# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9S1' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy N0 N -1.14500 -1.33800 0.54500 1.000 C1 C -4.51100 0.05400 0.58400 1.000 C2 C -4.88400 0.79600 -0.48900 1.000 C3 C -2.48900 -0.51100 2.08200 1.000 C4 C 5.48200 -0.15900 -0.05400 1.000 C5 C 1.25700 -1.59500 0.43900 1.000 C6 C -8.02100 0.62500 1.23200 1.000 C7 C -8.88000 1.32900 0.41000 1.000 C8 C 3.74700 -1.81500 0.37700 1.000 C9 C -0.14400 -2.80800 -1.09200 1.000 C10 C 2.23700 -3.04700 -1.19300 1.000 C11 C -3.14900 -0.46200 0.83500 1.000 C12 C -2.28200 -0.98600 -0.10900 1.000 N13 N -1.30600 -1.03100 1.90000 1.000 N14 N -5.59700 -0.13900 1.40300 1.000 C15 C -6.26500 1.08800 -0.35900 1.000 N16 N -7.12700 1.77100 -1.11400 1.000 C17 C -0.00800 -1.91500 -0.03800 1.000 C18 C -6.69100 0.49400 0.84400 1.000 C19 C -8.39400 1.90100 -0.76500 1.000 N20 N 5.95700 0.91100 -0.72200 1.000 N21 N 4.26300 -0.65100 -0.34900 1.000 O22 O 6.15500 -0.68100 0.81400 1.000 O23 O -2.52400 -1.12200 -1.43600 1.000 N24 N -9.26200 2.60900 -1.59100 1.000 C25 C 2.37500 -2.16200 -0.14000 1.000 C26 C 7.18000 1.48200 -0.35200 1.000 C27 C 0.97900 -3.37600 -1.66300 1.000 C28 C 7.36000 2.85600 -0.43600 1.000 C29 C 8.21300 0.67500 0.10700 1.000 C30 C 8.56800 3.41600 -0.06900 1.000 C31 C 9.41900 1.24200 0.47200 1.000 C32 C 9.59800 2.61000 0.38100 1.000 H33 H -4.24300 1.11000 -1.30000 1.000 H34 H -2.89500 -0.17600 3.02500 1.000 H35 H 1.36500 -0.90000 1.25900 1.000 H36 H -8.37600 0.17400 2.14600 1.000 H37 H -9.92200 1.43400 0.67500 1.000 H38 H 4.41700 -2.66200 0.22700 1.000 H39 H 3.68800 -1.58300 1.44000 1.000 H40 H -1.12600 -3.05900 -1.46400 1.000 H41 H 3.11200 -3.49200 -1.64200 1.000 H42 H -5.59700 -0.63600 2.23600 1.000 H43 H 5.45000 1.28600 -1.46000 1.000 H44 H 3.72700 -0.23500 -1.04200 1.000 H45 H -10.19600 2.70000 -1.34800 1.000 H46 H -8.93200 3.01100 -2.41000 1.000 H47 H 0.87400 -4.06800 -2.48600 1.000 H48 H 6.55700 3.48600 -0.78800 1.000 H49 H 8.07400 -0.39300 0.17800 1.000 H50 H 8.70900 4.48500 -0.13400 1.000 H51 H 10.22300 0.61500 0.82800 1.000 H52 H 10.54200 3.05000 0.66600 1.000 H53 H -2.92500 -1.96800 -1.67800 1.000