corina 12080917183D 1 1.00000 0.00000 CORINA 3.46 0026 05.08.2008 16 16 0 0 0 0 0 0 0 0999 V2000 -0.0167 1.3782 0.0096 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1709 2.0855 0.0021 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3773 1.4107 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3960 0.0285 -0.0201 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2084 -0.6789 -0.0117 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2289 -2.1857 -0.0199 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2506 -2.7033 1.4197 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2714 -4.2332 1.4114 C 0 0 3 0 0 0 0 0 0 0 0 0 1.4188 -4.7491 2.8442 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.4074 -4.9071 0.6416 Br 0 0 0 0 0 0 0 0 0 0 0 0 3.0976 -4.0751 3.6139 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.2389 -4.2596 3.6864 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4392 -6.2559 2.8360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5616 -6.9318 3.9892 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3455 -6.8557 1.7913 O 0 0 0 0 0 0 0 0 0 0 0 0 7 8 1 0 0 0 0 2 3 1 0 0 0 0 8 9 1 0 0 0 0 3 4 2 0 0 0 0 9 10 1 0 0 0 0 10 14 1 0 0 0 0 4 5 1 0 0 0 0 9 11 1 0 0 0 0 5 6 2 0 0 0 0 10 12 1 0 0 0 0 6 1 1 0 0 0 0 10 13 1 0 0 0 0 5 7 1 0 0 0 0 1 2 2 0 0 0 0 14 15 1 0 0 0 0 14 16 2 0 0 0 0 G 14 10 CO2H M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 14 15 16 M SBL 1 1 6 M SMT 1 CO2H M SBV 1 6 -0.7200 -0.4100 M END $$$$