s1052.mol corina 12080917213D 1 1.00000 0.00000 CORINA 3.46 0026 05.08.2008 18 19 0 0 0 0 0 0 0 0999 V2000 -0.0726 1.5024 -0.3983 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0233 0.0347 -0.3204 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1589 -0.5539 -0.7491 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1803 0.1654 -1.2351 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1616 1.5020 -1.3343 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0905 2.2229 -0.9437 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0853 3.4360 -1.0395 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8969 -0.6291 0.1191 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1759 -0.4255 -1.6049 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2140 2.1781 0.0197 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0840 4.5287 0.8676 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.1994 3.5771 0.1332 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1878 4.4264 -0.3136 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9137 5.7465 -0.0727 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7472 5.9838 0.5476 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1116 1.6264 0.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9361 1.9613 -1.6951 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2382 -1.5196 -0.7044 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 2 8 2 0 0 0 0 4 9 2 0 0 0 0 1 10 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 11 15 1 0 0 0 0 10 12 1 0 0 0 0 10 16 1 0 0 0 0 5 17 1 0 0 0 0 3 18 1 0 0 0 0 M END $$$$