# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9GS' 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 6.87400 0.57000 0.24800 1.000 C1 C 6.29900 1.24100 -0.81500 1.000 C2 C 5.02700 1.76700 -0.69400 1.000 C3 C 2.94200 2.19600 0.62200 1.000 C4 C 0.04800 -0.82000 -0.51500 1.000 C5 C -1.51300 -1.98600 -2.13000 1.000 C6 C -1.42400 -2.75400 0.18800 1.000 C7 C -2.33300 -0.46400 -0.30700 1.000 C8 C -3.77300 1.72100 0.48000 1.000 C9 C -1.65400 0.69300 0.05600 1.000 C10 C -6.66800 1.39600 -0.47900 1.000 O11 O 0.27700 2.61200 0.52700 1.000 C12 C 0.64200 1.48800 0.23800 1.000 N13 N 1.95700 1.19500 0.20400 1.000 C14 C 4.32900 1.62200 0.49000 1.000 C15 C 4.90300 0.95000 1.55300 1.000 C16 C 6.17600 0.42500 1.43200 1.000 S17 S 8.49300 -0.10600 0.09100 1.000 O18 O 9.11700 0.70200 -0.89700 1.000 O19 O 8.98700 -0.14600 1.42300 1.000 C20 C 8.22300 -1.78600 -0.53800 1.000 C21 C 9.57200 -2.48600 -0.71800 1.000 N22 N -0.26800 0.53600 -0.04800 1.000 C23 C -1.31000 -1.49700 -0.69200 1.000 C24 C -0.74900 -3.84300 -0.68600 1.000 C25 C -1.16700 -3.48800 -2.12900 1.000 C26 C -2.39600 1.80900 0.45900 1.000 C27 C -4.38300 0.52600 0.10300 1.000 N28 N -3.65100 -0.51300 -0.27300 1.000 C29 C -5.86100 0.41500 0.12300 1.000 C30 C -6.49100 -0.66400 0.74000 1.000 C31 C -5.67900 -1.74700 1.40300 1.000 C32 C -5.91900 -3.18800 0.95000 1.000 C33 C -6.41800 -2.72400 2.32000 1.000 N34 N -7.81300 -0.72400 0.73600 1.000 C35 C -8.53600 0.21600 0.16000 1.000 N36 N -7.98600 1.25800 -0.43100 1.000 O37 O -6.10800 2.46700 -1.09300 1.000 C38 C -7.00000 3.42000 -1.67400 1.000 H39 H 6.84500 1.35400 -1.74100 1.000 H40 H 4.57800 2.29200 -1.52500 1.000 H41 H 2.85200 3.08000 -0.01000 1.000 H42 H 2.76000 2.47300 1.66100 1.000 H43 H 0.57900 -0.77900 -1.46600 1.000 H44 H 0.64200 -1.35000 0.22900 1.000 H45 H -2.55000 -1.84000 -2.43200 1.000 H46 H -0.84700 -1.44900 -2.80500 1.000 H47 H -0.88400 -2.62000 1.12500 1.000 H48 H -2.46900 -3.00000 0.37500 1.000 H49 H -4.37100 2.56700 0.78700 1.000 H50 H 2.25200 0.32200 -0.09700 1.000 H51 H 4.35700 0.83700 2.47800 1.000 H52 H 6.62300 -0.10300 2.26100 1.000 H53 H 7.61500 -2.34700 0.17200 1.000 H54 H 7.70900 -1.73600 -1.49700 1.000 H55 H 10.18000 -1.92600 -1.42800 1.000 H56 H 10.08700 -2.53600 0.24100 1.000 H57 H 9.41000 -3.49600 -1.09600 1.000 H58 H 0.33500 -3.79800 -0.58100 1.000 H59 H -1.11900 -4.83200 -0.41400 1.000 H60 H -2.04100 -4.07200 -2.41900 1.000 H61 H -0.34300 -3.68200 -2.81500 1.000 H62 H -1.89900 2.72400 0.74700 1.000 H63 H -4.66100 -1.46900 1.67900 1.000 H64 H -6.66500 -3.35300 0.17200 1.000 H65 H -5.06000 -3.85900 0.92800 1.000 H66 H -5.88700 -3.08900 3.19900 1.000 H67 H -7.49200 -2.58300 2.44400 1.000 H68 H -9.61200 0.13200 0.17700 1.000 H69 H -7.60900 2.93200 -2.43500 1.000 H70 H -7.64700 3.83200 -0.90000 1.000 H71 H -6.42400 4.22500 -2.13100 1.000