# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CQS' 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 1.99100 1.20200 -0.13200 1.000 C1 C 3.30100 1.87300 -0.45400 1.000 C2 C 4.96400 1.41400 1.38700 1.000 C3 C 6.01600 -0.31700 0.61200 1.000 C4 C 5.04000 0.03800 -0.33500 1.000 C5 C 6.83400 -1.42600 0.33700 1.000 C6 C -4.58500 -0.45000 -1.17300 1.000 C7 C -3.38200 0.16500 -1.46800 1.000 C8 C -2.89000 1.15400 -0.63700 1.000 C9 C -3.59900 1.52600 0.49000 1.000 C10 C -4.80000 0.90900 0.78600 1.000 C11 C -5.29300 -0.07900 -0.04600 1.000 C12 C -1.58000 1.82600 -0.95900 1.000 C13 C -0.43500 1.05500 -0.29800 1.000 C14 C 5.71600 -1.71200 -1.66200 1.000 N15 N 0.83800 1.70800 -0.61100 1.000 N16 N 4.39700 1.13600 0.17900 1.000 N17 N 5.91400 0.56000 1.63900 1.000 N18 N 6.64700 -2.08400 -0.80200 1.000 N19 N 4.92700 -0.68100 -1.44700 1.000 N20 N 7.81300 -1.82300 1.23100 1.000 N21 N -6.49400 -2.17600 1.27100 1.000 O22 O 1.97500 0.20200 0.55500 1.000 O23 O -7.55200 0.05000 1.14500 1.000 O24 O -7.33100 -1.36400 -0.90400 1.000 S25 S -6.82900 -0.85800 0.32600 1.000 H26 H 3.44700 1.88500 -1.53400 1.000 H27 H 3.28700 2.89700 -0.07800 1.000 H28 H 4.67200 2.22500 2.03700 1.000 H29 H -4.97200 -1.21900 -1.82500 1.000 H30 H -2.82900 -0.12500 -2.34900 1.000 H31 H -3.21400 2.29700 1.14000 1.000 H32 H -5.35400 1.20000 1.66600 1.000 H33 H -1.43400 1.83700 -2.03900 1.000 H34 H -1.59400 2.84900 -0.58300 1.000 H35 H -0.58200 1.04300 0.78200 1.000 H36 H -0.42100 0.03200 -0.67400 1.000 H37 H 5.59800 -2.27500 -2.57600 1.000 H38 H 0.85100 2.50600 -1.16300 1.000 H39 H 8.37100 -2.59000 1.03000 1.000 H40 H 7.94000 -1.33500 2.06000 1.000 H41 H -5.57600 -2.38000 1.51100 1.000 H42 H -7.21500 -2.74300 1.58500 1.000