untitled.mol corina 07181204413D 1 1.00000 0.00000 CORINA 3.49 0024 01.06.2011 35 38 0 0 0 0 0 0 0 0999 V2000 -0.0099 1.3814 0.2076 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1807 2.0749 0.1925 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3896 1.4017 0.0702 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4286 0.0405 -0.0373 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2371 -0.6925 -0.0248 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0055 -0.0081 0.0992 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2329 -0.7995 0.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1202 -2.7260 -0.1184 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1991 -4.1836 -0.2356 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3883 -4.7787 -0.4547 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4675 -6.2440 -0.5725 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3104 -7.0213 -0.4635 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3919 -8.3929 -0.5807 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6150 -9.0003 -0.8056 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7648 -8.2377 -0.9146 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6995 -6.8651 -0.7997 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2671 -2.9443 0.0024 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7742 -3.4248 1.2024 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9105 -4.2094 1.2065 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5453 -4.5176 0.0122 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0390 -4.0377 -1.1874 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9032 -3.2532 -1.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1175 -2.1434 -0.0020 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2364 -2.0347 -0.1281 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3221 -0.2660 0.2135 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2657 -5.5682 -1.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6637 -5.2905 0.0169 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5539 -4.8198 2.7291 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.0381 -4.1194 2.9499 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7898 -6.2079 2.5372 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7125 -4.3088 3.7538 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7088 -10.7535 -0.9533 S 0 0 0 0 0 0 0 0 0 0 0 0 3.0435 -11.1131 -0.6237 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5737 -11.2747 -0.2757 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5072 -11.1220 -2.5551 N 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 8 9 1 0 9 10 2 0 11 16 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 10 11 1 0 17 22 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 7 23 1 0 8 23 1 0 17 23 1 0 8 24 2 0 5 24 1 0 7 25 2 0 20 27 1 0 26 27 1 0 19 28 1 0 28 29 1 0 28 30 2 0 28 31 2 0 14 32 1 0 32 33 2 0 32 34 2 0 32 35 1 0 M END $$$$