# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '5QO' 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 4.30000 1.21000 0.03900 1.000 N1 N 4.92200 -0.08200 -0.13600 1.000 C2 C 4.27600 -1.26900 -0.17200 1.000 O3 O 4.87600 -2.32300 -0.23400 1.000 C4 C 2.80600 -1.19600 -0.13100 1.000 C5 C 1.82300 -2.18000 0.07200 1.000 C6 C 0.62100 -1.55500 0.01600 1.000 N7 N 0.84200 -0.21500 -0.25100 1.000 C8 C 2.16200 0.01900 -0.27500 1.000 C9 C 2.85700 1.34900 -0.41500 1.000 C10 C 2.11100 2.35200 0.46900 1.000 C11 C 1.30600 3.33800 -0.32000 1.000 C12 C 0.00700 3.46300 -0.31700 1.000 C13 C -0.93200 2.64100 0.51000 1.000 C14 C -1.30100 3.45800 1.76000 1.000 N15 N -2.18500 2.35000 -0.23600 1.000 C16 C -2.54800 0.99700 -0.22700 1.000 N17 N -1.58100 0.14300 0.08900 1.000 C18 C -1.81500 -1.16500 0.10200 1.000 C19 C -0.73800 -2.09600 0.20300 1.000 C20 C -1.02300 -3.41400 0.48800 1.000 C21 C -2.34700 -3.84300 0.50800 1.000 C22 C -3.38700 -2.99300 0.25400 1.000 C23 C -3.14300 -1.63700 -0.00800 1.000 N24 N -4.09500 -0.77200 -0.38200 1.000 C25 C -3.82900 0.51400 -0.51100 1.000 C26 C -4.91100 1.45400 -0.97400 1.000 H27 H 4.34600 1.46300 1.09700 1.000 H28 H 4.89400 1.93900 -0.50800 1.000 H29 H 5.88700 -0.10000 -0.24200 1.000 H30 H 1.98900 -3.23000 0.25000 1.000 H31 H 0.20500 0.49600 -0.42100 1.000 H32 H 2.82000 1.67900 -1.45000 1.000 H33 H 1.46900 1.81600 1.15500 1.000 H34 H 2.85300 2.90700 1.04900 1.000 H35 H 1.85600 4.04000 -0.96300 1.000 H36 H -0.41600 4.23100 -0.97400 1.000 H37 H -0.44800 1.72700 0.82100 1.000 H38 H -1.78200 4.38800 1.45800 1.000 H39 H -1.98600 2.88100 2.38200 1.000 H40 H -0.39800 3.68300 2.32700 1.000 H41 H -2.69600 3.04600 -0.70600 1.000 H42 H -0.21500 -4.11000 0.66700 1.000 H43 H -2.56100 -4.88000 0.73000 1.000 H44 H -4.40100 -3.37200 0.26700 1.000 H45 H -5.45400 1.83700 -0.11000 1.000 H46 H -4.46100 2.28500 -1.51800 1.000 H47 H -5.60000 0.92100 -1.63000 1.000