# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '28G' 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 -10.24000 0.99200 0.34900 1.000 C1 C -9.29500 0.87300 -0.55000 1.000 C2 C -7.88000 1.26800 -0.21300 1.000 C3 C -3.47600 -0.64700 -0.25000 1.000 C4 C -1.31800 -1.30300 -0.15900 1.000 C5 C -0.18700 -2.13800 -0.28200 1.000 C6 C 1.05700 -1.63700 0.07200 1.000 C7 C 1.15800 -0.31800 0.54100 1.000 C8 C -1.12700 -0.00100 0.31600 1.000 O9 O 2.37100 0.18000 0.88900 1.000 C10 C 3.84800 1.91300 1.70100 1.000 C11 C 4.23300 2.96700 -0.44600 1.000 C12 C 5.06300 2.88500 -1.73000 1.000 C13 C 6.90200 1.96200 -0.50400 1.000 C14 C 2.28700 -3.77300 0.50200 1.000 C15 C 3.40400 -2.01400 -0.69600 1.000 C16 C 3.44100 -4.52500 0.36800 1.000 C17 C 4.52900 -3.98300 -0.29000 1.000 C18 C 2.26700 -2.48600 -0.04200 1.000 C19 C -5.66100 0.26400 -0.24500 1.000 C20 C 6.09000 2.03400 0.79200 1.000 C21 C 2.40700 1.53000 1.35900 1.000 N22 N 4.48400 -2.76300 -0.78900 1.000 N23 N -2.60700 -1.57700 -0.44200 1.000 N24 N 0.08600 0.43900 0.64400 1.000 N25 N 4.66000 1.90500 0.47700 1.000 N26 N -4.83500 -0.77400 -0.48600 1.000 N27 N -6.98300 0.14000 -0.47500 1.000 O28 O -5.21300 1.31100 0.18100 1.000 O29 O 6.45100 2.98100 -1.40000 1.000 S30 S -2.69500 0.80300 0.36400 1.000 H31 H -11.25400 0.71000 0.10700 1.000 H32 H -10.00500 1.36900 1.33300 1.000 H33 H -9.52900 0.49200 -1.53300 1.000 H34 H -7.58400 2.11900 -0.82700 1.000 H35 H -7.82100 1.54200 0.84000 1.000 H36 H -0.28900 -3.15100 -0.64400 1.000 H37 H 3.86400 2.90900 2.14100 1.000 H38 H 4.25600 1.19400 2.41100 1.000 H39 H 4.38300 3.93900 0.02400 1.000 H40 H 3.17700 2.83800 -0.68600 1.000 H41 H 4.87200 1.93500 -2.22700 1.000 H42 H 4.78900 3.70600 -2.39300 1.000 H43 H 7.95800 2.11400 -0.28100 1.000 H44 H 6.76500 0.98400 -0.96600 1.000 H45 H 1.42200 -4.17100 1.01200 1.000 H46 H 3.40500 -1.01900 -1.11700 1.000 H47 H 3.49000 -5.52500 0.77300 1.000 H48 H 5.43100 -4.56800 -0.39600 1.000 H49 H 6.39100 1.22300 1.45600 1.000 H50 H 6.27000 2.99100 1.28200 1.000 H51 H 2.02800 2.19500 0.58200 1.000 H52 H 1.78500 1.62100 2.24900 1.000 H53 H -5.19200 -1.60900 -0.82600 1.000 H54 H -7.34000 -0.69500 -0.81500 1.000