# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'H59' 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 -4.59900 1.79300 -0.57000 1.000 C1 C -3.85000 2.87200 -1.00000 1.000 C2 C -3.99600 4.10300 -0.38800 1.000 C3 C -4.89300 4.25500 0.65500 1.000 C4 C -5.64300 3.17300 1.08500 1.000 C5 C -5.49600 1.94400 0.47200 1.000 C6 C -1.34600 -1.14400 0.08800 1.000 C7 C -2.23200 -1.82700 0.85800 1.000 C8 C -3.60700 -1.32800 0.48000 1.000 N9 N -3.39700 -0.31500 -0.56200 1.000 C10 C -2.07400 -0.21700 -0.78100 1.000 C11 C 3.06300 -1.11100 -0.13900 1.000 C12 C 2.23500 -0.02700 0.12400 1.000 C13 C 2.76900 1.25900 0.09000 1.000 C14 C 4.10400 1.44900 -0.19800 1.000 C15 C 4.92700 0.36000 -0.45500 1.000 C16 C 4.39800 -0.92500 -0.42400 1.000 C17 C 0.12400 -1.30600 0.12500 1.000 N18 N 0.88800 -0.20000 0.42900 1.000 S19 S 2.37700 -2.73700 -0.11000 1.000 C20 C 0.62500 -2.51200 -0.13800 1.000 O21 O 2.72900 -3.35000 -1.34400 1.000 O22 O 2.69700 -3.29300 1.15800 1.000 N23 N 6.28200 0.55600 -0.74500 1.000 S24 S 7.18000 1.60700 0.16600 1.000 C25 C 7.21200 0.86100 1.81900 1.000 O26 O 8.47200 1.56600 -0.42400 1.000 O27 O 6.41600 2.80500 0.17500 1.000 O28 O -1.94100 -2.76600 1.77900 1.000 O29 O -1.55600 0.53400 -1.58600 1.000 C30 C -4.44300 0.45300 -1.24100 1.000 F31 F -5.03700 5.45800 1.25400 1.000 C32 C -3.17900 5.28000 -0.85700 1.000 C33 C -4.45300 -2.47900 -0.06800 1.000 C34 C -4.46000 -3.63100 0.93900 1.000 C35 C -5.30600 -4.78200 0.39200 1.000 C36 C -5.88600 -1.99400 -0.29800 1.000 C37 C -3.86000 -2.96300 -1.39200 1.000 H38 H -3.15000 2.75400 -1.81300 1.000 H39 H -6.34300 3.29100 1.89900 1.000 H40 H -6.08000 1.10000 0.80800 1.000 H41 H -4.09600 -0.88100 1.34600 1.000 H42 H 2.13500 2.11000 0.28900 1.000 H43 H 4.51200 2.44900 -0.22300 1.000 H44 H 5.03300 -1.77600 -0.62200 1.000 H45 H 0.44600 0.52500 0.89800 1.000 H46 H -0.03000 -3.34000 -0.36300 1.000 H47 H 6.69500 0.07600 -1.48000 1.000 H48 H 7.67200 -0.12600 1.76400 1.000 H49 H 7.78900 1.49400 2.49300 1.000 H50 H 6.19300 0.76500 2.19400 1.000 H51 H -1.00500 -2.92400 1.96400 1.000 H52 H -5.38600 -0.09100 -1.18800 1.000 H53 H -4.16600 0.60000 -2.28500 1.000 H54 H -3.72000 5.80900 -1.64100 1.000 H55 H -3.00000 5.95400 -0.02000 1.000 H56 H -2.22500 4.92600 -1.24900 1.000 H57 H -3.43900 -3.97600 1.10300 1.000 H58 H -4.88300 -3.28600 1.88300 1.000 H59 H -6.32700 -4.43700 0.22800 1.000 H60 H -4.88400 -5.12700 -0.55200 1.000 H61 H -5.31100 -5.60300 1.10900 1.000 H62 H -5.95400 -1.50900 -1.27100 1.000 H63 H -6.56700 -2.84500 -0.26800 1.000 H64 H -6.15900 -1.28300 0.48200 1.000 H65 H -2.83900 -3.30900 -1.22800 1.000 H66 H -4.46300 -3.78300 -1.78200 1.000 H67 H -3.85500 -2.14200 -2.11000 1.000