# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '0VB' 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 3.72300 2.34900 1.49100 1.000 C1 C 2.91600 1.48500 -0.61300 1.000 C2 C 3.10600 3.55400 1.23000 1.000 C3 C 2.30500 2.69400 -0.87100 1.000 C4 C -2.87100 -2.27500 -0.63900 1.000 C5 C -2.87800 0.08500 -1.05700 1.000 C6 C 3.63500 1.30700 0.56900 1.000 C7 C 3.73300 -1.25100 0.43100 1.000 C8 C -2.36000 -1.17300 -1.30100 1.000 C9 C -3.90400 -2.12200 0.26500 1.000 C10 C -4.42700 -0.86000 0.51300 1.000 C11 C 2.39600 3.73000 0.05000 1.000 C12 C -3.90800 0.24600 -0.15000 1.000 C13 C 4.30300 0.01300 0.84400 1.000 C14 C 4.50900 -2.33200 0.78100 1.000 C15 C 2.45300 -1.36800 -0.28500 1.000 C16 C -6.50000 0.12300 1.14200 1.000 C17 C 1.22300 -1.33900 -2.30100 1.000 C18 C -4.46300 -3.32400 0.98200 1.000 C19 C 4.21300 -3.78500 0.51100 1.000 C20 C -7.58300 0.36100 2.16300 1.000 C21 C 1.07400 5.03100 -1.43800 1.000 C22 C -1.23700 -1.34500 -2.29100 1.000 N23 N 5.44100 -0.06000 1.47200 1.000 N24 N 2.43000 -1.34800 -1.63200 1.000 N25 N 1.19700 -1.44500 -3.59900 1.000 N26 N -5.47400 -0.70200 1.42800 1.000 N27 N 0.04800 -1.21800 -1.59800 1.000 O28 O 1.41600 -1.48400 0.34000 1.000 O29 O -6.55200 0.67500 0.06300 1.000 O30 O 1.78800 4.91800 -0.20500 1.000 S31 S 5.88400 -1.69000 1.58700 1.000 Cl32 Cl -4.55900 1.82600 0.15600 1.000 H33 H 4.27900 2.21400 2.40700 1.000 H34 H 2.84500 0.68000 -1.32900 1.000 H35 H 3.17400 4.36100 1.94400 1.000 H36 H 1.75700 2.83600 -1.79000 1.000 H37 H -2.46300 -3.25700 -0.83200 1.000 H38 H -2.47800 0.94300 -1.57600 1.000 H39 H -3.91600 -3.48100 1.91100 1.000 H40 H -5.51700 -3.15700 1.20400 1.000 H41 H -4.36100 -4.20500 0.34700 1.000 H42 H 4.63800 -4.07000 -0.45100 1.000 H43 H 4.65300 -4.39800 1.29800 1.000 H44 H 3.13400 -3.93900 0.49200 1.000 H45 H -7.36700 -0.21500 3.06300 1.000 H46 H -7.62300 1.42100 2.41100 1.000 H47 H -8.54400 0.04700 1.75300 1.000 H48 H 1.75900 4.86800 -2.27000 1.000 H49 H 0.28100 4.28400 -1.46800 1.000 H50 H 0.63800 6.02700 -1.51500 1.000 H51 H -1.30600 -2.33100 -2.75100 1.000 H52 H -1.31100 -0.57800 -3.06200 1.000 H53 H 3.26100 -1.33900 -2.13200 1.000 H54 H 2.02600 -1.45700 -4.10100 1.000 H55 H -5.46100 -1.18700 2.26900 1.000 H56 H 0.06900 -1.04900 -0.64300 1.000