# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '049' 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 3.67600 0.04600 1.27600 1.000 C1 C 2.32000 -0.21500 1.20200 1.000 C2 C 1.80200 -0.87100 0.10100 1.000 C3 C -0.38300 0.01400 -0.66500 1.000 C4 C 0.32500 -1.15600 0.02000 1.000 C5 C -2.50300 -0.60900 0.50100 1.000 O6 O -1.97800 -1.48400 -1.69000 1.000 C7 C -1.86200 -0.32700 -0.85900 1.000 C8 C -3.74700 -1.50000 0.53300 1.000 O9 O -2.47000 -1.95200 0.98700 1.000 C10 C -2.41100 0.52300 1.52600 1.000 N11 N -0.26500 1.21300 0.16900 1.000 C12 C -0.50000 2.42900 -0.36200 1.000 C13 C -0.26100 3.66900 0.46100 1.000 O14 O -0.90300 2.52600 -1.50100 1.000 C15 C 4.51200 -0.34500 0.24800 1.000 C16 C 3.99300 -0.99500 -0.85600 1.000 C17 C 2.64000 -1.26600 -0.92500 1.000 H18 H 4.08100 0.55900 2.13600 1.000 H19 H 1.66600 0.09400 2.00400 1.000 H20 H 0.07800 0.20000 -1.63500 1.000 H21 H 0.16100 -2.06700 -0.55500 1.000 H22 H -0.07600 -1.28500 1.02600 1.000 H23 H -1.54800 -2.27200 -1.33000 1.000 H24 H -2.37000 0.51300 -1.33400 1.000 H25 H -4.50600 -1.28500 1.28400 1.000 H26 H -4.11600 -1.89000 -0.41500 1.000 H27 H -1.46100 0.45500 2.05700 1.000 H28 H -2.47200 1.48300 1.01400 1.000 H29 H -3.23200 0.43700 2.23700 1.000 H30 H -0.01700 1.13100 1.10300 1.000 H31 H 0.76600 4.00700 0.32000 1.000 H32 H -0.94900 4.45300 0.14400 1.000 H33 H -0.42800 3.44400 1.51400 1.000 H34 H 5.57100 -0.14100 0.30600 1.000 H35 H 4.64700 -1.30000 -1.66000 1.000 H36 H 2.23400 -1.77500 -1.78800 1.000