corina 12080917083D 1 1.00000 0.00000 CORINA 3.46 0026 05.08.2008 51 56 0 0 0 0 0 0 0 0999 V2000 0.7919 0.5478 0.5618 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1611 1.2132 0.4393 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9020 1.1116 1.7697 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0900 -0.3513 2.1869 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7742 -1.0983 2.1510 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9647 -0.9514 0.8674 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9196 -2.5801 2.4909 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5214 -3.1023 2.8612 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4458 -2.9406 1.6951 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4307 -1.5354 1.1120 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.8781 -3.2753 2.1474 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.8766 -2.9282 1.0855 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6017 -2.1343 0.0807 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2593 -1.5123 -0.1733 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9767 -4.7260 2.5957 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4293 -5.1808 2.7565 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1950 -4.9960 1.4533 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.2745 -3.5159 1.0909 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.5820 -5.6301 1.5301 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5198 -4.8204 2.4214 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6387 -3.4009 1.8627 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.2512 -2.7401 1.9514 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1846 -1.0051 1.3516 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5888 -0.3195 3.6526 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3796 -1.2985 1.4446 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6331 -2.5986 2.7002 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6400 -1.5995 -0.3342 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0706 -3.9659 0.6116 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1718 -2.3950 3.3712 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6484 -3.4638 0.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9729 2.5995 0.1176 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2150 5.7162 1.5318 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2934 7.0694 1.8321 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1534 7.7663 2.2327 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9423 7.1112 2.3309 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8622 5.7464 2.0284 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0105 5.0542 1.6276 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2604 3.0472 1.9393 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5762 5.0428 2.1318 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5012 3.7260 1.8395 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2634 3.6506 2.2883 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1855 1.7320 1.6473 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6910 5.5785 2.4417 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4836 7.7164 1.7359 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3863 3.1903 1.5297 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8841 -2.7155 3.3286 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4495 -5.7112 0.3396 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0478 -5.0890 -0.6151 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2372 -7.0344 0.4161 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2352 9.0916 2.5267 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0286 9.7422 2.9303 C 0 0 0 0 0 0 0 0 0 0 0 0 5 6 1 0 0 0 0 4 24 1 0 0 0 0 1 6 1 0 0 0 0 22 25 1 0 0 0 0 21 26 1 0 0 0 0 9 11 1 0 0 0 0 6 27 1 0 0 0 0 11 12 1 0 0 0 0 9 28 1 0 0 0 0 12 13 2 0 0 0 0 11 29 1 0 0 0 0 13 14 1 0 0 0 0 10 14 1 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 5 7 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 32 33 2 0 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 32 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 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 17 47 1 0 0 0 0 18 30 1 0 0 0 0 2 31 1 0 0 0 0 3 42 1 0 0 0 0 38 41 2 0 0 0 0 39 40 2 0 0 0 0 40 45 1 0 0 0 0 39 43 1 0 0 0 0 36 39 1 0 0 0 0 19 20 1 0 0 0 0 22 46 1 0 0 0 0 38 42 1 0 0 0 0 33 44 1 0 0 0 0 34 50 1 0 0 0 0 38 40 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 47 48 2 0 0 0 0 47 49 1 0 0 0 0 4 5 1 0 0 0 0 4 23 1 0 0 0 0 50 51 1 0 0 0 0 G 47 17 COOH G 50 34 OCH3 M STY 2 1 SUP 2 SUP M SLB 2 1 1 2 2 M SAL 1 3 47 48 49 M SBL 1 1 34 M SMT 1 COOH M SBV 1 34 -0.7100 0.4200 M SAL 2 2 50 51 M SBL 2 1 47 M SMT 2 OCH3 M SBV 2 47 0.0000 0.5800 M END $$$$