# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9LE' 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 4.21200 0.21300 3.42800 1.000 C1 C 4.31800 1.08900 2.30400 1.000 C2 C 4.07100 0.29900 1.01700 1.000 C3 C 4.30600 1.20800 -0.19300 1.000 O4 O 5.66800 1.63800 -0.20900 1.000 C5 C 3.99800 0.42800 -1.47500 1.000 O6 O 4.14400 1.29000 -2.60500 1.000 O7 O 2.72300 -0.17500 1.00000 1.000 C8 C 2.39200 -0.95100 -0.15300 1.000 C9 C 2.55900 -0.09300 -1.41000 1.000 N10 N 2.27600 -0.90500 -2.60000 1.000 C11 C 0.96300 -1.41800 -0.05100 1.000 N12 N 0.56400 -2.70400 0.06800 1.000 C13 C -0.80100 -2.70600 0.13200 1.000 C14 C -1.19700 -1.40800 0.05000 1.000 N15 N -0.08800 -0.64700 -0.05600 1.000 C16 C -2.59600 -0.91700 0.07700 1.000 C17 C -3.65300 -1.83300 0.20300 1.000 C18 C -4.94300 -1.41000 0.23100 1.000 C19 C -5.23400 -0.03700 0.13300 1.000 C20 C -6.56000 0.42700 0.16000 1.000 C21 C -6.81000 1.76200 0.06400 1.000 C22 C -5.76900 2.68000 -0.06200 1.000 C23 C -4.47200 2.26800 -0.09100 1.000 C24 C -4.17500 0.89700 0.00600 1.000 C25 C -2.84800 0.43900 -0.01600 1.000 H26 H 4.35700 0.64700 4.28000 1.000 H27 H 3.57700 1.88300 2.39100 1.000 H28 H 5.31700 1.52500 2.27600 1.000 H29 H 4.75500 -0.54800 0.97300 1.000 H30 H 3.65000 2.07700 -0.12800 1.000 H31 H 5.93300 2.13600 0.57600 1.000 H32 H 4.68600 -0.41200 -1.56400 1.000 H33 H 5.03100 1.66200 -2.70400 1.000 H34 H 3.05300 -1.81500 -0.21200 1.000 H35 H 1.86800 0.75000 -1.37000 1.000 H36 H 2.38500 -0.36100 -3.44300 1.000 H37 H 2.86000 -1.72800 -2.62300 1.000 H38 H 1.14100 -3.48300 0.10100 1.000 H39 H -1.44100 -3.57000 0.22800 1.000 H40 H -3.43800 -2.88900 0.27800 1.000 H41 H -5.74500 -2.12600 0.32800 1.000 H42 H -7.37700 -0.27200 0.25700 1.000 H43 H -7.83000 2.11500 0.08500 1.000 H44 H -5.99500 3.73300 -0.13700 1.000 H45 H -3.67500 2.99000 -0.18900 1.000 H46 H -2.03200 1.13900 -0.10800 1.000