# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'JQ7' 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 -2.63900 1.34200 -0.46500 1.000 C1 C -2.29900 -1.38300 -0.66200 1.000 N2 N 4.18900 0.55500 -1.23800 1.000 C3 C 2.92600 0.48700 -0.77300 1.000 O4 O 2.01500 0.95800 -1.41900 1.000 C5 C 2.64600 -0.17600 0.55200 1.000 N6 N 1.20900 -0.12200 0.83100 1.000 C7 C 0.57300 1.05000 1.46500 1.000 C8 C -0.38000 1.69700 0.47300 1.000 O9 O -1.01500 2.80700 1.11000 1.000 C10 C -1.44100 0.77100 -0.04500 1.000 C11 C -3.65200 0.55900 -0.97500 1.000 C12 C -3.48500 -0.80900 -1.08100 1.000 C13 C -1.29300 -0.59700 -0.13000 1.000 S14 S 0.18100 -1.37800 0.45400 1.000 O15 O -0.15200 -2.01700 1.67900 1.000 O16 O 0.75200 -2.05800 -0.65500 1.000 H17 H -2.77700 2.41100 -0.38800 1.000 H18 H -2.16100 -2.45100 -0.74300 1.000 H19 H 4.36900 0.98200 -2.09100 1.000 H20 H 4.91800 0.17800 -0.72100 1.000 H21 H 2.97000 -1.21600 0.51300 1.000 H22 H 3.19000 0.34500 1.34000 1.000 H23 H 0.01900 0.73100 2.34700 1.000 H24 H 1.34000 1.76800 1.75500 1.000 H25 H 0.19900 2.06800 -0.37300 1.000 H26 H -1.64300 3.27900 0.54500 1.000 H27 H -4.57900 1.01500 -1.29100 1.000 H28 H -4.27000 -1.42300 -1.49500 1.000