# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'JKH' 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 -1.80400 0.05400 -0.06200 1.000 N1 N 0.15000 -1.36100 0.36700 1.000 C2 C -0.46600 -0.04200 0.62400 1.000 C3 C 1.60500 -1.17800 0.21100 1.000 C4 C 0.52600 0.98200 0.01900 1.000 C5 C 1.89300 0.33100 0.35600 1.000 N6 N 2.92100 0.75800 -0.60300 1.000 O7 O -2.08000 -0.70800 -0.95800 1.000 O8 O -2.69100 0.98400 0.32500 1.000 H9 H -0.25000 -1.79400 -0.45300 1.000 H10 H -0.57700 0.12200 1.69600 1.000 H11 H 2.13400 -1.73200 0.98600 1.000 H12 H 1.91900 -1.52500 -0.77400 1.000 H13 H 0.38900 1.06900 -1.05900 1.000 H14 H 0.42600 1.95400 0.50200 1.000 H15 H 2.19400 0.57300 1.37500 1.000 H16 H 3.02000 1.76200 -0.56600 1.000 H17 H 3.80100 0.32500 -0.36700 1.000 H18 H -3.53600 1.00800 -0.14500 1.000 H19 H 2.64900 0.48100 -1.53400 1.000