# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9S3' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy O0 O -4.78100 3.33700 -0.30600 1.000 C1 C -5.31300 2.40100 0.25300 1.000 C2 C -6.73300 2.52200 0.74100 1.000 N3 N -4.63400 1.25000 0.43200 1.000 C4 C -5.32600 0.04000 0.89400 1.000 C5 C -6.83800 0.21300 0.73100 1.000 C6 C -3.25800 1.18700 0.17400 1.000 C7 C -2.60800 -0.03500 0.08600 1.000 C8 C -3.34700 -1.33500 0.26900 1.000 N9 N -2.83900 -2.31900 -0.69000 1.000 C10 C -1.70400 -3.07300 -0.38100 1.000 C11 C -1.22100 -4.00700 -1.28900 1.000 C12 C -0.09800 -4.75000 -0.98100 1.000 C13 C 0.54400 -4.56500 0.22900 1.000 C14 C 0.06600 -3.63700 1.13500 1.000 C15 C -1.05300 -2.88600 0.83100 1.000 C16 C -4.84200 -1.13500 0.03400 1.000 C17 C -2.54800 2.37200 0.00700 1.000 C18 C -1.19500 2.33900 -0.25000 1.000 C19 C -0.53800 1.11300 -0.34300 1.000 C20 C -1.25100 -0.07100 -0.17500 1.000 C21 C 0.91900 1.07000 -0.62200 1.000 C22 C 1.63300 2.25400 -0.79100 1.000 C23 C 2.98800 2.20800 -1.05000 1.000 C24 C 3.63700 0.99000 -1.14200 1.000 C25 C 2.93200 -0.18900 -0.97400 1.000 C26 C 1.57800 -0.15400 -0.70900 1.000 C27 C 5.11600 0.94700 -1.42500 1.000 N28 N 5.85900 0.97000 -0.15800 1.000 C29 C 7.29400 1.16700 -0.39300 1.000 C30 C 8.01400 1.33100 0.94800 1.000 C31 C 7.78500 0.08000 1.80100 1.000 C32 C 6.28000 -0.13000 1.99000 1.000 C33 C 5.61000 -0.25100 0.62000 1.000 H34 H -7.07400 3.55000 0.61600 1.000 H35 H -7.37400 1.85400 0.16500 1.000 H36 H -6.77900 2.25000 1.79600 1.000 H37 H -5.08700 -0.14500 1.94100 1.000 H38 H -7.05400 0.59400 -0.26700 1.000 H39 H -7.33100 -0.75000 0.86700 1.000 H40 H -7.20600 0.91800 1.47700 1.000 H41 H -5.37900 -2.04000 0.31600 1.000 H42 H -5.02100 -0.91500 -1.01900 1.000 H43 H -3.06000 3.32000 0.07900 1.000 H44 H -3.18400 -1.70200 1.28200 1.000 H45 H -0.74200 -1.02100 -0.24700 1.000 H46 H -3.29000 -2.44800 -1.53900 1.000 H47 H -1.72300 -4.15200 -2.23400 1.000 H48 H -1.42300 -2.15800 1.53700 1.000 H49 H 0.27800 -5.47700 -1.68600 1.000 H50 H 1.42200 -5.14800 0.46800 1.000 H51 H 0.57000 -3.49500 2.07900 1.000 H52 H -0.64500 3.25900 -0.38000 1.000 H53 H 1.12800 3.20600 -0.72000 1.000 H54 H 1.03000 -1.07500 -0.57400 1.000 H55 H 3.54300 3.12600 -1.18200 1.000 H56 H 3.44300 -1.13700 -1.04700 1.000 H57 H 5.35500 0.03300 -1.97000 1.000 H58 H 5.39700 1.81100 -2.02600 1.000 H59 H 7.69900 0.30200 -0.91800 1.000 H60 H 7.44400 2.06100 -0.99700 1.000 H61 H 4.53700 -0.38700 0.75000 1.000 H62 H 6.02200 -1.11000 0.08900 1.000 H63 H 9.08200 1.46200 0.77400 1.000 H64 H 7.62000 2.20400 1.46800 1.000 H65 H 8.21300 -0.78700 1.29900 1.000 H66 H 8.25900 0.21100 2.77400 1.000 H67 H 6.10800 -1.04200 2.56100 1.000 H68 H 5.85800 0.72100 2.52700 1.000