MMs02546706 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 -1.5000 -0.0074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2564 1.2880 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.8564 0.2487 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5128 2.5907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0128 2.5980 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7436 1.3027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7308 3.9008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2308 3.9081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7563 1.2806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5127 2.5759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2026 -1.1828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1296 -0.4049 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2858 -1.1881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6256 -0.4233 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6424 2.9955 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3102 3.7734 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6666 0.5359 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6590 2.0786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1257 4.9370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4999 -0.0221 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 7 1 0 0 0 0 1 12 1 0 0 0 0 1 13 1 0 0 0 0 2 3 1 0 0 0 0 2 14 1 0 0 0 0 2 15 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 10 1 0 0 0 0 5 6 1 0 0 0 0 5 16 1 0 0 0 0 5 17 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 18 1 0 0 0 0 7 19 1 0 0 0 0 8 9 2 0 0 0 0 8 20 1 0 0 0 0 10 11 2 0 0 0 0 10 21 1 0 0 0 0 M CHG 1 21 -1 M END