# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '5V2' 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 4.28000 4.60300 0.03800 1.000 N1 N 3.31900 3.49900 0.09000 1.000 C2 C 3.76900 2.25000 0.38700 1.000 C3 C 2.92400 1.18900 0.44800 1.000 C4 C 3.44500 -0.16000 0.77500 1.000 C5 C 3.05600 -0.79500 1.95300 1.000 C6 C 3.54400 -2.05000 2.25200 1.000 C7 C 4.41900 -2.67900 1.38500 1.000 C8 C 4.81000 -2.05400 0.21400 1.000 C9 C 4.32300 -0.80100 -0.09800 1.000 C10 C 5.76400 -2.74500 -0.72500 1.000 F11 F 6.11100 -3.99600 -0.20100 1.000 F12 F 5.15100 -2.91500 -1.97100 1.000 F13 F 6.91700 -1.96700 -0.87500 1.000 C14 C 1.49200 1.38400 0.19100 1.000 S15 S 0.14600 0.25500 0.18700 1.000 C16 C -0.98600 1.53300 -0.22100 1.000 C17 C -0.34900 2.70500 -0.33500 1.000 C18 C 1.03100 2.66600 -0.11300 1.000 C19 C 2.02400 3.75500 -0.15200 1.000 O20 O 1.66800 4.89200 -0.40900 1.000 C21 C -2.43300 1.34400 -0.41100 1.000 N22 N -3.19100 2.36300 -0.71400 1.000 N23 N -2.98900 0.08800 -0.26900 1.000 C24 C -4.42900 -0.10100 -0.45800 1.000 C25 C -4.69800 -1.54700 -0.86200 1.000 C26 C -6.15300 -1.70300 -1.31100 1.000 S27 S -7.24700 -1.35100 0.09600 1.000 O28 O -8.58000 -1.23700 -0.38200 1.000 O29 O -6.95800 -2.27300 1.13900 1.000 C30 C -6.66500 0.29600 0.59500 1.000 C31 C -5.15600 0.23900 0.84000 1.000 H32 H 4.67400 4.69500 -0.97400 1.000 H33 H 3.78300 5.53100 0.32000 1.000 H34 H 5.09900 4.40500 0.72900 1.000 H35 H 4.82100 2.09900 0.57700 1.000 H36 H 2.37300 -0.30400 2.63100 1.000 H37 H 4.62500 -0.31600 -1.01400 1.000 H38 H 3.24300 -2.54300 3.16500 1.000 H39 H 4.79900 -3.66200 1.62200 1.000 H40 H -0.86700 3.62000 -0.58200 1.000 H41 H -4.14500 2.23800 -0.83900 1.000 H42 H -2.42600 -0.66900 -0.04300 1.000 H43 H -4.77800 0.56400 -1.24800 1.000 H44 H -4.03500 -1.82300 -1.68200 1.000 H45 H -4.51000 -2.20200 -0.01100 1.000 H46 H -4.93900 -0.52500 1.58700 1.000 H47 H -4.81200 1.20700 1.20500 1.000 H48 H -6.36200 -1.00400 -2.12000 1.000 H49 H -6.32000 -2.72400 -1.65600 1.000 H50 H -6.87900 1.01400 -0.19700 1.000 H51 H -7.17200 0.60000 1.51100 1.000