# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9AD' 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 -2.85600 -0.08900 -1.76900 1.000 C1 C -3.24600 -0.06800 -0.46400 1.000 C2 C -2.32600 -0.00500 0.57100 1.000 C3 C -0.96200 0.03800 0.30700 1.000 C4 C 2.59400 0.08200 -2.92100 1.000 C5 C 3.02600 0.06200 -4.21000 1.000 C6 C 2.12300 0.00000 -5.27100 1.000 C7 C 0.78200 -0.04300 -5.04400 1.000 C8 C -1.08500 -0.06900 -3.46000 1.000 N9 N 0.77800 0.05800 -1.38200 1.000 C10 C -1.49600 -0.04700 -2.11100 1.000 C11 C -0.51400 0.02400 -1.08700 1.000 C12 C 0.29800 -0.02400 -3.72500 1.000 C13 C 1.21300 0.03900 -2.64300 1.000 N14 N -2.00400 -0.13100 -4.48300 1.000 C15 C 0.01200 0.10500 1.40700 1.000 O16 O 1.20300 0.14300 1.16300 1.000 N17 N -0.41400 0.12300 2.68600 1.000 N18 N 0.78800 0.26400 6.21800 1.000 C19 C 0.55600 0.19000 3.78100 1.000 C20 C -0.18400 0.19800 5.12000 1.000 C21 C 0.01600 0.26900 7.46700 1.000 C22 C 1.54100 -0.99600 6.19200 1.000 H23 H -3.60100 -0.13900 -2.54900 1.000 H24 H -4.30000 -0.10300 -0.23000 1.000 H25 H -2.67200 0.00900 1.59400 1.000 H26 H 3.30800 0.13100 -2.11200 1.000 H27 H 4.08500 0.09500 -4.41600 1.000 H28 H 2.49300 -0.01400 -6.28600 1.000 H29 H 0.09200 -0.09200 -5.87400 1.000 H30 H -1.70400 -0.14600 -5.40500 1.000 H31 H -2.95300 -0.16100 -4.28200 1.000 H32 H -1.36300 0.09300 2.88100 1.000 H33 H 1.14800 1.10000 3.68800 1.000 H34 H 1.21500 -0.67700 3.73600 1.000 H35 H -0.77600 -0.71200 5.21300 1.000 H36 H -0.84300 1.06500 5.16500 1.000 H37 H 0.69800 0.31700 8.31600 1.000 H38 H -0.64500 1.13500 7.48200 1.000 H39 H -0.57800 -0.64200 7.53000 1.000 H40 H 2.13400 -1.04700 5.27800 1.000 H41 H 2.20200 -1.04300 7.05700 1.000 H42 H 0.84600 -1.83500 6.22000 1.000