s1132.mol corina 12080917223D 1 1.00000 0.00000 CORINA 3.46 0026 05.08.2008 24 26 0 0 0 0 0 0 0 0999 V2000 -0.1743 1.0579 0.2968 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1654 -0.1749 -0.3422 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0139 -0.6744 -0.8596 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1847 0.0514 -0.7415 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1792 1.2794 -0.1052 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0034 1.7848 0.4134 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4061 0.0263 2.7185 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4712 -0.1859 3.7144 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2095 -1.4699 4.1544 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8830 -2.5417 3.5989 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8186 -2.3294 2.6037 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0793 -1.0455 2.1626 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2403 2.1978 0.0377 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3684 1.5693 0.8170 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6959 1.4267 2.2431 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5002 1.7685 2.2923 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.5025 2.7014 0.7088 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0357 2.3644 -1.1462 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4181 -0.9530 -0.4683 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.6021 -3.9167 4.0695 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.3737 -2.1654 -0.5769 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4935 -0.3811 -0.4634 O 0 5 0 0 0 0 0 0 0 0 0 0 0.2225 -4.1038 4.9461 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1956 -4.8610 3.5800 O 0 5 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 1 6 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 7 12 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 13 17 1 0 0 0 0 13 18 2 0 0 0 0 1 14 1 0 0 0 0 7 15 1 0 0 0 0 2 19 1 0 0 0 0 10 20 1 0 0 0 0 19 21 2 0 0 0 0 19 22 1 0 0 0 0 20 23 2 0 0 0 0 20 24 1 0 0 0 0 M CHG 4 19 1 20 1 22 -1 24 -1 M END $$$$