MMs00908038 MOE2007 2D CORINA 3.40 0006 02.08.2006 56 60 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 -0.0855 -1.4976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3473 -2.3086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7944 -1.9136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8600 -2.9693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4785 -4.4200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0315 -4.8150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9659 -3.7593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5317 -3.8448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0758 -2.4470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5265 -2.0655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9215 -0.6185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5822 -3.1311 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0329 -2.7497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4279 -1.3026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8785 -0.9212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9342 -1.9868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5392 -3.4338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0886 -3.8153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6936 -5.2623 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -5.3070 -2.5743 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.9120 -1.1273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7020 -4.0214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7541 -2.1793 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.8197 -3.2350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2668 -2.8400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6482 -1.3893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5826 -0.3337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1355 -0.7287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8183 -2.3279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.0725 -1.5050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6775 -0.0580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1792 0.0135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1980 -0.0684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0684 1.1980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1980 0.0684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0995 -0.7531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3310 -5.2646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7263 -5.9756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2662 -4.2888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5833 -0.4501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1945 0.2365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0948 -1.6816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3838 -4.2863 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8399 -3.9279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3319 -4.3202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3769 -4.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4627 -2.9390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5624 0.3592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0704 0.7515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9396 -0.6297 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0254 0.4663 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6223 -2.5717 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1908 -1.0698 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8618 0.1353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6091 1.1401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 2 3 1 0 0 0 0 2 10 2 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 37 1 0 0 0 0 5 6 1 0 0 0 0 5 21 1 0 0 0 0 6 7 2 0 0 0 0 6 38 1 0 0 0 0 7 8 1 0 0 0 0 7 39 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 40 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 41 1 0 0 0 0 16 17 1 0 0 0 0 16 42 1 0 0 0 0 17 18 2 0 0 0 0 17 43 1 0 0 0 0 18 19 1 0 0 0 0 18 44 1 0 0 0 0 19 20 1 0 0 0 0 21 22 2 0 0 0 0 21 23 2 0 0 0 0 21 24 1 0 0 0 0 24 25 1 0 0 0 0 24 29 1 0 0 0 0 25 26 1 0 0 0 0 25 45 1 0 0 0 0 25 46 1 0 0 0 0 26 27 1 0 0 0 0 26 47 1 0 0 0 0 26 48 1 0 0 0 0 27 28 1 0 0 0 0 27 30 1 0 0 0 0 27 33 1 0 0 0 0 28 29 1 0 0 0 0 28 49 1 0 0 0 0 28 50 1 0 0 0 0 29 51 1 0 0 0 0 29 52 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 31 53 1 0 0 0 0 31 54 1 0 0 0 0 32 33 1 0 0 0 0 32 55 1 0 0 0 0 32 56 1 0 0 0 0 M END