# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'J3H' 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 -1.98300 -0.17900 0.30600 1.000 C1 C -3.11500 0.20600 -0.43700 1.000 C2 C -4.33000 -0.46800 -0.20100 1.000 N3 N -4.34800 -1.43300 0.71100 1.000 C4 C -3.25900 -1.76000 1.38400 1.000 O5 O 3.24300 -1.68800 -1.01300 1.000 C6 C 3.61200 -0.67900 -0.45000 1.000 C7 C 5.02700 -0.57400 0.05800 1.000 C8 C 5.78200 -1.86600 -0.26300 1.000 C9 C -2.71100 1.25100 -1.29600 1.000 C10 C 0.42000 0.57300 0.39000 1.000 C11 C 0.78700 1.92900 0.99600 1.000 C12 C 2.21400 1.87400 1.54700 1.000 C13 C 3.18800 1.57600 0.40300 1.000 C14 C 1.37300 0.25900 -0.76700 1.000 N15 N -2.10300 -1.16400 1.19500 1.000 N16 N -0.95700 0.61700 -0.10900 1.000 N17 N -1.44500 1.48300 -1.09500 1.000 N18 N -5.47300 -0.13200 -0.89900 1.000 N19 N 2.75600 0.34700 -0.27700 1.000 H20 H -3.31900 -2.55500 2.11400 1.000 H21 H 5.52400 0.26700 -0.42400 1.000 H22 H 5.01500 -0.41900 1.13700 1.000 H23 H 5.79300 -2.02000 -1.34200 1.000 H24 H 6.80500 -1.78900 0.10400 1.000 H25 H 5.28400 -2.70700 0.21900 1.000 H26 H -3.34400 1.77000 -2.00000 1.000 H27 H 0.50600 -0.20200 1.15300 1.000 H28 H 0.72400 2.69900 0.22700 1.000 H29 H 0.09400 2.16500 1.80400 1.000 H30 H 2.46600 2.83300 1.99900 1.000 H31 H 2.28300 1.08700 2.29900 1.000 H32 H 3.18600 2.40500 -0.30400 1.000 H33 H 4.19200 1.44000 0.80400 1.000 H34 H 1.18000 -0.74700 -1.13800 1.000 H35 H 1.22200 0.98000 -1.57100 1.000 H36 H -5.44600 0.57600 -1.56200 1.000 H37 H -6.30200 -0.60400 -0.72700 1.000