MMs03316538 MOE2007 2D CORINA 3.40 0006 02.08.2006 43 44 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 -1.3013 -0.7460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 0.0079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8994 -0.7381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1961 0.0159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4974 -0.7302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7942 0.0238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0955 -0.7222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3923 0.0317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3877 1.5317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0864 2.2777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7896 1.5238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4883 2.2698 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -11.6844 2.2857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0566 1.6797 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -14.0569 2.7975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3029 4.0943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8367 3.7779 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -13.9088 5.4664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0235 6.6773 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -15.5491 2.6453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1001 -2.2222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.4014 -2.9683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5968 -1.0411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0411 0.5968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5968 1.0411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5328 -1.6676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0755 -1.6629 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8239 0.9248 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3666 0.9295 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1308 -1.6597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6735 -1.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4220 0.9328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9647 0.9375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4333 -0.5651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0827 3.4777 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6709 3.8391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.7429 2.5235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4273 1.4515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9982 -1.9272 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4425 -3.5651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8046 -4.0093 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4001 5.6278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 27 1 0 0 0 0 2 28 1 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 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 5 34 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 22 1 0 0 0 0 9 10 1 0 0 0 0 9 35 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 11 36 1 0 0 0 0 12 13 1 0 0 0 0 14 15 2 0 0 0 0 14 18 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 21 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 43 2 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 22 23 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 M CHG 1 20 -1 M END