# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CA2' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy O0 O 3.30000 -2.57100 -1.46700 1.000 C1 C 3.78200 -2.13500 -0.44900 1.000 O2 O 4.76700 -2.80600 0.16900 1.000 C3 C 3.27800 -0.83700 0.12800 1.000 O4 O 3.31600 -0.90300 1.55500 1.000 C5 C 1.83800 -0.59900 -0.33300 1.000 C6 C 1.32600 0.71800 0.25200 1.000 C7 C 2.21300 1.86900 -0.22900 1.000 O8 O 1.73400 3.09900 0.31800 1.000 C9 C 3.65200 1.63100 0.23200 1.000 O10 O 4.48000 2.70500 -0.21700 1.000 C11 C 4.16400 0.31300 -0.35300 1.000 C12 C -0.11300 0.95600 -0.20900 1.000 C13 C -1.02400 -0.11800 0.38800 1.000 C14 C -2.48000 0.19300 0.03500 1.000 O15 O -3.33100 -0.81000 0.59300 1.000 C16 C -4.60400 -0.48200 0.24800 1.000 C17 C -5.66200 -1.28200 0.65300 1.000 C18 C -6.95500 -0.94600 0.30200 1.000 C19 C -7.19500 0.18700 -0.45400 1.000 C20 C -6.14200 0.98600 -0.86000 1.000 C21 C -4.84700 0.65800 -0.50500 1.000 H22 H 5.09100 -3.63900 -0.20100 1.000 H23 H 4.23800 -1.05400 1.80300 1.000 H24 H 1.80900 -0.54900 -1.42200 1.000 H25 H 1.20700 -1.41900 0.00900 1.000 H26 H 1.35500 0.66800 1.34000 1.000 H27 H 2.18400 1.91900 -1.31700 1.000 H28 H 2.31900 3.79600 -0.00900 1.000 H29 H 3.68100 1.58000 1.32100 1.000 H30 H 5.37600 2.51700 0.09400 1.000 H31 H 4.13500 0.36400 -1.44200 1.000 H32 H 5.18900 0.14400 -0.02500 1.000 H33 H -0.44400 1.93900 0.12500 1.000 H34 H -0.15900 0.90700 -1.29700 1.000 H35 H -0.75200 -1.09300 -0.01800 1.000 H36 H -0.90800 -0.13200 1.47200 1.000 H37 H -2.75200 1.16700 0.44100 1.000 H38 H -2.59600 0.20700 -1.04900 1.000 H39 H -5.47500 -2.16700 1.24300 1.000 H40 H -7.77900 -1.56900 0.61700 1.000 H41 H -8.20600 0.44800 -0.72800 1.000 H42 H -6.33200 1.87000 -1.45000 1.000 H43 H -4.02500 1.28200 -0.82200 1.000