# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'C2Q' 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 5.84100 1.67100 -1.19700 1.000 C1 C 4.65400 0.76600 -0.99400 1.000 C2 C 4.14300 0.06400 -2.04300 1.000 C3 C 3.04500 -0.77900 -1.87500 1.000 C4 C 2.45300 -0.92400 -0.65800 1.000 C5 C 1.26700 -1.84100 -0.49800 1.000 C6 C -0.00300 -1.03100 -0.54100 1.000 C7 C 0.00400 0.27100 -0.99900 1.000 C8 C -1.18200 0.99700 -1.02900 1.000 O9 O -1.16400 2.14800 -1.43600 1.000 N10 N -2.36700 0.45600 -0.61500 1.000 C11 C -2.37300 -0.82400 -0.16500 1.000 S12 S -4.01200 -1.29400 0.30900 1.000 C13 C -4.79700 0.29300 -0.10000 1.000 C14 C -3.65000 1.15600 -0.61900 1.000 C15 C -3.53600 2.38500 0.24700 1.000 O16 O -4.59300 3.19700 0.40100 1.000 O17 O -2.49300 2.63800 0.80100 1.000 C18 C -1.21100 -1.57800 -0.12600 1.000 N19 N -1.25400 -2.89700 0.33700 1.000 C20 C -0.53100 -3.76800 -0.59900 1.000 C21 C -0.62300 -2.97100 1.66200 1.000 C22 C 2.95300 -0.21700 0.44800 1.000 C23 C 2.36800 -0.34100 1.71900 1.000 C24 C 2.88000 0.36100 2.76800 1.000 C25 C 3.97700 1.20300 2.60000 1.000 C26 C 4.56900 1.34900 1.38300 1.000 C27 C 4.07300 0.63600 0.27900 1.000 H28 H 5.49500 2.67100 -1.45900 1.000 H29 H 6.42300 1.71900 -0.27600 1.000 H30 H 6.46500 1.28000 -2.00000 1.000 H31 H 4.59400 0.16200 -3.01900 1.000 H32 H 2.65900 -1.32400 -2.72300 1.000 H33 H 1.26000 -2.57100 -1.30700 1.000 H34 H 1.33500 -2.35900 0.45800 1.000 H35 H 0.92600 0.72400 -1.33200 1.000 H36 H -5.55200 0.15700 -0.87400 1.000 H37 H -5.24100 0.74000 0.79000 1.000 H38 H -3.87800 1.46800 -1.63800 1.000 H39 H -4.47200 3.97300 0.96600 1.000 H40 H 0.53200 -3.75700 -0.35900 1.000 H41 H -0.91200 -4.78600 -0.51500 1.000 H42 H -0.67800 -3.40800 -1.61700 1.000 H43 H -1.24000 -2.44300 2.38800 1.000 H44 H -0.52400 -4.01500 1.95900 1.000 H45 H 0.36400 -2.51000 1.62000 1.000 H46 H 1.51700 -0.99000 1.86400 1.000 H47 H 2.42800 0.26300 3.74400 1.000 H48 H 4.36300 1.74800 3.44800 1.000 H49 H 5.41900 2.00600 1.26800 1.000 H50 H -2.21400 -3.19800 0.40500 1.000