# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9QO' 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 -7.75400 0.19200 -0.95100 1.000 C1 C -5.78700 1.33000 -0.56000 1.000 C2 C -5.30200 0.21400 0.14700 1.000 C3 C -6.12700 -0.90300 0.26200 1.000 C4 C -5.65700 -2.12500 1.00800 1.000 C5 C -4.90400 -3.05000 0.05000 1.000 C6 C -3.80400 0.23500 2.13900 1.000 C7 C -1.42200 0.24300 1.89200 1.000 C8 C -2.81900 0.22900 -0.06200 1.000 C9 C 0.81600 0.21800 0.37700 1.000 C10 C 3.29100 0.20400 0.03500 1.000 C11 C -3.94900 0.22600 0.75300 1.000 C12 C -2.54300 0.24600 2.70100 1.000 C13 C -1.55800 0.22900 0.51000 1.000 N14 N -7.32800 -0.87600 -0.29300 1.000 C15 C 1.93300 0.20200 -0.66900 1.000 C16 C 8.13500 0.18800 0.44200 1.000 C17 C 6.27500 -1.00100 -0.22600 1.000 C18 C 6.29400 1.39100 -0.24800 1.000 C19 C 5.61400 0.18800 -0.47900 1.000 N20 N -7.00500 1.27600 -1.08700 1.000 C21 C 5.58700 -2.32100 -0.45900 1.000 N22 N 9.43600 0.18100 0.92300 1.000 N23 N 7.52100 -0.96500 0.22900 1.000 C24 C 5.84400 -2.78300 -1.89400 1.000 N25 N 7.53900 1.34800 0.21200 1.000 N26 N 5.67300 2.60800 -0.48700 1.000 O27 O 4.33400 0.18900 -0.94200 1.000 O28 O -0.45300 0.21700 -0.28100 1.000 N29 N -5.00900 2.46400 -0.70400 1.000 N30 N -9.01500 0.17100 -1.52000 1.000 H31 H -4.99400 -1.82300 1.81900 1.000 H32 H -6.51800 -2.65100 1.42100 1.000 H33 H -5.53900 -3.28200 -0.80500 1.000 H34 H -3.99700 -2.55400 -0.29500 1.000 H35 H -4.64000 -3.97200 0.56800 1.000 H36 H -4.67800 0.23700 2.77300 1.000 H37 H -0.43800 0.25200 2.33600 1.000 H38 H -2.92600 0.21800 -1.13700 1.000 H39 H 0.89800 -0.66600 1.01000 1.000 H40 H 0.90600 1.11400 0.99100 1.000 H41 H 3.38100 1.10000 0.64900 1.000 H42 H 3.37300 -0.68000 0.66800 1.000 H43 H -2.43200 0.25700 3.77500 1.000 H44 H 1.84300 -0.69400 -1.28300 1.000 H45 H 1.85000 1.08600 -1.30100 1.000 H46 H 5.97700 -3.06200 0.23800 1.000 H47 H 4.51400 -2.20400 -0.30100 1.000 H48 H 9.89600 1.01800 1.08700 1.000 H49 H 9.88400 -0.66200 1.09500 1.000 H50 H 5.45300 -2.04200 -2.59100 1.000 H51 H 6.91600 -2.90000 -2.05200 1.000 H52 H 5.34500 -3.73800 -2.06300 1.000 H53 H 4.76000 2.63100 -0.81700 1.000 H54 H 6.15000 3.43700 -0.32500 1.000 H55 H -4.12000 2.49500 -0.31700 1.000 H56 H -5.35100 3.22900 -1.19300 1.000 H57 H -9.57400 -0.61700 -1.43200 1.000 H58 H -9.34100 0.94500 -2.00500 1.000