MMs02883527 MOE2007 2D CORINA 3.40 0006 02.08.2006 30 31 0 0 0 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 1.0236 -1.0964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4850 -0.7582 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6176 -1.7416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4878 -3.2359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9029 -0.9683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2840 -1.5536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4815 -0.6501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2978 0.8386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4952 1.7420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8763 1.1567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0600 -0.3320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8626 -1.2354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4411 -0.9173 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 12.6385 -0.0139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6248 -2.4060 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 8.3115 3.2307 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 4.5647 0.4931 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.0703 0.6229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2970 1.9082 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.8771 0.8189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8189 0.8771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8771 -0.8189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0176 -1.7506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4932 -2.2008 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4310 -2.7445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1929 1.3068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8343 1.8794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0462 -2.7241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0883 -3.4469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 2 3 1 0 0 0 0 2 24 1 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 3 19 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 2 0 0 0 0 6 18 1 0 0 0 0 7 8 1 0 0 0 0 7 26 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 27 1 0 0 0 0 10 11 1 0 0 0 0 10 17 1 0 0 0 0 11 12 2 0 0 0 0 11 28 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 13 29 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 29 30 1 0 0 0 0 M CHG 1 14 1 M CHG 1 16 -1 M END