# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'C5M' 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 -6.84900 -2.83300 0.30000 1.000 O1 O -6.92800 -1.64800 1.09500 1.000 C2 C -6.02000 -0.77300 0.58800 1.000 C3 C -5.24400 -1.13200 -0.50400 1.000 C4 C -4.32200 -0.24200 -1.01700 1.000 C5 C -3.47800 -0.63100 -2.20400 1.000 C6 C -4.17200 1.00800 -0.44400 1.000 C7 C -4.94400 1.36800 0.64500 1.000 C8 C -4.77800 2.73000 1.26700 1.000 C9 C -5.87200 0.48300 1.15800 1.000 C10 C -6.71300 0.87600 2.34500 1.000 S11 S -2.99500 2.14200 -1.10200 1.000 O12 O -3.45300 3.43400 -0.72700 1.000 O13 O -2.74600 1.71200 -2.43300 1.000 N14 N -1.57500 1.91300 -0.28200 1.000 C15 C -0.85600 0.64300 -0.40300 1.000 C16 C 0.57000 0.81100 0.12700 1.000 O17 O 0.52700 1.08900 1.52800 1.000 C18 C 1.35800 -0.47800 -0.11400 1.000 C19 C 0.74900 -1.61100 0.71500 1.000 C20 C 1.47900 -2.89600 0.42200 1.000 C21 C 2.51200 -3.30800 1.24300 1.000 C22 C 3.18100 -4.48700 0.97400 1.000 C23 C 2.81700 -5.25500 -0.11600 1.000 C24 C 1.78300 -4.84400 -0.93700 1.000 C25 C 1.11100 -3.66700 -0.66500 1.000 N26 N 2.75800 -0.27700 0.28500 1.000 C27 C 3.45200 0.28500 -0.88100 1.000 C28 C 4.92600 0.39000 -0.58600 1.000 C29 C 5.76800 -0.66500 -0.88300 1.000 C30 C 7.12000 -0.56900 -0.61200 1.000 C31 C 7.63100 0.58300 -0.04400 1.000 C32 C 6.78900 1.64000 0.25400 1.000 Cl33 Cl 7.43000 3.08700 0.96700 1.000 C34 C 5.43700 1.54400 -0.02200 1.000 H35 H -5.84100 -3.24300 0.36000 1.000 H36 H -7.56300 -3.56800 0.67100 1.000 H37 H -7.08200 -2.59100 -0.73700 1.000 H38 H -5.36000 -2.10800 -0.95200 1.000 H39 H -3.92700 -0.23500 -3.11500 1.000 H40 H -2.47400 -0.22300 -2.08600 1.000 H41 H -3.42300 -1.71800 -2.26900 1.000 H42 H -5.37300 3.45800 0.71500 1.000 H43 H -5.11400 2.69900 2.30400 1.000 H44 H -3.72800 3.02000 1.23400 1.000 H45 H -7.63100 1.35200 1.99900 1.000 H46 H -6.96200 -0.01300 2.92500 1.000 H47 H -6.15600 1.57300 2.97100 1.000 H48 H -1.21900 2.62000 0.27900 1.000 H49 H -1.37100 -0.12300 0.17700 1.000 H50 H -0.82200 0.34300 -1.45000 1.000 H51 H 1.05500 1.63600 -0.39300 1.000 H52 H 0.09100 0.33600 1.94900 1.000 H53 H 1.31500 -0.73800 -1.17100 1.000 H54 H 0.84100 -1.37500 1.77600 1.000 H55 H -0.30400 -1.72400 0.45800 1.000 H56 H 2.79600 -2.70800 2.09500 1.000 H57 H 3.98800 -4.80800 1.61500 1.000 H58 H 3.34000 -6.17600 -0.32700 1.000 H59 H 1.49900 -5.44400 -1.78900 1.000 H60 H 0.30400 -3.34600 -1.30700 1.000 H61 H 2.75700 0.43900 0.99500 1.000 H62 H 3.30000 -0.36600 -1.74300 1.000 H63 H 3.05300 1.27500 -1.09900 1.000 H64 H 5.36900 -1.56500 -1.32700 1.000 H65 H 7.77700 -1.39400 -0.84400 1.000 H66 H 8.68700 0.65800 0.16900 1.000 H67 H 4.77900 2.36900 0.21000 1.000