# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9QD' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy N0 N 5.13400 0.02600 0.70000 1.000 N1 N -5.27300 -1.03900 1.12100 1.000 C2 C 3.76500 0.33900 1.13300 1.000 C3 C 6.10800 0.95400 0.77900 1.000 C4 C 7.50700 0.61800 0.33000 1.000 C5 C 8.41100 1.83700 0.52400 1.000 C6 C 8.53000 2.15200 2.01600 1.000 C7 C 10.52100 0.49100 0.46800 1.000 C8 C 11.54900 2.06000 -1.56400 1.000 C9 C 5.42200 -1.31900 0.18400 1.000 C10 C 0.12000 -0.27900 -1.32200 1.000 C11 C -3.98200 -1.39200 0.72500 1.000 C12 C -6.00600 -0.20400 0.35900 1.000 C13 C -7.43500 0.09700 0.73200 1.000 C14 C -9.96500 2.45700 -0.74000 1.000 C15 C -13.62000 1.87800 -0.03800 1.000 C16 C -10.26900 0.15800 -0.05000 1.000 N17 N 0.65300 -1.51000 -1.10200 1.000 C18 C -0.06400 -2.47000 -0.47400 1.000 O19 O 0.40200 -3.57600 -0.27100 1.000 C20 C 2.01700 -1.80000 -1.55000 1.000 C21 C 11.77500 0.22100 -0.04700 1.000 C22 C 12.28900 1.00500 -1.06200 1.000 C23 C 10.29000 2.32200 -1.05700 1.000 C24 C 4.43600 -1.63600 -0.94500 1.000 C25 C -1.89700 -0.82000 -0.31700 1.000 C26 C -3.18600 -0.46400 0.07600 1.000 C27 C 3.00500 -1.45100 -0.43500 1.000 C28 C -8.03600 1.06400 -0.29000 1.000 C29 C -11.38700 2.78400 -0.27800 1.000 C30 C -11.69100 0.48500 0.41300 1.000 C31 C -3.50700 -2.67800 0.98700 1.000 C32 C 2.79900 0.00900 -0.00900 1.000 C33 C -2.24700 -3.04400 0.60900 1.000 C34 C -1.42600 -2.12600 -0.04600 1.000 C35 C 9.77800 1.54200 -0.03700 1.000 N36 N -1.08000 0.05400 -0.95600 1.000 N37 N -9.42900 1.35700 0.07300 1.000 N38 N -12.22700 1.58500 -0.40100 1.000 O39 O 2.78400 -2.31300 0.68300 1.000 O40 O 5.85900 2.05900 1.21100 1.000 O41 O -5.51700 0.30500 -0.62700 1.000 H42 H -5.64200 -1.39400 1.94500 1.000 H43 H 3.51300 -0.26000 2.00900 1.000 H44 H 3.69300 1.39800 1.37900 1.000 H45 H 7.88800 -0.21500 0.92100 1.000 H46 H 7.49400 0.33900 -0.72400 1.000 H47 H 7.98200 2.69400 0.00400 1.000 H48 H 8.95800 1.29500 2.53600 1.000 H49 H 9.17400 3.02000 2.15400 1.000 H50 H 7.54100 2.36500 2.42200 1.000 H51 H 10.12000 -0.12100 1.26100 1.000 H52 H 11.95100 2.67200 -2.35700 1.000 H53 H 6.44100 -1.35300 -0.20000 1.000 H54 H 5.30700 -2.05000 0.98500 1.000 H55 H 0.72700 0.46000 -1.82400 1.000 H56 H -8.01200 -0.82800 0.73900 1.000 H57 H -7.46500 0.55100 1.72200 1.000 H58 H -9.98300 2.15900 -1.78900 1.000 H59 H -9.33300 3.33800 -0.62300 1.000 H60 H -14.01400 2.64900 -0.70000 1.000 H61 H -14.22000 0.97300 -0.13700 1.000 H62 H -13.66000 2.22900 0.99400 1.000 H63 H -9.85900 -0.63800 0.57200 1.000 H64 H -10.29000 -0.16700 -1.09000 1.000 H65 H 2.10300 -2.85900 -1.79300 1.000 H66 H 2.24400 -1.20500 -2.43500 1.000 H67 H 12.35400 -0.60300 0.34500 1.000 H68 H 13.27000 0.79500 -1.46400 1.000 H69 H 9.71000 3.14300 -1.45200 1.000 H70 H 4.61400 -0.96100 -1.78300 1.000 H71 H 4.57600 -2.66700 -1.27200 1.000 H72 H -3.56100 0.52900 -0.12400 1.000 H73 H -7.46000 1.98900 -0.29800 1.000 H74 H -8.00700 0.61000 -1.28100 1.000 H75 H -11.36600 3.10900 0.76200 1.000 H76 H -11.79700 3.58100 -0.89900 1.000 H77 H -12.32300 -0.39600 0.29500 1.000 H78 H -11.67300 0.78200 1.46100 1.000 H79 H -4.14100 -3.39000 1.49400 1.000 H80 H 1.77300 0.14600 0.33200 1.000 H81 H 2.99400 0.67200 -0.85300 1.000 H82 H -1.88700 -4.04100 0.81600 1.000 H83 H 1.89500 -2.24900 1.05900 1.000