# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '0GQ' 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 13.46900 0.66400 2.08500 1.000 C1 C 12.39300 -0.31700 1.89300 1.000 C2 C 12.33900 -0.73500 0.42200 1.000 C3 C 11.05600 0.30800 2.29600 1.000 C4 C 11.23800 -1.78300 0.23200 1.000 N5 N 9.97500 -1.24200 0.75200 1.000 C6 C 9.94000 -0.72800 2.12800 1.000 C7 C 8.87000 -1.21700 -0.01900 1.000 O8 O 8.93400 -1.55600 -1.18500 1.000 N9 N 7.69400 -0.81600 0.50200 1.000 C10 C 6.47100 -0.89700 -0.30000 1.000 C11 C 5.47300 0.11400 0.20100 1.000 O12 O 5.75500 0.83300 1.13700 1.000 C13 C 5.87700 -2.30200 -0.18200 1.000 C14 C 6.82400 -3.30200 -0.79500 1.000 C15 C 7.79800 -3.89900 -0.01700 1.000 C16 C 6.71500 -3.62500 -2.13500 1.000 C17 C 8.66600 -4.81500 -0.57900 1.000 C18 C 7.58400 -4.54100 -2.69700 1.000 C19 C 8.56100 -5.13500 -1.92000 1.000 N20 N 4.26600 0.22000 -0.39000 1.000 C21 C 3.29600 1.20300 0.09700 1.000 C22 C 2.01800 1.11800 -0.74100 1.000 C23 C 1.02000 2.12900 -0.24000 1.000 O24 O 1.30200 2.84800 0.69500 1.000 N25 N -0.18600 2.23500 -0.83100 1.000 C26 C -1.11500 3.29100 -0.41800 1.000 C27 C -0.72700 4.60600 -1.09700 1.000 C28 C -1.61300 5.73400 -0.56700 1.000 C29 C -1.31700 7.02200 -1.33900 1.000 C30 C -1.32500 5.95300 0.92000 1.000 C31 C -2.20300 8.15000 -0.80800 1.000 C32 C -2.21100 7.08200 1.45100 1.000 C33 C -1.91500 8.36900 0.67900 1.000 C34 C -2.53800 2.90600 -0.82600 1.000 O35 O -2.60100 2.74600 -2.24400 1.000 C36 C -2.92600 1.59100 -0.14600 1.000 C37 C -4.36800 1.27500 -0.44900 1.000 O38 O -5.02200 2.02800 -1.14000 1.000 N39 N -4.93100 0.15700 0.04800 1.000 C40 C -6.29700 -0.20900 -0.33600 1.000 C41 C -6.96000 -0.94200 0.80200 1.000 O42 O -6.36700 -1.10100 1.84700 1.000 C43 C -6.25500 -1.11200 -1.57000 1.000 C44 C -5.32000 -2.29400 -1.30500 1.000 C45 C -5.74200 -0.31400 -2.77000 1.000 C46 C -5.92900 -3.19700 -0.23200 1.000 N47 N -8.21200 -1.42100 0.65600 1.000 C48 C -8.90000 -2.02900 1.79800 1.000 C49 C -10.27400 -2.48000 1.37300 1.000 C50 C -11.38900 -1.71700 1.65900 1.000 C51 C -10.45100 -3.67700 0.67600 1.000 N52 N -12.58200 -2.14400 1.27100 1.000 N53 N -9.36400 -4.47500 0.36100 1.000 N54 N -11.68000 -4.03800 0.32000 1.000 C55 C -12.71700 -3.28100 0.61900 1.000 C56 C -14.09400 -3.72600 0.19800 1.000 H57 H 13.52500 0.95600 3.04900 1.000 H58 H 14.35400 0.29700 1.76600 1.000 H59 H 12.58500 -1.19300 2.51300 1.000 H60 H 12.12200 0.13600 -0.19600 1.000 H61 H 13.30000 -1.15900 0.12900 1.000 H62 H 11.10200 0.62700 3.33800 1.000 H63 H 10.85000 1.17000 1.66100 1.000 H64 H 11.13000 -2.01100 -0.82800 1.000 H65 H 11.50000 -2.69000 0.77800 1.000 H66 H 10.09500 -1.54900 2.82900 1.000 H67 H 8.97400 -0.26000 2.31900 1.000 H68 H 7.65700 -0.47200 1.40900 1.000 H69 H 6.70700 -0.68900 -1.34400 1.000 H70 H 5.72400 -2.54500 0.86900 1.000 H71 H 4.92200 -2.33800 -0.70600 1.000 H72 H 7.88000 -3.64900 1.03100 1.000 H73 H 5.95100 -3.16200 -2.74200 1.000 H74 H 9.42700 -5.28100 0.02900 1.000 H75 H 7.49900 -4.79400 -3.74400 1.000 H76 H 9.24000 -5.85000 -2.36000 1.000 H77 H 4.04100 -0.35500 -1.13800 1.000 H78 H 3.06000 0.99500 1.14000 1.000 H79 H 3.71900 2.20400 0.01300 1.000 H80 H 2.25400 1.32600 -1.78500 1.000 H81 H 1.59500 0.11700 -0.65700 1.000 H82 H -0.44000 1.61300 -1.53100 1.000 H83 H -1.06700 3.41300 0.66400 1.000 H84 H 0.31700 4.83200 -0.88200 1.000 H85 H -0.86400 4.51200 -2.17400 1.000 H86 H -2.66200 5.46500 -0.69700 1.000 H87 H -0.26900 7.29100 -1.20700 1.000 H88 H -1.52300 6.86600 -2.39800 1.000 H89 H -1.53600 5.03600 1.47000 1.000 H90 H -0.27700 6.22200 1.05100 1.000 H91 H -1.99200 9.06700 -1.35800 1.000 H92 H -3.25100 7.88100 -0.93900 1.000 H93 H -3.26000 6.81300 1.32000 1.000 H94 H -2.00600 7.23800 2.51000 1.000 H95 H -0.86700 8.63800 0.81000 1.000 H96 H -2.54600 9.17300 1.05700 1.000 H97 H -3.22900 3.69100 -0.51800 1.000 H98 H -2.01100 2.06200 -2.58900 1.000 H99 H -2.29200 0.78800 -0.52100 1.000 H100 H -2.79300 1.68600 0.93100 1.000 H101 H -4.43300 -0.40700 0.66000 1.000 H102 H -6.86400 0.69400 -0.56600 1.000 H103 H -7.25800 -1.48400 -1.78300 1.000 H104 H -5.18400 -2.86300 -2.22500 1.000 H105 H -4.35400 -1.92200 -0.96200 1.000 H106 H -4.70700 -0.02200 -2.59600 1.000 H107 H -5.80000 -0.92900 -3.66800 1.000 H108 H -6.35400 0.57900 -2.90100 1.000 H109 H -5.86000 -2.70500 0.73900 1.000 H110 H -6.97600 -3.38800 -0.46900 1.000 H111 H -5.38600 -4.14100 -0.20000 1.000 H112 H -8.65600 -1.36300 -0.20400 1.000 H113 H -8.32900 -2.88700 2.15100 1.000 H114 H -8.99000 -1.29600 2.60000 1.000 H115 H -11.29000 -0.78300 2.19300 1.000 H116 H -8.47000 -4.20400 0.62500 1.000 H117 H -9.49500 -5.30500 -0.12300 1.000 H118 H -14.31400 -3.33500 -0.79500 1.000 H119 H -14.13400 -4.81500 0.17700 1.000 H120 H -14.83000 -3.34900 0.90800 1.000