# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9JG' 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 1.21700 3.80800 0.43300 1.000 C1 C 2.32700 3.48500 0.05700 1.000 N2 N 3.27700 4.42400 -0.12300 1.000 C3 C 2.97200 5.83300 0.13300 1.000 C4 C 4.21300 6.68300 -0.14600 1.000 N5 N 2.60900 2.18700 -0.17400 1.000 C6 C 1.66400 1.20500 0.11900 1.000 N7 N 0.45000 1.57100 0.52400 1.000 C8 C -0.49000 0.70300 0.81700 1.000 C9 C -0.23700 -0.67400 0.71100 1.000 C10 C 2.00600 -0.12500 -0.02300 1.000 C11 C 1.04700 -1.10000 0.28200 1.000 C12 C 1.31800 -2.48300 0.16800 1.000 C13 C 2.65100 -2.95100 -0.27700 1.000 C14 C 3.34800 -3.92600 0.44500 1.000 C15 C 4.58600 -4.33400 -0.00600 1.000 N16 N 5.11300 -3.81800 -1.10000 1.000 C17 C 4.48900 -2.89700 -1.81000 1.000 C18 C 3.24400 -2.43500 -1.43400 1.000 C19 C 0.32200 -3.39300 0.47900 1.000 C20 C -0.93000 -2.96000 0.89800 1.000 C21 C -1.21700 -1.63200 1.01500 1.000 C22 C -2.58400 -1.19300 1.47300 1.000 N23 N -3.38400 -0.79900 0.31100 1.000 C24 C -4.65000 -0.36800 0.47900 1.000 O25 O -5.12800 -0.30700 1.59500 1.000 O26 O -5.38500 -0.00500 -0.58900 1.000 C27 C -6.74100 0.44900 -0.33200 1.000 C28 C -7.38900 0.80100 -1.60600 1.000 C29 C -7.90700 1.08200 -2.62200 1.000 H30 H 4.16300 4.16600 -0.42300 1.000 H31 H 2.15800 6.15300 -0.51700 1.000 H32 H 2.67400 5.95700 1.17500 1.000 H33 H 3.98600 7.73200 0.04500 1.000 H34 H 5.02700 6.36300 0.50500 1.000 H35 H 4.51100 6.56000 -1.18700 1.000 H36 H 3.47000 1.93700 -0.54400 1.000 H37 H -1.46000 1.05000 1.14200 1.000 H38 H 2.99300 -0.40800 -0.35700 1.000 H39 H 2.92400 -4.35200 1.34200 1.000 H40 H 5.13200 -5.08500 0.54400 1.000 H41 H 4.95700 -2.50200 -2.70000 1.000 H42 H 2.73700 -1.68400 -2.02300 1.000 H43 H 0.52100 -4.45100 0.39500 1.000 H44 H -1.69100 -3.68800 1.13500 1.000 H45 H -3.07600 -2.01700 1.99000 1.000 H46 H -2.48600 -0.34600 2.15100 1.000 H47 H -3.00300 -0.84700 -0.58000 1.000 H48 H -7.30400 -0.34700 0.15500 1.000 H49 H -6.71400 1.32400 0.31600 1.000 H50 H -8.36900 1.33300 -3.53000 1.000