# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9A5' 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 7.89600 3.21600 -1.39400 1.000 C1 C 6.84300 4.32100 -1.36300 1.000 C2 C 6.29200 4.42600 0.06400 1.000 C3 C 5.45200 3.18200 0.34700 1.000 C4 C 6.22400 1.93400 0.00900 1.000 C5 C 7.34900 1.94400 -0.79600 1.000 N6 N 7.99600 0.82400 -1.07400 1.000 C7 C 7.61400 -0.36300 -0.60100 1.000 C8 C 8.32400 -1.53500 -0.91400 1.000 C9 C 7.90800 -2.73100 -0.41300 1.000 Cl10 Cl 8.79000 -4.17500 -0.80400 1.000 C11 C 6.78500 -2.81500 0.40900 1.000 C12 C 6.07300 -1.69900 0.73200 1.000 C13 C 6.47400 -0.45200 0.23400 1.000 C14 C 5.76700 0.73100 0.54100 1.000 N15 N 4.64400 0.69600 1.35300 1.000 C16 C 3.44200 0.36300 0.57500 1.000 C17 C 2.20900 0.46100 1.47600 1.000 C18 C 0.95800 0.11400 0.66600 1.000 C19 C -0.27500 0.21200 1.56600 1.000 C20 C -1.52600 -0.13500 0.75700 1.000 C21 C -2.76000 -0.03800 1.65700 1.000 N22 N -3.95800 -0.36900 0.88200 1.000 C23 C -5.16900 -0.35000 1.47200 1.000 O24 O -5.26800 -0.05700 2.64500 1.000 C25 C -6.40200 -0.69100 0.67500 1.000 N26 N -7.48800 -1.06600 1.58900 1.000 C27 C -6.82700 0.52400 -0.15200 1.000 C28 C -7.98400 0.14700 -1.04100 1.000 C29 C -9.40200 0.15100 -0.67400 1.000 C30 C -10.10200 0.46700 0.49100 1.000 C31 C -11.46500 0.36500 0.51300 1.000 C32 C -12.15900 -0.05100 -0.61400 1.000 C33 C -11.48800 -0.36800 -1.77500 1.000 C34 C -10.10100 -0.27100 -1.82000 1.000 N35 N -9.16500 -0.51000 -2.80200 1.000 C36 C -7.91100 -0.25100 -2.32100 1.000 H37 H 8.19100 3.03000 -2.42700 1.000 H38 H 8.76800 3.53600 -0.82300 1.000 H39 H 7.29700 5.26900 -1.65200 1.000 H40 H 6.03400 4.07600 -2.05200 1.000 H41 H 7.11800 4.48100 0.77300 1.000 H42 H 5.67000 5.31700 0.15400 1.000 H43 H 5.18200 3.16300 1.40300 1.000 H44 H 4.54400 3.21700 -0.25500 1.000 H45 H 9.19600 -1.48700 -1.55000 1.000 H46 H 6.47500 -3.77600 0.79300 1.000 H47 H 5.20400 -1.77500 1.36900 1.000 H48 H 4.77000 0.04900 2.11700 1.000 H49 H 3.34200 1.06100 -0.25500 1.000 H50 H 3.53000 -0.65200 0.18800 1.000 H51 H 2.30900 -0.23800 2.30600 1.000 H52 H 2.12200 1.47500 1.86300 1.000 H53 H 0.85800 0.81200 -0.16500 1.000 H54 H 1.04600 -0.90100 0.27800 1.000 H55 H -0.17500 -0.48700 2.39700 1.000 H56 H -0.36300 1.22700 1.95400 1.000 H57 H -1.62700 0.56300 -0.07400 1.000 H58 H -1.43900 -1.15000 0.36900 1.000 H59 H -2.65900 -0.73600 2.48800 1.000 H60 H -2.84700 0.97800 2.04400 1.000 H61 H -3.87900 -0.60300 -0.05600 1.000 H62 H -6.18300 -1.52600 0.00800 1.000 H63 H -7.70900 -0.30800 2.21800 1.000 H64 H -8.30600 -1.36100 1.07700 1.000 H65 H -7.13000 1.33000 0.51600 1.000 H66 H -5.99000 0.85700 -0.76600 1.000 H67 H -9.56800 0.79100 1.37300 1.000 H68 H -12.00500 0.61000 1.41600 1.000 H69 H -13.23500 -0.12700 -0.58100 1.000 H70 H -12.03700 -0.69100 -2.64700 1.000 H71 H -9.36600 -0.81400 -3.70100 1.000 H72 H -6.99700 -0.35400 -2.88700 1.000