# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CMD' 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 1.23300 -0.76900 6.72600 1.000 C1 C 2.33300 -0.13900 7.28700 1.000 C2 C 3.19700 0.59600 6.50300 1.000 C3 C 2.97500 0.71800 5.13400 1.000 O4 O 3.82700 1.44300 4.36700 1.000 C5 C 1.86800 0.09300 4.55500 1.000 C6 C 1.61500 0.20300 3.10600 1.000 O7 O 2.47800 0.62700 2.36000 1.000 C8 C 0.30100 -0.20000 2.57300 1.000 C9 C -0.08500 0.15100 1.28300 1.000 O10 O 0.75500 0.87400 0.50200 1.000 C11 C -1.33800 -0.23400 0.78700 1.000 C12 C -1.68800 0.19200 -0.61500 1.000 O13 O -0.54700 0.01700 -1.45800 1.000 C14 C -2.84700 -0.63900 -1.15900 1.000 C15 C -3.98400 -0.61300 -0.13000 1.000 O16 O -5.16000 -1.19300 -0.69700 1.000 C17 C -4.26600 0.80900 0.27900 1.000 O18 O -3.74900 1.26600 1.27000 1.000 C19 C -5.19200 1.66200 -0.54800 1.000 O20 O -5.29800 2.96000 0.04000 1.000 C21 C -3.54700 -1.42200 1.08800 1.000 C22 C -2.19200 -0.96900 1.56900 1.000 C23 C -1.81800 -1.33200 2.87000 1.000 O24 O -2.66800 -2.05700 3.63800 1.000 C25 C -0.57800 -0.95200 3.37900 1.000 C26 C -0.17600 -1.32600 4.74700 1.000 O27 O -0.79700 -2.17100 5.36300 1.000 C28 C 0.99300 -0.66100 5.36100 1.000 C29 C 4.83800 1.95100 5.24000 1.000 C30 C -0.37100 1.24000 -2.17500 1.000 C31 C 1.00600 1.24700 -2.84100 1.000 C32 C 1.10900 0.04500 -3.78700 1.000 C33 C -0.08100 0.07700 -4.75100 1.000 O34 O 0.02400 1.21900 -5.60400 1.000 C35 C -1.37700 0.15900 -3.94100 1.000 O36 O -1.38700 1.35700 -3.16900 1.000 C37 C -2.57400 0.15900 -4.89400 1.000 N38 N 2.36400 0.12200 -4.54600 1.000 C39 C 2.67900 -1.24500 -4.98100 1.000 C40 C 4.06300 -1.26900 -5.63000 1.000 O41 O 5.05200 -0.90000 -4.67000 1.000 C42 C 4.77700 0.44300 -4.27600 1.000 C43 C 3.41100 0.51100 -3.59200 1.000 C44 C 1.67100 -1.69200 -5.95700 1.000 N45 N 0.89400 -2.03800 -6.71000 1.000 H46 H 0.56400 -1.34400 7.34800 1.000 H47 H 2.51500 -0.22600 8.34800 1.000 H48 H 4.05000 1.08100 6.95400 1.000 H49 H 0.61200 1.80400 0.72400 1.000 H50 H -1.97200 1.24400 -0.61000 1.000 H51 H -2.51900 -1.66700 -1.31700 1.000 H52 H -3.19400 -0.21500 -2.10100 1.000 H53 H -5.84100 -1.17100 -0.01100 1.000 H54 H -4.79600 1.75300 -1.55900 1.000 H55 H -6.17800 1.19800 -0.58400 1.000 H56 H -5.89800 3.47200 -0.51800 1.000 H57 H -3.49800 -2.47800 0.81900 1.000 H58 H -4.27500 -1.28900 1.88700 1.000 H59 H -3.21600 -1.42400 4.12200 1.000 H60 H 5.54900 2.54400 4.66600 1.000 H61 H 4.37700 2.57700 6.00400 1.000 H62 H 5.35800 1.12000 5.71600 1.000 H63 H -0.44300 2.07900 -1.48300 1.000 H64 H 1.13300 2.16900 -3.40700 1.000 H65 H 1.78000 1.17600 -2.07700 1.000 H66 H 1.08700 -0.87800 -3.20900 1.000 H67 H -0.08600 -0.82900 -5.35600 1.000 H68 H -0.74200 1.20000 -6.19300 1.000 H69 H -1.44300 -0.70100 -3.27600 1.000 H70 H -3.49700 0.21800 -4.31800 1.000 H71 H -2.50700 1.01900 -5.56200 1.000 H72 H -2.57000 -0.75800 -5.48200 1.000 H73 H 2.67000 -1.91100 -4.11900 1.000 H74 H 4.08600 -0.56500 -6.46200 1.000 H75 H 4.27300 -2.27300 -6.00000 1.000 H76 H 4.77400 1.08500 -5.15700 1.000 H77 H 5.54700 0.78300 -3.58300 1.000 H78 H 3.22800 1.52900 -3.24800 1.000 H79 H 3.39700 -0.16700 -2.74000 1.000