# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '0D6' 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 4.75500 2.66200 -0.20900 1.000 C1 C 3.61600 2.29800 0.41400 1.000 O2 O 3.49400 2.47600 1.61000 1.000 C3 C 5.81600 3.37600 0.51500 1.000 C4 C 7.14300 2.64600 0.28000 1.000 N5 N 7.36800 2.49800 -1.16400 1.000 C6 C 6.32800 1.66400 -1.78200 1.000 C7 C 4.97100 2.34900 -1.63000 1.000 N8 N 2.61300 1.73700 -0.29000 1.000 C9 C 1.33600 1.44100 0.36400 1.000 C10 C 0.69000 0.25600 -0.30700 1.000 O11 O 1.05300 -0.08700 -1.41200 1.000 C12 C 0.41200 2.65600 0.25300 1.000 C13 C -0.87000 2.39600 1.04600 1.000 C14 C -0.53400 2.27900 2.53400 1.000 C15 C -1.84500 3.55600 0.83300 1.000 C16 C -3.16800 -0.71700 -0.25400 1.000 C17 C -2.26900 -1.85700 0.22900 1.000 C18 C -0.84500 -1.63600 -0.28400 1.000 N19 N -0.29100 -0.42200 0.32100 1.000 C20 C 0.02500 -2.83600 0.09300 1.000 C21 C 1.41500 -2.67400 -0.52700 1.000 C22 C 2.27200 -3.85600 -0.15600 1.000 C23 C 2.29500 -4.97500 -0.96700 1.000 C24 C 3.08100 -6.06000 -0.62700 1.000 C25 C 3.84500 -6.02600 0.52500 1.000 C26 C 3.82200 -4.90700 1.33600 1.000 C27 C 3.03900 -3.82000 0.99300 1.000 C28 C -7.19800 2.54500 -1.25400 1.000 C29 C -7.10000 1.38300 -1.99700 1.000 C30 C -6.38500 0.30700 -1.50500 1.000 C31 C -5.76800 0.39200 -0.27100 1.000 S32 S -4.85700 -0.97900 0.35500 1.000 O33 O -5.44500 -2.10900 -0.27600 1.000 O34 O -4.90900 -0.82000 1.76600 1.000 C35 C -5.86600 1.55400 0.47200 1.000 C36 C -6.58100 2.63100 -0.02000 1.000 H37 H 5.89000 4.39800 0.14200 1.000 H38 H 5.58800 3.38800 1.58100 1.000 H39 H 7.95800 3.22200 0.71800 1.000 H40 H 7.10300 1.66100 0.74500 1.000 H41 H 7.42500 3.39800 -1.61500 1.000 H42 H 6.55200 1.52900 -2.84000 1.000 H43 H 6.29900 0.69300 -1.28900 1.000 H44 H 4.18400 1.68200 -1.98200 1.000 H45 H 4.96200 3.27000 -2.21300 1.000 H46 H 2.73600 1.52800 -1.22900 1.000 H47 H 1.51000 1.21200 1.41600 1.000 H48 H 0.91700 3.53400 0.65600 1.000 H49 H 0.16300 2.82800 -0.79400 1.000 H50 H -1.32800 1.46800 0.70300 1.000 H51 H -1.43400 2.01400 3.09000 1.000 H52 H 0.22200 1.50700 2.67700 1.000 H53 H -0.15200 3.23300 2.89700 1.000 H54 H -2.08400 3.63900 -0.22700 1.000 H55 H -2.75900 3.37100 1.39800 1.000 H56 H -1.38700 4.48300 1.17600 1.000 H57 H -2.78800 0.23100 0.12600 1.000 H58 H -3.17400 -0.69600 -1.34300 1.000 H59 H -2.26300 -1.87800 1.31900 1.000 H60 H -2.64900 -2.80600 -0.15000 1.000 H61 H -0.86300 -1.52600 -1.36800 1.000 H62 H -0.63000 -0.10600 1.17300 1.000 H63 H 0.11500 -2.89400 1.17700 1.000 H64 H -0.43500 -3.75100 -0.28200 1.000 H65 H 1.32400 -2.61700 -1.61200 1.000 H66 H 1.87500 -1.76000 -0.15200 1.000 H67 H 1.69800 -5.00200 -1.86700 1.000 H68 H 3.09800 -6.93400 -1.26000 1.000 H69 H 4.45800 -6.87400 0.79100 1.000 H70 H 4.41900 -4.88000 2.23600 1.000 H71 H 3.02500 -2.94400 1.62500 1.000 H72 H -7.75200 3.38800 -1.64000 1.000 H73 H -7.58200 1.31600 -2.96000 1.000 H74 H -6.30900 -0.60100 -2.08500 1.000 H75 H -5.38400 1.62100 1.43600 1.000 H76 H -6.65700 3.53800 0.56000 1.000