s1104.mol corina 12080917213D 1 1.00000 0.00000 CORINA 3.46 0026 05.08.2008 22 23 0 0 0 0 0 0 0 0999 V2000 -0.3040 1.7203 -0.3129 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0995 0.3954 -0.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1969 -0.3764 0.1193 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4166 0.3683 0.4414 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1434 -0.0172 -0.6381 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6273 -1.2516 -0.6978 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9845 -2.4638 -0.4049 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3358 -2.6733 0.0257 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2810 -1.7696 0.2486 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7249 -4.0850 0.2534 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3058 -1.3865 -1.2164 S 0 0 0 0 0 0 0 0 0 0 0 0 2.1626 2.5104 0.6222 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8728 2.6795 -0.6421 S 0 3 0 0 0 0 0 0 0 0 0 0 1.4495 2.3258 -2.0055 O 0 5 0 0 0 0 0 0 0 0 0 0 0.2700 4.3903 -0.6659 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5843 -3.3537 -0.5269 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0500 -4.4076 0.5446 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4064 -5.7239 0.7552 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4521 -6.7226 0.6784 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1359 -6.4087 0.3899 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2314 -5.0966 0.1717 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6364 0.3363 -1.6622 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 2 5 2 0 0 0 0 5 6 1 0 0 0 0 7 6 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 3 9 1 0 0 0 0 8 10 1 0 0 0 0 6 11 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 1 13 2 0 0 0 0 7 16 1 0 0 0 0 10 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 10 21 1 0 0 0 0 11 22 1 0 0 0 0 M CHG 2 13 1 14 -1 M END $$$$