# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'DQM' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy O0 O 5.74900 -0.79500 1.88000 1.000 C1 C 6.02100 -0.51400 0.73600 1.000 O2 O 7.05800 -1.11100 0.12800 1.000 C3 C 5.19300 0.50100 -0.00800 1.000 C4 C 5.68600 1.90900 0.33100 1.000 C5 C 7.10700 2.09400 -0.20400 1.000 O6 O 4.82100 2.87400 -0.27100 1.000 C7 C 3.72600 0.36100 0.40200 1.000 C8 C 2.81800 1.14200 -0.57700 1.000 C9 C 3.48500 1.29600 -1.94500 1.000 N10 N 3.29500 -1.03700 0.28900 1.000 C11 C 2.15800 -1.15400 -0.27200 1.000 C12 C 1.47400 -2.44700 -0.51600 1.000 O13 O 2.05800 -3.60000 -0.13700 1.000 O14 O 0.38900 -2.46700 -1.05800 1.000 C15 C 1.59400 0.19600 -0.65600 1.000 S16 S 0.31400 0.71000 0.52200 1.000 C17 C -1.05600 -0.42000 0.15500 1.000 C18 C -1.73100 -0.05500 -1.19100 1.000 N19 N -3.10700 -0.58400 -1.07900 1.000 C20 C -3.45500 -0.68700 0.35000 1.000 C21 C -2.22400 -0.22100 1.15600 1.000 C22 C -4.65200 0.21400 0.66100 1.000 N23 N -5.77500 -0.14800 -0.20800 1.000 S24 S -7.30100 0.39000 0.14300 1.000 O25 O -8.14600 -0.09600 -0.89100 1.000 O26 O -7.51800 0.11100 1.51900 1.000 N27 N -7.28500 2.04000 -0.00300 1.000 H28 H 7.55800 -1.75800 0.64500 1.000 H29 H 5.28800 0.33100 -1.08100 1.000 H30 H 5.68400 2.04400 1.41200 1.000 H31 H 7.10900 1.95900 -1.28600 1.000 H32 H 7.45800 3.09800 0.03700 1.000 H33 H 7.76700 1.35800 0.25500 1.000 H34 H 3.95300 2.94100 0.15000 1.000 H35 H 3.58200 0.72000 1.42100 1.000 H36 H 2.53800 2.11200 -0.16600 1.000 H37 H 2.80700 1.81400 -2.62400 1.000 H38 H 4.40300 1.87400 -1.83800 1.000 H39 H 3.72000 0.31100 -2.34800 1.000 H40 H 1.57400 -4.41700 -0.31700 1.000 H41 H 1.19500 0.17000 -1.67000 1.000 H42 H -0.71500 -1.45600 0.15300 1.000 H43 H -1.75000 1.02600 -1.32500 1.000 H44 H -1.20800 -0.53200 -2.02000 1.000 H45 H -3.76300 0.00600 -1.56900 1.000 H46 H -3.69500 -1.72100 0.60000 1.000 H47 H -2.08400 -0.84300 2.04000 1.000 H48 H -2.32000 0.82900 1.43300 1.000 H49 H -4.94300 0.08500 1.70300 1.000 H50 H -4.37800 1.25500 0.48600 1.000 H51 H -5.62400 -0.70300 -0.98900 1.000 H52 H -8.09000 2.51100 -0.26900 1.000 H53 H -6.47000 2.53400 0.17800 1.000