MMs00816079 MOE2007 2D CORINA 3.40 0006 02.08.2006 37 38 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 1.2953 -0.7565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 -0.0130 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8933 -0.7695 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1961 -0.0261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2036 1.4739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4913 -0.7826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7941 -0.0391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0894 -0.7956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0819 -2.2956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7791 -3.0391 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4838 -2.2826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3922 -0.0522 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.2877 -2.2565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5830 -3.0130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5755 -4.5130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2727 -5.2565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0226 -4.4999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0151 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3254 -5.2434 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.6206 -4.4869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3329 -6.7434 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.2651 -6.7564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5604 -7.5129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6052 1.0362 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0362 0.6052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6052 -1.0362 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8873 -1.9695 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8002 1.1609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1181 -2.9008 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4416 -2.8773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6252 -2.4182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6117 -5.1182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0513 -2.3948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9552 -8.5492 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5966 -8.1182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1656 -6.4767 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 2 0 0 0 0 2 14 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 28 1 0 0 0 0 5 6 2 0 0 0 0 5 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 29 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 10 11 2 0 0 0 0 10 30 1 0 0 0 0 11 12 1 0 0 0 0 12 31 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 32 1 0 0 0 0 16 17 1 0 0 0 0 16 33 1 0 0 0 0 17 18 2 0 0 0 0 17 23 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 19 34 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 23 24 1 0 0 0 0 24 35 1 0 0 0 0 24 36 1 0 0 0 0 24 37 1 0 0 0 0 M CHG 1 20 1 M CHG 1 22 -1 M END