MMs02258645 MOE2007 2D CORINA 3.40 0006 02.08.2006 21 21 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 0.0096 -1.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0297 -0.9000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2847 -2.2582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2751 -3.7582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3134 -2.2417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6076 -1.4834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 0.0166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8923 0.7748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1960 0.0331 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2314 0.6397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2056 -1.4668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5094 -2.2085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9114 -2.2251 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 0.0077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0077 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -0.0077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3210 -3.4416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5550 0.6099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8846 1.9748 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5885 -1.5165 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 15 1 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 6 1 0 0 0 0 4 5 2 0 0 0 0 4 21 1 0 0 0 0 6 7 1 0 0 0 0 6 18 1 0 0 0 0 7 8 1 0 0 0 0 7 14 2 0 0 0 0 8 9 2 0 0 0 0 8 19 1 0 0 0 0 9 10 1 0 0 0 0 9 20 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 M CHG 1 21 -1 M END