# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9DJ' 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 -6.29300 2.31800 0.98500 1.000 C1 C -6.63000 1.05600 0.54300 1.000 C2 C -5.92900 -1.17000 -0.36300 1.000 C3 C -1.04500 -1.98300 0.48000 1.000 C4 C 1.40000 -2.39400 0.60500 1.000 C5 C 0.51100 -0.30200 -0.50700 1.000 C6 C 1.99900 1.49900 -1.07700 1.000 C7 C 0.73000 0.96200 -1.04100 1.000 C8 C 5.42400 0.59200 -0.04600 1.000 C9 C 6.70200 -0.05500 1.87700 1.000 C10 C 7.31600 -0.86100 -0.29500 1.000 O11 O -5.03000 -1.94900 -0.61000 1.000 O12 O -7.21200 -1.54700 -0.52800 1.000 C13 C -5.61500 0.18900 0.11900 1.000 N14 N -5.03600 2.71900 1.00900 1.000 C15 C -4.04600 1.94700 0.61600 1.000 C16 C -4.28800 0.65300 0.16400 1.000 N17 N -3.24100 -0.15900 -0.24900 1.000 C18 C -1.85700 0.30000 -0.10500 1.000 C19 C -0.90200 -0.82600 -0.50700 1.000 C20 C 3.06900 0.76900 -0.57500 1.000 C21 C 2.84900 -0.49100 -0.04100 1.000 C22 C 1.56900 -1.02600 -0.00400 1.000 C23 C 0.06200 -3.00400 0.19200 1.000 N24 N 4.36100 1.30200 -0.60900 1.000 C25 C 4.59900 2.60400 -1.23600 1.000 C26 C 6.26200 -0.16500 -0.85500 1.000 C27 C 7.53100 -0.81200 1.07000 1.000 C28 C 5.65000 0.64700 1.32400 1.000 H29 H -7.07100 2.99100 1.31400 1.000 H30 H -7.66300 0.74000 0.52500 1.000 H31 H -0.94500 -1.61100 1.49900 1.000 H32 H -2.02000 -2.45400 0.35500 1.000 H33 H 2.20900 -3.04000 0.26700 1.000 H34 H 1.43600 -2.31000 1.69100 1.000 H35 H 2.16000 2.48200 -1.49300 1.000 H36 H -0.10100 1.52900 -1.43200 1.000 H37 H 6.87800 -0.01300 2.94200 1.000 H38 H 7.96400 -1.45400 -0.92300 1.000 H39 H -7.36700 -2.44700 -0.84600 1.000 H40 H -3.03200 2.31700 0.65700 1.000 H41 H -3.42500 -1.03100 -0.63200 1.000 H42 H -1.69200 1.16300 -0.75000 1.000 H43 H -1.67300 0.58100 0.93200 1.000 H44 H -1.15700 -1.17300 -1.50800 1.000 H45 H 3.68000 -1.06100 0.34800 1.000 H46 H -0.11900 -3.91400 0.76400 1.000 H47 H 0.07800 -3.23700 -0.87300 1.000 H48 H 4.82600 2.46300 -2.29200 1.000 H49 H 3.70800 3.22400 -1.13500 1.000 H50 H 5.44000 3.09500 -0.74600 1.000 H51 H 6.08900 -0.21100 -1.92000 1.000 H52 H 8.35600 -1.35700 1.50500 1.000 H53 H 5.00300 1.23900 1.95500 1.000