# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '04X' 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 4.55800 -0.13200 0.82300 1.000 C1 C -3.99400 0.46600 0.29000 1.000 N2 N 2.27400 -0.49000 0.01900 1.000 C3 C 3.63600 -1.04400 0.00900 1.000 O4 O 4.50800 1.19200 0.28300 1.000 C5 C -2.51000 0.21000 0.22400 1.000 N6 N -2.22900 -1.17800 0.62700 1.000 O7 O -4.76800 -0.46100 0.27800 1.000 C8 C 2.26100 0.86900 -0.54100 1.000 C9 C -2.01800 0.40800 -1.21200 1.000 C10 C -0.61200 -0.10900 -1.34100 1.000 C11 C -0.07000 -0.90300 -0.46900 1.000 C12 C -0.78100 -1.38300 0.76300 1.000 C13 C 1.34400 -1.36700 -0.70500 1.000 C14 C 3.19700 1.76200 0.27800 1.000 H15 H 4.22800 -0.11400 1.86200 1.000 H16 H 5.58000 -0.50800 0.77100 1.000 H17 H 3.99700 -1.10400 -1.01800 1.000 H18 H 3.62700 -2.04000 0.45100 1.000 H19 H -1.99000 0.89800 0.89100 1.000 H20 H 2.60000 0.83900 -1.57700 1.000 H21 H 1.24800 1.26900 -0.50100 1.000 H22 H -2.66900 -0.13600 -1.89600 1.000 H23 H -2.03800 1.46900 -1.45900 1.000 H24 H -0.02800 0.19200 -2.19800 1.000 H25 H -0.41800 -0.82800 1.62900 1.000 H26 H -0.57900 -2.44400 0.90700 1.000 H27 H 1.56600 -1.33000 -1.77200 1.000 H28 H 1.45600 -2.39000 -0.34600 1.000 H29 H 2.82700 1.83500 1.30100 1.000 H30 H 3.23400 2.75600 -0.16800 1.000 O31 O -4.45600 1.72400 0.36300 1.000 H32 H -5.41500 1.83900 0.40400 1.000 H33 H -2.70900 -1.41000 1.48400 1.000