# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'J7C' 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 -5.43900 -0.61400 -0.45600 1.000 C1 C -4.89200 0.50000 -0.90500 1.000 N2 N -3.59900 0.73500 -0.82600 1.000 C3 C -2.78100 -0.15800 -0.27900 1.000 C4 C -3.31400 -1.36000 0.21500 1.000 C5 C -4.70000 -1.56500 0.10700 1.000 N6 N -5.28300 -2.73000 0.57600 1.000 N7 N -2.28000 -2.08100 0.71200 1.000 C8 C -1.17400 -1.41400 0.55800 1.000 N9 N -1.43000 -0.22100 -0.04900 1.000 C10 C -0.44300 0.80600 -0.39300 1.000 C11 C -0.35900 1.87800 0.72400 1.000 O12 O -1.34100 2.89600 0.52700 1.000 C13 C 1.06900 2.44100 0.52500 1.000 O14 O 1.02800 3.64900 -0.23900 1.000 C15 C 1.80700 1.33500 -0.25400 1.000 O16 O 0.88700 0.24400 -0.42100 1.000 C17 C 3.02900 0.86800 0.53900 1.000 C18 C 3.82400 -0.13900 -0.29600 1.000 N19 N 4.99400 -0.58600 0.46300 1.000 C20 C 5.86300 -1.49900 -0.08700 1.000 N21 N 6.90400 -1.89700 0.58800 1.000 N22 N 5.63300 -1.99100 -1.35000 1.000 H23 H -5.52900 1.24700 -1.35600 1.000 H24 H -6.24100 -2.85900 0.49600 1.000 H25 H -4.73300 -3.41600 0.98500 1.000 H26 H -0.19600 -1.75600 0.86600 1.000 H27 H -0.68800 1.26700 -1.35000 1.000 H28 H -0.46400 1.42200 1.70800 1.000 H29 H -1.32900 3.59000 1.20100 1.000 H30 H 1.54800 2.61700 1.48800 1.000 H31 H 0.52500 4.36100 0.17800 1.000 H32 H 2.11900 1.71300 -1.22800 1.000 H33 H 3.66100 1.72500 0.77200 1.000 H34 H 2.70300 0.39500 1.46500 1.000 H35 H 3.19200 -0.99600 -0.52900 1.000 H36 H 4.15000 0.33400 -1.22200 1.000 H37 H 5.15600 -0.23900 1.35400 1.000 H38 H 7.51700 -2.54000 0.20000 1.000 H39 H 4.85800 -1.69500 -1.85200 1.000 H40 H 6.24600 -2.63500 -1.73800 1.000