# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'RGS' 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 -0.69100 1.23600 -1.05600 1.000 O1 O -1.31300 2.07100 -0.41100 1.000 O2 O 0.66600 1.20400 -1.09800 1.000 C3 C -1.31900 0.15100 -1.91300 1.000 N4 N -2.57000 -0.23200 -1.25400 1.000 C5 C -1.61900 0.66300 -3.32500 1.000 C6 C -0.37200 1.16000 -4.05300 1.000 N7 N 0.60100 0.11200 -4.20600 1.000 C8 C 0.63300 -0.73300 -5.31000 1.000 O9 O -0.15300 -0.67500 -6.25500 1.000 C10 C 1.77900 -1.73900 -5.24200 1.000 N11 N 1.84400 -2.46000 -6.48800 1.000 C12 C 3.04600 -2.87800 -7.04000 1.000 O13 O 4.15500 -2.68600 -6.54600 1.000 C14 C 2.85000 -3.59400 -8.35800 1.000 C15 C 3.40400 -4.99100 -8.40600 1.000 O16 O 3.91400 -5.56000 -7.44900 1.000 O17 O 3.29100 -5.55300 -9.63600 1.000 C18 C 1.69400 -2.67900 -4.03700 1.000 S19 S 0.16400 -3.66800 -3.98400 1.000 S20 S 0.44500 -4.75700 -2.26500 1.000 C21 C -0.29600 -3.67700 -1.01800 1.000 C22 C -0.23300 -4.24200 0.40300 1.000 N23 N -1.01500 -5.44500 0.54400 1.000 C24 C -2.36100 -5.41900 0.87900 1.000 O25 O -3.01600 -4.40100 1.08700 1.000 C26 C -2.94900 -6.80800 0.98500 1.000 C27 C -4.42400 -6.89300 0.70200 1.000 O28 O -5.10800 -5.94400 0.34000 1.000 O29 O -4.92100 -8.13800 0.90500 1.000 C30 C 1.19000 -4.51600 0.88600 1.000 O31 O 1.58200 -5.63400 1.21500 1.000 N32 N 1.96100 -3.36300 0.92800 1.000 C33 C 3.33400 -3.36000 1.37400 1.000 C34 C 4.30000 -3.60000 0.21600 1.000 C35 C 5.76600 -3.62000 0.66000 1.000 N36 N 6.13300 -2.30700 1.19800 1.000 C37 C 6.69300 -3.88300 -0.51300 1.000 O38 O 7.53100 -3.09700 -0.93800 1.000 O39 O 6.47800 -5.10100 -1.07600 1.000 H40 H 1.12100 1.89800 -0.57500 1.000 H41 H -0.67100 -0.73100 -1.94200 1.000 H42 H -2.53100 -0.48300 -0.29200 1.000 H43 H -3.35900 -0.42200 -1.83000 1.000 H44 H -2.07200 -0.14300 -3.91900 1.000 H45 H -2.36100 1.47400 -3.29000 1.000 H46 H -0.61400 1.51900 -5.05700 1.000 H47 H 0.10900 1.97200 -3.49800 1.000 H48 H 1.26800 -0.03800 -3.45000 1.000 H49 H 2.71600 -1.17100 -5.18000 1.000 H50 H 0.97900 -2.67100 -6.97900 1.000 H51 H 1.78600 -3.64000 -8.61500 1.000 H52 H 3.34600 -3.00200 -9.13600 1.000 H53 H 3.65100 -6.46300 -9.71000 1.000 H54 H 2.53600 -3.37800 -4.03400 1.000 H55 H 1.74200 -2.10000 -3.10800 1.000 H56 H -1.33500 -3.49900 -1.31500 1.000 H57 H 0.22900 -2.71700 -1.06100 1.000 H58 H -0.68200 -3.51600 1.09200 1.000 H59 H -0.56400 -6.34400 0.39200 1.000 H60 H -2.43100 -7.49700 0.30700 1.000 H61 H -2.77500 -7.16700 2.00600 1.000 H62 H -5.88400 -8.23200 0.74000 1.000 H63 H 1.56800 -2.48700 0.59600 1.000 H64 H 3.42400 -4.14200 2.13400 1.000 H65 H 3.52000 -2.39100 1.84700 1.000 H66 H 4.15300 -2.80700 -0.53000 1.000 H67 H 4.03700 -4.54400 -0.28100 1.000 H68 H 5.93000 -4.36300 1.44800 1.000 H69 H 5.61000 -1.51800 0.89300 1.000 H70 H 7.00200 -2.22800 1.67600 1.000 H71 H 7.04000 -5.31200 -1.85100 1.000