# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9KX' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy O0 O -4.97800 -3.47400 -0.87000 1.000 C1 C -5.13800 -2.07700 -0.61700 1.000 C2 C -6.39300 -1.84900 0.19400 1.000 C3 C -6.70400 -0.45100 0.67800 1.000 C4 C -5.50300 0.06800 1.47900 1.000 C5 C -4.24700 -0.16000 0.66800 1.000 C6 C -3.43200 0.85000 0.38500 1.000 C7 C -2.15300 0.59500 -0.29600 1.000 C8 C -1.29200 1.58900 -0.48700 1.000 C9 C -7.19700 -2.84500 0.47200 1.000 C10 C 0.02600 1.38900 -1.17400 1.000 C11 C 1.10300 1.84400 -0.14900 1.000 C12 C 0.94300 3.33300 0.05100 1.000 C13 C -0.39400 3.56300 0.77500 1.000 C14 C -1.57600 3.01200 -0.03000 1.000 C15 C 0.45400 -0.05800 -1.43400 1.000 C16 C 2.00000 0.05600 -1.54200 1.000 C17 C 2.40000 1.33200 -0.75700 1.000 C18 C 0.85800 1.13700 1.18600 1.000 C19 C 3.40300 0.98700 0.34500 1.000 C20 C 3.81300 2.26400 1.08100 1.000 O21 O 4.96200 0.64500 -1.39500 1.000 C22 C 4.62200 0.34700 -0.26800 1.000 C23 C 5.36700 -0.59600 0.46600 1.000 C24 C 6.46500 -1.17200 -0.08600 1.000 C25 C 7.23800 -2.15000 0.67500 1.000 C26 C 8.31900 -2.71700 0.13200 1.000 C27 C 9.11600 -3.72600 0.91700 1.000 O28 O -6.93900 0.40400 -0.44300 1.000 C29 C -3.93700 -1.55800 0.18400 1.000 H30 H -5.70300 -3.86900 -1.37300 1.000 H31 H -5.20700 -1.54000 -1.56300 1.000 H32 H -7.58700 -0.47200 1.31600 1.000 H33 H -5.62500 1.13400 1.67100 1.000 H34 H -5.43100 -0.47100 2.42300 1.000 H35 H -3.70800 1.85900 0.65500 1.000 H36 H -1.91400 -0.40000 -0.64000 1.000 H37 H -8.09200 -2.67100 1.05200 1.000 H38 H -6.96600 -3.84000 0.12200 1.000 H39 H 0.08000 1.98500 -2.08500 1.000 H40 H 1.76300 3.71500 0.65900 1.000 H41 H 0.93300 3.83700 -0.91500 1.000 H42 H -0.36200 3.06900 1.74600 1.000 H43 H -0.53800 4.63300 0.92500 1.000 H44 H -1.74400 3.64300 -0.90300 1.000 H45 H -2.47000 3.01800 0.59400 1.000 H46 H 0.17000 -0.70000 -0.59900 1.000 H47 H 0.02700 -0.42500 -2.36700 1.000 H48 H 2.47200 -0.82100 -1.09600 1.000 H49 H 2.29700 0.15000 -2.58600 1.000 H50 H 2.82100 2.07600 -1.43300 1.000 H51 H 1.02100 0.06600 1.06600 1.000 H52 H 1.54600 1.52800 1.93600 1.000 H53 H -0.16900 1.31500 1.50800 1.000 H54 H 2.94500 0.29300 1.05000 1.000 H55 H 2.94900 2.67500 1.60300 1.000 H56 H 4.59700 2.03200 1.80300 1.000 H57 H 4.18500 2.99400 0.36200 1.000 H58 H 5.06500 -0.86100 1.46900 1.000 H59 H 6.76800 -0.90700 -1.08900 1.000 H60 H 6.93600 -2.41500 1.67800 1.000 H61 H 8.62100 -2.45200 -0.87100 1.000 H62 H 9.95500 -4.07600 0.31500 1.000 H63 H 9.49300 -3.26200 1.82900 1.000 H64 H 8.47800 -4.57100 1.17700 1.000 H65 H -7.67700 0.12600 -1.00200 1.000 H66 H -3.75700 -2.21000 1.03900 1.000 H67 H -3.05300 -1.53600 -0.45500 1.000