# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9RR' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy N0 N 10.97200 2.34300 -0.37100 1.000 C1 C 9.75100 1.69400 -0.31700 1.000 N2 N 9.39400 0.91100 -1.32400 1.000 C3 C 8.23000 0.27300 -1.30800 1.000 N4 N 7.86100 -0.54500 -2.36200 1.000 N5 N 8.97500 1.87100 0.74300 1.000 C6 C 7.80000 1.27000 0.83600 1.000 C7 C 6.92900 1.48100 2.04700 1.000 C8 C 7.17800 0.35800 3.05600 1.000 C9 C 7.37800 0.44100 -0.20100 1.000 C10 C 6.06800 -0.25100 -0.13700 1.000 C11 C 6.01600 -1.63700 0.00100 1.000 C12 C 4.79600 -2.27800 0.06100 1.000 C13 C 4.88500 0.48400 -0.20900 1.000 C14 C 3.66800 -0.16300 -0.14900 1.000 C15 C 3.62000 -1.54400 -0.01700 1.000 O16 O 2.42000 -2.17800 0.04100 1.000 C17 C 1.25000 -1.36200 -0.04500 1.000 C18 C 0.00400 -2.24600 0.03800 1.000 C19 C -1.24800 -1.37200 -0.05400 1.000 O20 O -2.41200 -2.19700 0.02400 1.000 C21 C -3.61700 -1.57300 -0.04300 1.000 C22 C -3.67500 -0.19300 -0.18600 1.000 C23 C -4.89700 0.44400 -0.25400 1.000 C24 C -4.78700 -2.31600 0.02600 1.000 C25 C -6.01200 -1.68600 -0.04200 1.000 C26 C -6.07400 -0.30000 -0.17900 1.000 C27 C -7.38900 0.38200 -0.25200 1.000 C28 C -8.22700 0.43900 0.85900 1.000 C29 C -7.81100 -0.19300 2.16200 1.000 C30 C -7.15300 0.86200 3.05300 1.000 N31 N -9.39300 1.05600 0.75500 1.000 C32 C -7.82100 0.99300 -1.44400 1.000 N33 N -7.02400 0.96900 -2.57500 1.000 N34 N -9.00500 1.59200 -1.46500 1.000 C35 C -9.77100 1.61700 -0.38500 1.000 N36 N -11.00000 2.25100 -0.44600 1.000 H37 H 11.24900 2.91600 0.36100 1.000 H38 H 11.55300 2.22000 -1.13800 1.000 H39 H 8.45500 -0.65500 -3.12100 1.000 H40 H 7.00900 -1.00800 -2.34200 1.000 H41 H 7.16900 2.44100 2.50500 1.000 H42 H 5.88100 1.47300 1.74700 1.000 H43 H 7.02300 -0.60600 2.57300 1.000 H44 H 8.20300 0.42000 3.42300 1.000 H45 H 6.48600 0.46100 3.89300 1.000 H46 H 6.93000 -2.20900 0.06100 1.000 H47 H 4.75500 -3.35200 0.16700 1.000 H48 H 4.92200 1.55800 -0.31100 1.000 H49 H 2.75200 0.40600 -0.20400 1.000 H50 H 1.24400 -0.64700 0.77900 1.000 H51 H 1.25100 -0.82300 -0.99300 1.000 H52 H 0.01000 -2.96000 -0.78500 1.000 H53 H 0.00300 -2.78400 0.98600 1.000 H54 H -1.25400 -0.65800 0.77000 1.000 H55 H -1.24700 -0.83400 -1.00100 1.000 H56 H -2.76300 0.38200 -0.24400 1.000 H57 H -4.94200 1.51700 -0.36500 1.000 H58 H -4.73900 -3.39000 0.13300 1.000 H59 H -6.92200 -2.26500 0.01200 1.000 H60 H -8.68900 -0.59800 2.66600 1.000 H61 H -7.10100 -0.99700 1.96600 1.000 H62 H -6.32800 1.33000 2.51500 1.000 H63 H -7.88800 1.62100 3.32200 1.000 H64 H -6.77300 0.38800 3.95800 1.000 H65 H -6.16000 0.52900 -2.55100 1.000 H66 H -7.33000 1.39300 -3.39300 1.000 H67 H -11.28900 2.66900 -1.27200 1.000 H68 H -11.57200 2.27700 0.33700 1.000