corina 12080917083D 1 1.00000 0.00000 CORINA 3.46 0026 05.08.2008 40 45 0 0 0 0 0 0 0 0999 V2000 0.7623 0.5154 0.5406 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1544 1.1342 0.4292 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8872 0.9826 1.7654 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0377 -0.4973 2.1284 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6969 -1.2003 2.0823 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8854 -0.9956 0.8091 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7974 -2.6944 2.3844 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3847 -3.1831 2.7450 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5780 -2.9671 1.5823 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5259 -1.5433 1.0486 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.0180 -3.2893 2.0196 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.0109 -2.8640 0.9816 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7213 -2.0330 0.0126 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3622 -1.4425 -0.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1519 -4.7572 2.3956 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6139 -5.1906 2.5302 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3754 -4.9166 1.2410 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.4236 -3.4166 0.9623 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.7779 -5.5215 1.2821 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6952 -4.7432 2.2218 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7800 -3.2906 1.7521 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.3773 -2.6713 1.8739 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5289 -1.6328 -0.4160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2192 -3.9629 0.4669 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9240 2.3165 4.2776 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6029 1.5669 4.1015 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5574 2.1901 5.0385 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1448 1.6782 2.7601 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8008 -3.2956 -0.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7504 -2.5149 2.6414 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4691 -1.1984 1.4541 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0071 -2.7372 3.2489 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0881 -1.1526 1.2252 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7623 0.1923 4.4461 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 -0.5704 3.5727 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0200 2.5330 0.1401 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2873 -2.4638 3.2864 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6473 -5.5850 0.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2269 -4.9190 -0.8283 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4708 -6.9156 0.0868 O 0 0 0 0 0 0 0 0 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 6 10 1 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 18 22 1 0 0 0 0 4 5 1 0 0 0 0 6 23 1 0 0 0 0 5 6 1 0 0 0 0 9 24 1 0 0 0 0 1 6 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 12 13 2 0 0 0 0 18 29 1 0 0 0 0 17 38 1 0 0 0 0 13 14 1 0 0 0 0 21 30 1 0 0 0 0 10 14 1 0 0 0 0 22 31 1 0 0 0 0 1 2 1 0 0 0 0 22 32 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 33 1 0 0 0 0 26 34 1 0 0 0 0 5 7 1 0 0 0 0 11 15 1 0 0 0 0 4 35 1 0 0 0 0 34 35 1 0 0 0 0 3 28 1 0 0 0 0 2 36 1 0 0 0 0 15 16 1 0 0 0 0 11 37 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 12 18 1 0 0 0 0 38 39 2 0 0 0 0 38 40 1 0 0 0 0 G 38 17 COOH M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 38 39 40 M SBL 1 1 22 M SMT 1 COOH M SBV 1 22 -0.7000 0.4200 M END $$$$