# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9N9' 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 1.24300 1.63400 0.37500 1.000 C1 C 4.15500 -0.23200 -0.70500 1.000 C2 C 3.34500 0.80200 -0.50600 1.000 C3 C 6.33900 -1.84200 -0.14200 1.000 C4 C 5.36400 -0.10000 -1.60300 1.000 O5 O -5.00100 0.97600 1.65600 1.000 C6 C -4.71300 0.47800 0.58700 1.000 C7 C -5.54000 -0.54900 0.02800 1.000 C8 C -6.21800 -1.39100 -0.42900 1.000 C9 C -7.04500 -2.41800 -0.98800 1.000 C10 C -8.13400 -2.82800 -0.33200 1.000 C11 C -9.00500 -3.90900 -0.91900 1.000 C12 C -3.48400 0.94100 -0.15300 1.000 C13 C -3.85400 2.09900 -1.08200 1.000 C14 C -2.43000 1.41000 0.85200 1.000 C15 C -1.98600 0.23100 1.75700 1.000 C16 C -0.44500 0.10600 1.58700 1.000 C17 C -0.03900 1.51300 1.14400 1.000 C18 C -1.16700 1.84900 0.12700 1.000 C19 C -0.98300 0.99500 -1.12900 1.000 C20 C -1.02500 3.30600 -0.24800 1.000 C21 C 0.27500 3.45100 -1.05700 1.000 C22 C 1.49400 2.99400 -0.25900 1.000 C23 C 2.10200 0.62600 0.26100 1.000 C24 C 3.88700 -1.55900 -0.03300 1.000 C25 C 6.61000 -0.51300 -0.80900 1.000 O26 O 6.90000 0.47300 0.18500 1.000 C27 C 7.13700 -2.86100 -0.33800 1.000 C28 C 5.13600 -1.96800 0.75700 1.000 O29 O 5.00100 -3.32400 1.18900 1.000 H30 H 3.59900 1.77200 -0.90700 1.000 H31 H 5.24900 -0.75200 -2.46900 1.000 H32 H -6.78800 -2.86100 -1.93900 1.000 H33 H -8.39100 -2.38500 0.61900 1.000 H34 H -8.41700 -4.81800 -1.04900 1.000 H35 H -9.84000 -4.10900 -0.24700 1.000 H36 H -9.38700 -3.58200 -1.88600 1.000 H37 H -3.08200 0.11700 -0.74200 1.000 H38 H -4.60400 1.76500 -1.79800 1.000 H39 H -4.25500 2.92400 -0.49200 1.000 H40 H -2.96500 2.43400 -1.61700 1.000 H41 H -2.82200 2.22700 1.45800 1.000 H42 H -2.23200 0.44400 2.79700 1.000 H43 H -2.47500 -0.69000 1.43800 1.000 H44 H 0.02800 -0.15300 2.53400 1.000 H45 H -0.20000 -0.62700 0.81800 1.000 H46 H -0.04800 2.20100 1.98900 1.000 H47 H -1.15600 -0.05300 -0.88400 1.000 H48 H -1.69400 1.31200 -1.89100 1.000 H49 H 0.03300 1.11700 -1.50500 1.000 H50 H -1.87600 3.61600 -0.85500 1.000 H51 H -0.97100 3.91600 0.65300 1.000 H52 H 0.19800 2.85100 -1.96400 1.000 H53 H 0.40500 4.49700 -1.33500 1.000 H54 H 1.70300 3.72300 0.52500 1.000 H55 H 2.35400 2.92700 -0.92400 1.000 H56 H 1.88700 -0.32200 0.73100 1.000 H57 H 3.04000 -1.46100 0.64600 1.000 H58 H 3.66500 -2.31300 -0.78800 1.000 H59 H 7.45600 -0.61000 -1.48900 1.000 H60 H 7.67100 0.26600 0.73000 1.000 H61 H 7.99900 -2.75700 -0.98100 1.000 H62 H 6.93500 -3.80700 0.14300 1.000 H63 H 5.25800 -1.31900 1.62400 1.000 H64 H 5.76100 -3.65800 1.68300 1.000 H65 H 5.46300 0.93400 -1.93400 1.000