# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'J78' 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 -0.31300 0.07500 -10.39600 1.000 C1 C -0.10100 -0.13100 -8.91900 1.000 C2 C -0.64200 -1.24500 -8.29000 1.000 C3 C -0.42300 -1.39500 -6.93000 1.000 C4 C 0.32700 -0.41700 -6.27800 1.000 N5 N 0.79800 0.61300 -6.96300 1.000 N6 N 0.59500 0.74400 -8.22400 1.000 N7 N 0.57600 -0.52100 -4.91400 1.000 C8 C 1.38000 0.64600 -4.54100 1.000 C9 C 1.69000 0.60600 -3.04400 1.000 C10 C 0.37700 0.65400 -2.25600 1.000 C11 C -0.52500 -0.49100 -2.72400 1.000 C12 C -0.71900 -0.39300 -4.23800 1.000 C13 C 0.66900 0.49900 -0.76200 1.000 C14 C -0.64300 0.54800 0.02100 1.000 C15 C -0.35000 0.39300 1.51500 1.000 O16 O -1.57600 0.43800 2.24800 1.000 C17 C -1.25500 0.29600 3.55800 1.000 C18 C -2.25700 0.30200 4.52200 1.000 C19 C -1.93600 0.15800 5.85300 1.000 C20 C -0.60000 0.00700 6.23500 1.000 C21 C 0.40400 0.00800 5.26300 1.000 C22 C 0.07400 0.14600 3.93400 1.000 C23 C -0.25100 -0.14600 7.66000 1.000 O24 O -1.12600 -0.14200 8.50300 1.000 O25 O 1.03600 -0.29200 8.02600 1.000 C26 C 1.38000 -0.44400 9.42800 1.000 C27 C 2.89600 -0.59000 9.56900 1.000 H28 H -0.40600 -0.89200 -10.88900 1.000 H29 H -1.22300 0.65300 -10.55600 1.000 H30 H 0.53700 0.61400 -10.81300 1.000 H31 H -1.21600 -1.97200 -8.84400 1.000 H32 H -0.82000 -2.24300 -6.39200 1.000 H33 H 0.82600 1.55600 -4.77200 1.000 H34 H 2.31300 0.63900 -5.10500 1.000 H35 H 2.30700 1.46300 -2.77600 1.000 H36 H 2.22300 -0.31400 -2.80700 1.000 H37 H -0.11900 1.60800 -2.43400 1.000 H38 H -0.05900 -1.44500 -2.47700 1.000 H39 H -1.49200 -0.41900 -2.22700 1.000 H40 H -1.16200 0.57100 -4.48500 1.000 H41 H -1.38200 -1.19200 -4.57100 1.000 H42 H 1.31900 1.31000 -0.43300 1.000 H43 H 1.16300 -0.45600 -0.58600 1.000 H44 H -1.29300 -0.26200 -0.30700 1.000 H45 H -1.13600 1.50300 -0.15400 1.000 H46 H 0.29900 1.20300 1.84400 1.000 H47 H 0.14200 -0.56200 1.69100 1.000 H48 H -3.28900 0.41900 4.22600 1.000 H49 H -2.71500 0.16200 6.60100 1.000 H50 H 1.43800 -0.10800 5.55500 1.000 H51 H 0.84900 0.14300 3.18300 1.000 H52 H 0.89000 -1.33200 9.82800 1.000 H53 H 1.04700 0.43400 9.98100 1.000 H54 H 3.15400 -0.70400 10.62200 1.000 H55 H 3.22900 -1.46900 9.01700 1.000 H56 H 3.38600 0.29700 9.16900 1.000