MMs01493678 MOE2007 2D CORINA 3.40 0006 02.08.2006 34 35 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 -1.3039 0.7415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3137 2.2414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0196 2.9999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2843 2.2585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2941 0.7585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 0.0170 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -2.5980 -0.0170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5882 -1.5170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9019 0.7245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1960 -0.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5000 0.7075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5098 2.2074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7941 -0.0510 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.0980 0.6904 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -9.0980 -0.5096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2645 2.1812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7338 2.4834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4753 1.1795 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -12.8598 1.7565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.6348 0.2279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.4643 0.0714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0079 -1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3569 2.8346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3196 2.8652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4187 -0.9482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9614 -0.9583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7862 -1.2510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0646 2.1890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1469 3.3754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3704 3.6271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8332 2.9643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8575 -0.9639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4305 -0.6403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 23 1 0 0 0 0 2 3 2 0 0 0 0 2 8 1 0 0 0 0 3 4 1 0 0 0 0 3 24 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 5 25 1 0 0 0 0 6 7 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 28 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 22 1 0 0 0 0 17 18 1 0 0 0 0 17 29 1 0 0 0 0 17 30 1 0 0 0 0 18 19 1 0 0 0 0 18 31 1 0 0 0 0 18 32 1 0 0 0 0 19 20 2 0 0 0 0 19 21 2 0 0 0 0 19 22 1 0 0 0 0 22 33 1 0 0 0 0 22 34 1 0 0 0 0 M END