# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9YA' 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 -2.08000 3.51200 -0.94600 1.000 C1 C -1.02000 2.65200 -0.68100 1.000 C2 C -0.57300 1.78100 -1.67100 1.000 C3 C -2.69000 3.49800 -2.20000 1.000 C4 C -2.23900 2.63600 -3.18000 1.000 C5 C 2.29600 -2.40400 -1.49200 1.000 C6 C 2.02200 -3.19300 -0.21100 1.000 C7 C 0.55700 0.86000 -1.39500 1.000 C8 C 2.62300 -4.59500 -0.10200 1.000 C9 C 1.11700 -4.42100 -0.31700 1.000 C10 C -3.27400 -2.78100 0.35400 1.000 C11 C -2.29300 -3.61400 -0.15200 1.000 C12 C -1.38000 -3.12800 -1.07000 1.000 C13 C -1.44700 -1.81000 -1.48100 1.000 C14 C -0.44800 -1.28000 -2.47600 1.000 C15 C 0.62000 -0.50300 -1.75100 1.000 C16 C 1.80600 -0.98800 -1.32600 1.000 C17 C -1.19000 1.77600 -2.92100 1.000 C18 C -2.56600 4.43900 0.10600 1.000 C19 C -3.63200 5.29800 -0.15600 1.000 C20 C -4.08000 6.15800 0.82600 1.000 C21 C -3.47200 6.16900 2.06900 1.000 C22 C -2.41400 5.31900 2.33400 1.000 C23 C -1.96200 4.45000 1.36100 1.000 C24 C 3.74500 -0.05900 -0.14600 1.000 C25 C 5.58000 0.62200 0.91600 1.000 C26 C 5.96800 -0.66000 0.74100 1.000 C27 C 6.42200 1.61800 1.59600 1.000 C28 C -2.42800 -0.97800 -0.97500 1.000 C29 C -3.34400 -1.46400 -0.06200 1.000 N30 N -3.79600 -3.15400 3.03000 1.000 N31 N 2.47900 0.02600 -0.72000 1.000 N32 N 1.67900 1.17400 -0.78200 1.000 N33 N 4.37300 0.91700 0.42800 1.000 O34 O -5.58200 -2.56200 1.43200 1.000 O35 O -4.48800 -4.80700 1.33300 1.000 O36 O 5.98300 2.88300 1.74500 1.000 O37 O 7.51500 1.29900 2.02300 1.000 S38 S -4.43800 -3.39900 1.52300 1.000 S39 S 4.73400 -1.51300 -0.07900 1.000 H40 H -0.54500 2.66000 0.28900 1.000 H41 H -3.51600 4.16200 -2.40500 1.000 H42 H -2.71400 2.62800 -4.15000 1.000 H43 H 3.36800 -2.39600 -1.69200 1.000 H44 H 1.77500 -2.87300 -2.32600 1.000 H45 H 1.96100 -2.60000 0.70200 1.000 H46 H 3.21300 -4.95700 -0.94500 1.000 H47 H 2.95600 -4.92600 0.88100 1.000 H48 H 0.46100 -4.63700 0.52600 1.000 H49 H 0.71700 -4.66800 -1.30100 1.000 H50 H -2.24100 -4.64300 0.16900 1.000 H51 H -0.61400 -3.77900 -1.46500 1.000 H52 H 0.00900 -2.11200 -3.01200 1.000 H53 H -0.95400 -0.62600 -3.18600 1.000 H54 H -0.84400 1.10000 -3.69000 1.000 H55 H -4.10700 5.29000 -1.12600 1.000 H56 H -4.90600 6.82300 0.62400 1.000 H57 H -3.82500 6.84400 2.83400 1.000 H58 H -1.94200 5.33200 3.30600 1.000 H59 H -1.13800 3.78400 1.57100 1.000 H60 H 6.90800 -1.07900 1.06900 1.000 H61 H -2.48000 0.05200 -1.29600 1.000 H62 H -4.11000 -0.81400 0.33400 1.000 H63 H -2.92700 -2.73400 3.12500 1.000 H64 H -4.29000 -3.42900 3.81800 1.000 H65 H 6.57200 3.50200 2.19800 1.000