# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'JJP' 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 -2.52900 -1.71100 -0.25200 1.000 C1 C -3.14700 1.06900 -0.06200 1.000 C2 C 2.47900 0.98100 -0.46400 1.000 C3 C -0.55900 2.71000 0.65700 1.000 N4 N -0.68800 1.26400 0.46000 1.000 C5 C 0.33500 0.36100 0.56100 1.000 C6 C 1.78500 0.66700 0.87400 1.000 C7 C 2.41800 -0.61900 1.43000 1.000 C8 C 2.19700 -1.75500 0.43300 1.000 C9 C 0.72000 -2.13300 0.36800 1.000 C10 C -0.12600 -0.88700 0.33300 1.000 C11 C -1.54300 -0.77000 0.05600 1.000 C12 C -3.80000 -1.23300 -0.46200 1.000 C13 C -4.10300 0.11600 -0.37000 1.000 C14 C -1.84800 0.61300 0.14900 1.000 N15 N 2.73400 -1.42200 -0.88000 1.000 C16 C 2.18600 -0.17600 -1.42500 1.000 O17 O 1.96400 2.20000 -1.00200 1.000 H18 H -2.30300 -2.76400 -0.32600 1.000 H19 H -3.39700 2.11700 0.01100 1.000 H20 H 3.55500 1.06900 -0.31000 1.000 H21 H -0.73000 2.95100 1.70600 1.000 H22 H 0.44300 3.02800 0.36900 1.000 H23 H -1.29500 3.22700 0.04100 1.000 H24 H 1.87200 1.50100 1.57100 1.000 H25 H 3.48700 -0.46600 1.57700 1.000 H26 H 1.95100 -0.87400 2.38200 1.000 H27 H 2.74700 -2.62500 0.79300 1.000 H28 H 0.53700 -2.72400 -0.53000 1.000 H29 H 0.45800 -2.72100 1.24800 1.000 H30 H -4.58700 -1.93000 -0.70600 1.000 H31 H -5.12100 0.43400 -0.54000 1.000 H32 H 2.60800 -2.18600 -1.52700 1.000 H33 H 1.10800 -0.27800 -1.55100 1.000 H34 H 2.64500 0.03000 -2.39200 1.000 H35 H 2.36000 2.45600 -1.84700 1.000