# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9TO' 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 3.89900 -2.15600 0.55400 1.000 C1 C 2.37300 -3.65700 -0.30000 1.000 C2 C 1.76100 -2.67700 -1.06000 1.000 C3 C 2.24300 -1.38000 -1.00800 1.000 C4 C -3.33400 -1.43100 0.92400 1.000 C5 C -4.71200 -1.35500 0.87300 1.000 C6 C -7.24600 0.75500 -0.72500 1.000 C7 C -5.32500 -0.36400 0.12000 1.000 C8 C -4.55400 0.55100 -0.58300 1.000 C9 C -3.17600 0.47600 -0.53300 1.000 C10 C -2.56200 -0.51200 0.22500 1.000 C11 C -0.40500 0.56900 0.22100 1.000 C12 C -0.32800 2.87300 0.18100 1.000 C13 C 1.05200 2.82100 0.11600 1.000 C14 C 1.67200 1.56700 0.11200 1.000 C15 C 3.14700 1.45700 0.04400 1.000 C16 C 4.03700 2.49000 0.10200 1.000 C17 C 3.89500 0.25900 -0.08700 1.000 C18 C 3.33900 -1.11300 -0.18100 1.000 N19 N -1.16400 -0.58800 0.27600 1.000 N20 N -1.01800 1.74400 0.23200 1.000 N21 N 0.91400 0.47300 0.16500 1.000 N22 N 5.27700 1.97100 0.01200 1.000 N23 N 5.16900 0.58100 -0.11000 1.000 N24 N 3.40500 -3.37500 0.47100 1.000 O25 O -6.68100 -0.29000 0.07000 1.000 H26 H 4.74800 -1.96500 1.19300 1.000 H27 H 1.99900 -4.67000 -0.33800 1.000 H28 H 0.91700 -2.92000 -1.68800 1.000 H29 H 1.78500 -0.59500 -1.59100 1.000 H30 H -2.85600 -2.20200 1.51000 1.000 H31 H -5.31200 -2.06700 1.41900 1.000 H32 H -6.92000 0.64100 -1.75900 1.000 H33 H -8.33300 0.70000 -0.67800 1.000 H34 H -6.91300 1.72000 -0.34400 1.000 H35 H -5.03200 1.32200 -1.16900 1.000 H36 H -2.57700 1.18900 -1.08000 1.000 H37 H -0.83800 3.82500 0.19100 1.000 H38 H 1.63800 3.72700 0.07400 1.000 H39 H 3.79100 3.53700 0.20100 1.000 H40 H -0.72800 -1.45100 0.35000 1.000 H41 H 6.10500 2.47600 0.02600 1.000