# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '0DS' 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 -4.54700 -0.28900 0.92000 1.000 C1 C -5.88700 -0.03500 0.27900 1.000 O2 O -5.94800 0.34700 -0.87100 1.000 N3 N -7.01900 -0.23300 0.98300 1.000 O4 O -8.27900 0.00600 0.38100 1.000 C5 C -2.10300 -0.36000 0.51000 1.000 O6 O -1.97000 -0.40600 1.71500 1.000 C7 C -3.43500 0.01000 -0.08800 1.000 C8 C -3.44400 1.50100 -0.43100 1.000 C9 C -2.44000 1.77300 -1.55200 1.000 C10 C -2.91500 1.09100 -2.83800 1.000 C11 C -2.33100 3.28100 -1.78500 1.000 N12 N -1.05800 -0.64000 -0.29400 1.000 C13 C 0.20400 -1.11100 0.28200 1.000 C14 C 1.34800 -0.70200 -0.61000 1.000 O15 O 1.13900 -0.41100 -1.76800 1.000 C16 C 0.17200 -2.63600 0.40300 1.000 C17 C 1.44800 -3.12000 1.09600 1.000 C18 C 1.47000 -2.61000 2.53800 1.000 C19 C 1.47900 -4.65000 1.09500 1.000 N20 N 2.60200 -0.65900 -0.12000 1.000 C21 C 3.70100 -0.17500 -0.96000 1.000 C22 C 4.22400 -1.30800 -1.80400 1.000 O23 O 3.72800 -2.41100 -1.71300 1.000 C24 C 4.82500 0.36100 -0.07200 1.000 C25 C 4.33700 1.57100 0.68200 1.000 C26 C 3.74300 1.42000 1.92100 1.000 C27 C 4.48800 2.83200 0.13700 1.000 C28 C 3.29500 2.53000 2.61200 1.000 C29 C 4.04000 3.94200 0.82800 1.000 C30 C 3.44100 3.79100 2.06500 1.000 N31 N 5.24200 -1.09600 -2.66100 1.000 H32 H -4.43200 0.35700 1.79000 1.000 H33 H -4.48500 -1.33200 1.23100 1.000 H34 H -6.97100 -0.53800 1.90300 1.000 H35 H -9.03200 -0.16400 0.96400 1.000 H36 H -3.60100 -0.57200 -0.99500 1.000 H37 H -4.44300 1.79300 -0.75800 1.000 H38 H -3.16800 2.07800 0.45200 1.000 H39 H -1.46500 1.37700 -1.27000 1.000 H40 H -2.19900 1.28500 -3.63700 1.000 H41 H -2.99200 0.01700 -2.67200 1.000 H42 H -3.89000 1.48700 -3.12000 1.000 H43 H -1.99300 3.76600 -0.86900 1.000 H44 H -1.61600 3.47500 -2.58400 1.000 H45 H -3.30700 3.67700 -2.06700 1.000 H46 H -1.14100 -0.53000 -1.25400 1.000 H47 H 0.33900 -0.67200 1.27100 1.000 H48 H -0.69600 -2.93600 0.99000 1.000 H49 H 0.10800 -3.07800 -0.59100 1.000 H50 H 2.31800 -2.73900 0.56200 1.000 H51 H 2.41000 -2.89500 3.01000 1.000 H52 H 1.37700 -1.52400 2.54000 1.000 H53 H 0.63800 -3.04700 3.09100 1.000 H54 H 1.46400 -5.01300 0.06800 1.000 H55 H 2.38800 -4.99400 1.58900 1.000 H56 H 0.60900 -5.03100 1.62900 1.000 H57 H 2.77900 -0.94800 0.78900 1.000 H58 H 3.33800 0.62300 -1.60800 1.000 H59 H 5.12700 -0.41100 0.63700 1.000 H60 H 5.67700 0.63800 -0.69200 1.000 H61 H 3.62800 0.43500 2.34900 1.000 H62 H 4.95600 2.95000 -0.82900 1.000 H63 H 2.83000 2.41300 3.58000 1.000 H64 H 4.15900 4.92800 0.40200 1.000 H65 H 3.09100 4.65800 2.60500 1.000 H66 H 5.63900 -0.21300 -2.73400 1.000 H67 H 5.57900 -1.82500 -3.20400 1.000