# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '95C' 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 2.34000 -1.36000 0.05400 1.000 C1 C 3.53900 -0.78600 0.48200 1.000 C2 C 3.68800 0.58500 0.46900 1.000 C3 C 2.65300 1.39600 0.03300 1.000 C4 C 1.46200 0.84200 -0.39300 1.000 C5 C 1.29700 -0.53600 -0.39200 1.000 C6 C 2.17500 -2.82600 0.06600 1.000 C7 C -1.07700 -0.55100 -0.44300 1.000 C8 C -2.37400 -1.22600 -0.80600 1.000 C9 C -3.52800 -0.42000 -0.26800 1.000 C10 C -4.09600 0.57500 -1.04200 1.000 C11 C -5.15400 1.31500 -0.54900 1.000 C12 C -5.64400 1.06100 0.71900 1.000 C13 C -5.07500 0.06700 1.49300 1.000 C14 C -4.02100 -0.67800 0.99700 1.000 N15 N 3.19400 -3.61700 0.45800 1.000 N16 N 2.82500 2.86600 0.02400 1.000 N17 N 0.09600 -1.09700 -0.82200 1.000 O18 O 1.11900 -3.32200 -0.27800 1.000 O19 O 1.91800 3.58300 -0.35800 1.000 O20 O 3.87400 3.35900 0.40000 1.000 O21 O -1.08700 0.48300 0.19000 1.000 H22 H 4.34800 -1.41400 0.82400 1.000 H23 H 4.61500 1.02800 0.80000 1.000 H24 H 0.66200 1.48200 -0.73500 1.000 H25 H -2.45500 -1.29800 -1.89000 1.000 H26 H -2.39700 -2.22600 -0.37300 1.000 H27 H -3.71400 0.77300 -2.03200 1.000 H28 H -5.59800 2.09200 -1.15300 1.000 H29 H -6.47000 1.64000 1.10500 1.000 H30 H -5.45700 -0.13100 2.48300 1.000 H31 H -3.57700 -1.45400 1.60200 1.000 H32 H 4.03600 -3.22100 0.73200 1.000 H33 H 3.08500 -4.58000 0.46500 1.000 H34 H 0.10400 -1.88000 -1.39400 1.000