# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '0QK' 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 9.42500 -0.34600 1.82500 1.000 C1 C 7.57500 -0.48100 0.46300 1.000 C2 C 8.20100 -1.52200 -0.24700 1.000 C3 C 9.47900 -1.93800 0.15500 1.000 C4 C -11.86700 -1.52600 -0.90100 1.000 C5 C -11.45000 -0.25700 -0.15700 1.000 C6 C -11.71400 0.96400 -1.04100 1.000 C7 C -12.25900 -0.13400 1.13600 1.000 C8 C -9.98100 -0.32800 0.17400 1.000 C9 C -9.05000 -0.44200 -0.84100 1.000 C10 C -7.70300 -0.50800 -0.54100 1.000 C11 C -9.56800 -0.27400 1.49300 1.000 C12 C -8.22300 -0.33900 1.79900 1.000 C13 C -7.28500 -0.46000 0.78200 1.000 N14 N -5.92200 -0.52700 1.08900 1.000 C15 C -5.01600 0.02600 0.25900 1.000 O16 O -5.38600 0.67700 -0.69900 1.000 N17 N -3.69800 -0.14300 0.49000 1.000 C18 C -2.71400 0.45800 -0.41300 1.000 C19 C -1.30300 0.11700 0.07100 1.000 C20 C -0.27400 0.74500 -0.87200 1.000 N21 N 1.07500 0.54500 -0.32800 1.000 C22 C 1.49100 -0.85800 -0.45500 1.000 C23 C 1.05900 -1.63300 0.79100 1.000 C24 C 0.83500 -1.47500 -1.69200 1.000 C25 C 2.04200 1.44100 -0.97500 1.000 C26 C 3.28300 1.57700 -0.09000 1.000 O27 O 4.05100 0.35500 -0.11000 1.000 C28 C 4.23600 2.65100 -0.66100 1.000 O29 O 4.05700 3.89400 0.02200 1.000 C30 C 5.64700 2.08300 -0.39100 1.000 O31 O 6.38300 2.95700 0.46700 1.000 C32 C 5.38000 0.73300 0.31100 1.000 N33 N 6.35700 -0.26900 -0.12200 1.000 C34 C 6.18400 -1.13300 -1.17200 1.000 C35 C 7.26700 -1.91800 -1.29900 1.000 N36 N 8.22500 0.07300 1.48600 1.000 N37 N 10.04800 -1.32000 1.18600 1.000 N38 N 10.13500 -2.95700 -0.51000 1.000 H39 H 9.92300 0.12900 2.65700 1.000 H40 H -11.29100 -1.61300 -1.82300 1.000 H41 H -11.67900 -2.39500 -0.27200 1.000 H42 H -12.92900 -1.47400 -1.14100 1.000 H43 H -12.77600 1.01600 -1.28000 1.000 H44 H -11.41700 1.86800 -0.51000 1.000 H45 H -11.13800 0.87700 -1.96200 1.000 H46 H -12.07000 -1.00400 1.76600 1.000 H47 H -11.96100 0.77000 1.66700 1.000 H48 H -13.32100 -0.08300 0.89700 1.000 H49 H -9.37600 -0.48100 -1.87000 1.000 H50 H -6.97700 -0.59800 -1.33500 1.000 H51 H -10.29700 -0.18000 2.28300 1.000 H52 H -7.90000 -0.29700 2.82900 1.000 H53 H -5.62800 -0.97100 1.90000 1.000 H54 H -3.40300 -0.66200 1.25400 1.000 H55 H -2.85700 0.06600 -1.42000 1.000 H56 H -2.84300 1.54100 -0.42400 1.000 H57 H -1.16000 0.51000 1.07800 1.000 H58 H -1.17400 -0.96500 0.08100 1.000 H59 H -0.34500 0.27300 -1.85200 1.000 H60 H -0.47300 1.81200 -0.96800 1.000 H61 H 2.57600 -0.90800 -0.55500 1.000 H62 H 1.45900 -2.64700 0.74600 1.000 H63 H 1.43900 -1.13200 1.68100 1.000 H64 H -0.03000 -1.67400 0.83500 1.000 H65 H -0.24900 -1.40200 -1.60300 1.000 H66 H 1.16300 -0.93800 -2.58200 1.000 H67 H 1.12400 -2.52300 -1.77200 1.000 H68 H 2.32900 1.02900 -1.94200 1.000 H69 H 1.58900 2.42200 -1.11800 1.000 H70 H 2.99500 1.83000 0.93000 1.000 H71 H 4.07100 2.77800 -1.73100 1.000 H72 H 4.63100 4.60400 -0.29700 1.000 H73 H 6.18200 1.92900 -1.32800 1.000 H74 H 6.52700 3.84000 0.10000 1.000 H75 H 5.41500 0.85300 1.39400 1.000 H76 H 5.30800 -1.17600 -1.80300 1.000 H77 H 7.41800 -2.69200 -2.03700 1.000 H78 H 9.71200 -3.39400 -1.26600 1.000 H79 H 11.01900 -3.23500 -0.22200 1.000