# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CX9' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy O0 O 2.48800 -1.82000 -0.99200 1.000 C1 C 2.89700 -0.74900 -0.58100 1.000 C2 C 4.05300 -0.69000 0.22800 1.000 N3 N 2.25500 0.39500 -0.89600 1.000 N4 N 4.93500 -1.62700 0.72700 1.000 C5 C 4.49800 0.54500 0.68300 1.000 C6 C 4.88100 -3.07500 0.51600 1.000 C7 C 5.85700 -0.95600 1.44600 1.000 N8 N 5.59300 0.32600 1.41600 1.000 N9 N 3.79200 1.68300 0.32800 1.000 C10 C 4.24000 2.99700 0.79500 1.000 C11 C 2.69600 1.58300 -0.44900 1.000 O12 O 2.09200 2.59300 -0.75300 1.000 C13 C 1.05800 0.34100 -1.73900 1.000 C14 C -0.18200 0.18400 -0.85600 1.000 C15 C -1.43100 0.12800 -1.73700 1.000 N16 N -2.61800 -0.02200 -0.89100 1.000 C17 C -3.25800 1.07900 -0.44000 1.000 C18 C -3.05900 -1.25200 -0.58000 1.000 O19 O -2.85900 2.19200 -0.72800 1.000 C20 C -4.44100 0.90200 0.40400 1.000 N21 N -5.30300 1.75100 1.01500 1.000 C22 C -4.85200 -0.39100 0.70100 1.000 C23 C -6.19900 1.05900 1.65600 1.000 N24 N -5.95500 -0.27300 1.48600 1.000 N25 N -4.14200 -1.45400 0.19100 1.000 C26 C -4.57000 -2.82200 0.49300 1.000 O27 O -2.45800 -2.21700 -1.01100 1.000 H28 H 5.45000 -3.33400 -0.37700 1.000 H29 H 5.30800 -3.58500 1.38000 1.000 H30 H 3.84300 -3.38500 0.38800 1.000 H31 H 6.68800 -1.40700 1.96800 1.000 H32 H 4.93400 3.42300 0.07000 1.000 H33 H 3.37800 3.65700 0.90400 1.000 H34 H 4.74000 2.89000 1.75700 1.000 H35 H 0.97900 1.26200 -2.31700 1.000 H36 H 1.13000 -0.50900 -2.41800 1.000 H37 H -0.10200 -0.73700 -0.27900 1.000 H38 H -0.25400 1.03400 -0.17700 1.000 H39 H -1.51100 1.04900 -2.31400 1.000 H40 H -1.36000 -0.72200 -2.41600 1.000 H41 H -7.01200 1.47400 2.23300 1.000 H42 H -6.47400 -1.00300 1.85800 1.000 H43 H -3.89500 -3.52900 0.01100 1.000 H44 H -4.55000 -2.97900 1.57200 1.000 H45 H -5.58300 -2.97600 0.12300 1.000