D00WVI Wcorina 11010620313D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 41 43 0 0 0 999 V2000 -0.0187 1.5258 0.0104 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3951 2.0474 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3723 -0.5112 0.0124 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6070 -1.8766 0.0073 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0646 2.2777 1.1861 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3047 2.7299 1.1846 N 0 3 0 0 0 0 0 0 0 0 0 0 3.9508 2.9784 0.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3442 2.7715 -1.1635 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0423 2.2968 -1.2011 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0836 -4.5318 -0.0134 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0766 -3.6534 0.0064 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8492 -2.3468 0.0167 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5403 -2.7791 -0.0135 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8212 -4.1320 -0.0236 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2972 -5.1418 -0.0456 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9586 2.9544 2.4204 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.4753 -4.1437 0.0168 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7367 -5.5128 0.0058 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0423 -5.9645 0.0214 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0917 -5.0588 0.0478 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8383 -3.6988 0.0588 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5358 -3.2359 0.0434 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2969 -7.2912 0.0103 F 0 0 0 0 0 0 0 0 0 0 0 0 -5.2895 -1.9076 0.0546 F 0 0 0 0 0 0 0 0 0 0 0 0 -8.8760 -5.6847 0.0683 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.5289 1.8773 0.9072 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5459 1.8868 -0.8726 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5123 -0.3556 -0.8948 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5293 -0.3651 0.8851 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1181 0.1091 0.0229 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5675 2.0859 2.1255 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9648 3.3481 0.0988 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8778 2.9775 -2.0796 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5434 2.1258 -2.1436 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4807 -2.4272 -0.0219 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5780 -5.3952 0.9767 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0351 -6.0408 -0.5646 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1577 -4.7196 -0.5647 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9200 -6.2192 -0.0151 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6594 -2.9976 0.0791 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 10 1 0 0 0 0 2 6 2 0 0 0 0 3 4 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 5 13 2 0 0 0 0 5 14 1 0 0 0 0 6 7 1 0 0 0 0 6 32 1 0 0 0 0 7 8 2 0 0 0 0 7 17 1 0 0 0 0 8 9 1 0 0 0 0 8 33 1 0 0 0 0 9 10 2 0 0 0 0 9 34 1 0 0 0 0 10 35 1 0 0 0 0 11 15 1 0 0 0 0 11 12 2 0 0 0 0 12 18 1 0 0 0 0 12 13 1 0 0 0 0 14 15 2 0 0 0 0 14 36 1 0 0 0 0 15 16 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 18 19 2 0 0 0 0 18 23 1 0 0 0 0 19 20 1 0 0 0 0 19 40 1 0 0 0 0 20 21 2 0 0 0 0 20 24 1 0 0 0 0 21 22 1 0 0 0 0 21 26 1 0 0 0 0 22 23 2 0 0 0 0 22 41 1 0 0 0 0 23 25 1 0 0 0 0 M CHG 2 7 1 17 -1 M END $$$$