# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9KU' 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 -5.01500 0.70800 -0.53500 1.000 C1 C 3.72500 -1.50700 1.07100 1.000 C2 C 5.01400 -1.55800 1.59400 1.000 C3 C 5.97500 -0.68600 1.18100 1.000 C4 C 5.66600 0.28400 0.21100 1.000 C5 C 4.35500 0.33900 -0.32500 1.000 C6 C 4.04600 1.30700 -1.29300 1.000 C7 C 5.00800 2.17900 -1.70400 1.000 C8 C 6.29700 2.12500 -1.17900 1.000 C9 C 6.63200 1.20000 -0.23900 1.000 C10 C -1.13700 -3.21500 0.77200 1.000 C11 C -4.20100 1.73500 0.12900 1.000 C12 C -2.27900 -4.17000 0.34400 1.000 C13 C -3.36200 -3.16700 -0.13400 1.000 C14 C -2.88800 1.41600 0.43800 1.000 C15 C -2.01800 2.40800 1.10700 1.000 C16 C -3.14300 -0.70200 -0.46500 1.000 C17 C -2.52800 -2.04100 -0.78100 1.000 C18 C -0.14100 -1.31600 -0.53400 1.000 C19 C 1.19700 -1.50800 0.13200 1.000 C20 C 3.38600 -0.58000 0.12700 1.000 N21 N -2.41100 0.19800 0.12300 1.000 N22 N -1.17500 -2.11700 -0.21100 1.000 N23 N -4.43600 -0.48200 -0.80500 1.000 O24 O -6.17900 0.92200 -0.82900 1.000 O25 O -4.71700 2.95300 0.43000 1.000 O26 O -0.74200 2.09200 1.40400 1.000 O27 O -2.45300 3.50600 1.38900 1.000 O28 O 2.12400 -0.54400 -0.37400 1.000 O29 O -0.28700 -0.44100 -1.36100 1.000 H30 H 2.98400 -2.21400 1.41400 1.000 H31 H 5.25700 -2.30000 2.34000 1.000 H32 H 6.97000 -0.73800 1.59700 1.000 H33 H 3.05100 1.36000 -1.70900 1.000 H34 H 4.76800 2.92400 -2.44900 1.000 H35 H 7.04200 2.82800 -1.52300 1.000 H36 H 7.63500 1.17000 0.16000 1.000 H37 H -1.32000 -2.83100 1.77600 1.000 H38 H -0.17600 -3.72800 0.73100 1.000 H39 H -1.96100 -4.81900 -0.47200 1.000 H40 H -2.63600 -4.75600 1.19100 1.000 H41 H -4.02000 -3.63100 -0.86900 1.000 H42 H -3.93400 -2.78600 0.71200 1.000 H43 H -2.48700 -2.18400 -1.86100 1.000 H44 H 1.08900 -1.37700 1.20900 1.000 H45 H 1.56700 -2.51100 -0.07700 1.000 H46 H -4.94700 -1.18100 -1.24300 1.000 H47 H -5.64100 3.06400 0.16900 1.000 H48 H -0.21200 2.77200 1.84200 1.000