# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9CS' 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 2.46600 -1.02900 0.09300 1.000 C1 C 3.35900 -1.95800 0.91900 1.000 C2 C 4.67100 -1.23600 1.24400 1.000 C3 C 5.33800 -0.79900 -0.06400 1.000 C4 C 4.36800 0.08400 -0.85300 1.000 C5 C 5.00400 0.47500 -2.18800 1.000 C6 C -1.18500 2.73500 0.63500 1.000 C7 C -1.37800 1.27500 0.22300 1.000 C8 C -0.25500 0.42400 0.82000 1.000 C9 C 1.09500 0.92600 0.30400 1.000 C10 C 1.28700 2.38600 0.71700 1.000 C11 C 0.16500 3.23700 0.11900 1.000 C12 C -3.72000 1.00300 -0.20900 1.000 C13 C -5.03400 0.59200 0.45900 1.000 C14 C -4.98000 -0.90000 0.80000 1.000 C15 C -4.70600 -1.69500 -0.48000 1.000 C16 C -3.40400 -1.19600 -1.11200 1.000 C17 C -3.15400 -1.94400 -2.42300 1.000 N18 N 4.12500 1.41900 -2.89200 1.000 N19 N 2.58400 2.86800 0.22200 1.000 N20 N -2.26300 3.55200 0.06200 1.000 N21 N -6.26600 -1.32000 1.37300 1.000 O22 O 3.15800 -0.63600 -1.09400 1.000 O23 O 5.54100 -2.12100 1.95200 1.000 O24 O 6.52600 -0.06200 0.22800 1.000 O25 O 2.14300 0.13100 0.86200 1.000 O26 O -0.43500 -0.94100 0.43500 1.000 O27 O -2.63900 0.80600 0.70500 1.000 O28 O -3.51000 0.20500 -1.37500 1.000 O29 O -5.21800 1.35000 1.65700 1.000 O30 O -4.58100 -3.08300 -0.16300 1.000 O31 O -1.89700 -1.53900 -2.97000 1.000 N32 N 2.67400 -2.31500 2.16800 1.000 H33 H 1.54900 -1.55300 -0.17700 1.000 H34 H 3.57300 -2.86100 0.34800 1.000 H35 H 4.46300 -0.35900 1.85700 1.000 H36 H 5.59100 -1.68000 -0.65500 1.000 H37 H 4.14700 0.98400 -0.27800 1.000 H38 H 5.97000 0.94500 -2.00700 1.000 H39 H 5.14300 -0.41700 -2.79900 1.000 H40 H -1.21000 2.81200 1.72200 1.000 H41 H -1.35300 1.19800 -0.86400 1.000 H42 H -0.28000 0.50100 1.90700 1.000 H43 H 1.12000 0.84900 -0.78300 1.000 H44 H 1.26200 2.46300 1.80400 1.000 H45 H 0.19000 3.16100 -0.96700 1.000 H46 H 0.30200 4.27800 0.41300 1.000 H47 H -3.76900 2.05500 -0.49200 1.000 H48 H -5.86400 0.78200 -0.22200 1.000 H49 H -4.18300 -1.08100 1.52100 1.000 H50 H -5.52900 -1.55300 -1.18100 1.000 H51 H -2.57500 -1.37500 -0.42700 1.000 H52 H -3.13800 -3.01700 -2.23200 1.000 H53 H -3.95000 -1.71300 -3.13100 1.000 H54 H 4.52300 1.69200 -3.77800 1.000 H55 H 3.20200 1.03000 -3.01500 1.000 H56 H 2.68700 3.85900 0.38400 1.000 H57 H 3.34400 2.35200 0.63800 1.000 H58 H -2.15800 4.52200 0.32000 1.000 H59 H -2.30200 3.44700 -0.94100 1.000 H60 H -6.47300 -0.80400 2.21500 1.000 H61 H -7.01100 -1.22500 0.69900 1.000 H62 H 6.39200 -1.72800 2.19000 1.000 H63 H 7.18500 -0.56000 0.73100 1.000 H64 H -1.22200 -1.35500 0.81300 1.000 H65 H -5.25600 2.30600 1.51700 1.000 H66 H -4.40600 -3.64700 -0.92800 1.000 H67 H -1.67300 -1.97400 -3.80400 1.000 H68 H 1.80300 -2.78800 1.98000 1.000 H69 H 3.26900 -2.87500 2.76000 1.000