# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'JQ4' 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 1.35800 -1.19500 -0.40100 1.000 C1 C -0.67000 -2.66800 -0.37100 1.000 C2 C -2.90100 0.49300 -1.67400 1.000 C3 C 3.10200 2.74500 -0.02200 1.000 C4 C 2.53200 1.41200 -0.50900 1.000 C5 C 1.08200 1.27500 -0.03900 1.000 O6 O 1.05100 1.16400 1.38500 1.000 C7 C 0.46000 0.02300 -0.66200 1.000 N8 N -0.84100 -0.26400 -0.02600 1.000 C9 C -0.94900 -1.56800 0.65900 1.000 C10 C 0.13300 -1.62400 1.74400 1.000 C11 C 1.52100 -1.38100 1.11000 1.000 O12 O 2.63800 -0.98700 -1.00000 1.000 C13 C 0.70200 -2.43800 -1.00800 1.000 S14 S -2.10100 0.81000 -0.07700 1.000 O15 O -1.47500 2.08500 -0.07700 1.000 O16 O -2.94700 0.40900 0.99200 1.000 H17 H -0.68200 -3.64000 0.12300 1.000 H18 H -1.43800 -2.64500 -1.14500 1.000 H19 H -3.24500 -0.54000 -1.71000 1.000 H20 H -3.75200 1.16400 -1.79400 1.000 H21 H -2.18600 0.66600 -2.47900 1.000 H22 H 2.50900 3.56400 -0.42900 1.000 H23 H 3.06800 2.77800 1.06700 1.000 H24 H 4.13500 2.84200 -0.35600 1.000 H25 H 2.56500 1.37800 -1.59800 1.000 H26 H 3.12400 0.59200 -0.10200 1.000 H27 H 0.51600 2.15400 -0.34700 1.000 H28 H 1.90300 0.92900 1.78000 1.000 H29 H 0.32900 0.16700 -1.73400 1.000 H30 H -1.94200 -1.69200 1.09200 1.000 H31 H -0.05800 -0.85100 2.48800 1.000 H32 H 0.11600 -2.60200 2.22400 1.000 H33 H 2.16100 -2.24300 1.29900 1.000 H34 H 1.97100 -0.49300 1.55300 1.000 H35 H 3.25600 -1.71900 -0.87400 1.000 H36 H 0.58300 -2.29600 -2.08200 1.000 H37 H 1.33500 -3.30600 -0.82700 1.000