MMs02231996 MOE2007 2D CORINA 3.40 0006 02.08.2006 49 50 0 0 1 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3570 0.6391 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3178 1.2391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5890 -0.2165 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5498 -0.8165 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9461 0.4226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0711 1.9174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1781 -0.4330 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5351 0.2061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7671 -0.6496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1241 -0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4388 -0.7326 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5319 0.2946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8928 1.6516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4047 1.4631 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 13.0055 0.0140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0986 1.0412 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.4133 0.3190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1327 -1.1545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6446 -1.3430 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 16.7703 0.9581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8953 2.4529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0023 0.1025 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.3593 0.7416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5914 -0.1140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9484 0.5251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1804 -0.3306 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.4820 2.1339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5113 1.0856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0856 -0.5113 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5113 -1.0856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0781 -1.6289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8430 1.1864 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3804 1.0579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9218 -1.5013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4592 -1.6299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4706 2.7034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9545 -2.0290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9023 -1.0933 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.6673 1.7220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.2046 1.5934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7461 -0.9658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.2834 -1.0944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.2563 1.5054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.7937 1.3769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3784 -2.2226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4964 2.8184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4640 -1.7113 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4496 -2.3958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 28 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 48 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 32 1 0 0 0 0 9 10 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 11 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 16 17 2 0 0 0 0 16 20 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 39 1 0 0 0 0 24 25 1 0 0 0 0 24 40 1 0 0 0 0 24 41 1 0 0 0 0 25 26 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 26 27 1 0 0 0 0 26 44 1 0 0 0 0 26 45 1 0 0 0 0 28 47 1 0 0 0 0 46 48 1 0 0 0 0 48 49 1 0 0 0 0 M END