# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'C5V' 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 3.41300 1.87500 1.30900 1.000 C1 C 1.99400 1.78500 0.81000 1.000 C2 C 1.06100 1.04600 1.51400 1.000 C3 C 5.21500 -1.25200 0.42600 1.000 C4 C 5.54800 -0.43200 -0.67100 1.000 C5 C 4.87700 0.86200 -0.42800 1.000 C6 C 5.69600 -2.55000 0.48700 1.000 C7 C 6.50300 -3.03300 -0.53100 1.000 C8 C 6.83100 -2.22800 -1.60700 1.000 C9 C 6.36000 -0.92700 -1.68000 1.000 C10 C -2.64100 0.40900 -0.37600 1.000 C11 C -4.09600 0.36000 -0.76800 1.000 C12 C -4.85000 -0.94900 -0.52200 1.000 C13 C -4.47900 -0.53500 -1.94800 1.000 C14 C -6.30000 -0.85200 -0.12400 1.000 C15 C -7.21500 -0.24100 -0.95900 1.000 C16 C -8.93300 -0.63900 0.52400 1.000 C17 C -8.07600 -1.26900 1.40800 1.000 C18 C -6.73300 -1.38100 1.08300 1.000 C19 C -0.24100 0.96200 1.06000 1.000 C20 C -0.61200 1.62000 -0.10600 1.000 C21 C 0.32800 2.36100 -0.81000 1.000 C22 C 1.62700 2.44500 -0.34800 1.000 N23 N -1.92900 1.53700 -0.56900 1.000 N24 N 4.20300 0.78400 0.73400 1.000 C25 C 4.35200 -0.42900 1.29800 1.000 O26 O 3.85900 -0.78700 2.34900 1.000 O27 O 4.92500 1.83400 -1.15500 1.000 O28 O -2.11200 -0.56600 0.11400 1.000 N29 N -8.48600 -0.15300 -0.61700 1.000 H30 H 3.84300 2.83100 1.01200 1.000 H31 H 3.42200 1.79500 2.39700 1.000 H32 H 1.35000 0.53400 2.42000 1.000 H33 H 5.44400 -3.18300 1.32600 1.000 H34 H 6.87900 -4.04400 -0.48400 1.000 H35 H 7.46100 -2.61600 -2.39300 1.000 H36 H 6.61900 -0.30300 -2.52300 1.000 H37 H -4.64800 1.29100 -0.64100 1.000 H38 H -4.29400 -1.77400 -0.07700 1.000 H39 H -5.28500 -0.19300 -2.59800 1.000 H40 H -3.68000 -1.08800 -2.44100 1.000 H41 H -6.88700 0.16900 -1.90200 1.000 H42 H -9.98000 -0.54800 0.77000 1.000 H43 H -8.44800 -1.66400 2.34100 1.000 H44 H -6.04100 -1.86800 1.75300 1.000 H45 H -0.96900 0.38500 1.61000 1.000 H46 H 0.04300 2.87400 -1.71700 1.000 H47 H 2.35800 3.02100 -0.89500 1.000 H48 H -2.33000 2.29000 -1.03000 1.000