# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'JQA' 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 3.92500 0.55700 -0.88900 1.000 C1 C 3.02400 1.49100 -0.25100 1.000 C2 C 2.78300 1.49500 1.23300 1.000 C3 C 1.25800 1.39800 1.58000 1.000 C4 C 0.78400 0.15300 0.96600 1.000 C5 C 1.08100 0.16100 -0.55900 1.000 C6 C -1.59600 -0.60100 1.58700 1.000 C7 C -4.17300 -0.19500 -1.14200 1.000 C8 C -3.49000 1.98100 -0.41300 1.000 O9 O -0.70500 -2.80000 0.03400 1.000 C10 C 0.11500 -1.93600 0.26900 1.000 O11 O 1.40800 -2.10500 -0.15400 1.000 C12 C 2.18700 -0.92700 -0.38200 1.000 C13 C 3.20600 -0.64100 -1.46400 1.000 C14 C 1.68800 1.47900 -0.99200 1.000 N15 N -0.29500 -0.79400 0.96600 1.000 C16 C -2.53900 0.02800 0.59400 1.000 C17 C -3.30800 -0.77200 -0.23000 1.000 C18 C -4.26400 1.18100 -1.23300 1.000 C19 C -2.62500 1.40400 0.49800 1.000 H20 H 4.46900 1.01800 -1.60300 1.000 H21 H 3.43900 2.47200 -0.47200 1.000 H22 H 3.31000 0.65600 1.68900 1.000 H23 H 3.18100 2.42300 1.65200 1.000 H24 H 1.12800 1.36100 2.66500 1.000 H25 H 0.72200 2.25900 1.18000 1.000 H26 H 1.55100 -0.53400 1.30200 1.000 H27 H 0.23500 -0.13800 -1.19400 1.000 H28 H -1.99400 -1.56500 1.90600 1.000 H29 H -1.49200 0.05300 2.45300 1.000 H30 H -4.77500 -0.82000 -1.78500 1.000 H31 H -3.56000 3.05600 -0.48500 1.000 H32 H 2.77900 -0.73700 0.51600 1.000 H33 H 2.71500 -0.38800 -2.39700 1.000 H34 H 3.88600 -1.47900 -1.57700 1.000 H35 H 1.06600 2.31400 -0.68500 1.000 H36 H 1.84800 1.49000 -2.06900 1.000 H37 H -3.23400 -1.84700 -0.16200 1.000 H38 H -4.94000 1.63200 -1.94400 1.000 H39 H -2.02000 2.02900 1.13900 1.000