800 7.01000 1.000 C17 C -0.30400 0.29100 8.26300 1.000 C18 C 0.43500 -0.20300 9.50800 1.000 C19 C -0.26500 0.32500 10.76100 1.000 H20 H 1.82600 -0.47000 -7.16900 1.000 H21 H 2.05400 1.24900 -7.56900 1.000 H22 H 0.51300 0.15900 -9.17600 1.000 H23 H -0.32800 1.41100 -8.23200 1.000 H24 H -0.35900 -1.58300 -7.64200 1.000 H25 H -1.68800 -0.65600 -8.37900 1.000 H26 H -2.05900 -0.96200 -5.94600 1.000 H27 H -1.83100 0.75600 -6.34600 1.000 H28 H 0.32400 -1.12500 -5.28300 1.000 H29 H 0.35500 1.86900 -5.87300 1.000 H30 H 1.68400 0.94300 -5.13600 1.000 H31 H -1.42500 0.78400 -3.90400 1.000 H32 H -1.21500 0.69200 -1.58100 1.000 H33 H 1.30700 0.01800 -0.50400 1.000 H34 H 0.27600 -1.43200 -0.46800 1.000 H35 H -1.44900 -0.17300 0.79000 1.000 H36 H -0.41800 1.27600 0.75400 1.000 H37 H 1.34600 0.05300 1.99300 1.000 H38 H 0.31500 -1.39700 2.02900 1.000 H39 H -1.41000 -0.13800 3.28800 1.000 H40 H -0.37900 1.31100 3.25200 1.000 H41 H 1.38500 0.08700 4.49100 1.000 H42 H 0.35400 -1.36200 4.52700 1.000 H43 H -1.37100 -0.10400 5.78600 1.000 H44 H -0.34000 1.34600 5.75000 1.000 H45 H 1.42400 0.12200 6.98900 1.000 H46 H 0.39300 -1.32800 7.02500 1.000 H47 H -1.33200 -0.06900 8.28400 1.000 H48 H -0.30100 1.38100 8.24800 1.000 H49 H 1.46300 0.15700 9.48700 1.000 H50 H 0.43200 -1.29300 9.52300 1.000 H51 H 0.26100 -0.02600 11.64800 1.000 H52 H -0.26200 1.41500 10.74600 1.000 H53 H -1.29300 -0.03400 10.78200 1.000