MMs03548243 MOE2007 2D CORINA 3.40 0006 02.08.2006 40 43 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 1.4374 0.4287 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2894 -0.8059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3784 -1.9976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0365 -1.4996 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2710 -2.3515 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.5816 -1.1924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3075 -3.8510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7449 -4.2798 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.8964 -5.1283 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5968 -3.0452 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.1968 -4.0844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6859 -1.8534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0964 -3.0087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8146 -1.6918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2430 -5.6947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9551 -3.3824 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4426 -3.5753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3535 -2.3836 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7769 -0.9989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6878 0.1929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8410 -2.5766 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.0410 -2.5766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4177 -3.9613 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.0177 -5.0006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5068 -5.1531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0192 -4.9601 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9052 -4.1543 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 6.7520 -1.3849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9534 0.7287 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1114 -3.7546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0866 -5.0305 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9168 -4.1952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2337 -3.3916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0143 -1.6627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4225 -5.9156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5722 -5.7052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1481 -6.2982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2905 -5.9135 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9420 -1.5393 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 5 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 20 1 0 0 0 0 4 5 1 0 0 0 0 4 17 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 13 1 0 0 0 0 8 9 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 16 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 14 15 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 35 1 0 0 0 0 16 36 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 18 27 1 0 0 0 0 19 20 1 0 0 0 0 19 22 1 0 0 0 0 20 21 2 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 29 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 28 1 0 0 0 0 26 27 1 0 0 0 0 26 37 1 0 0 0 0 26 38 1 0 0 0 0 27 39 1 0 0 0 0 29 40 1 0 0 0 0 M END