MMs00086861 MOE2007 2D CORINA 3.40 0006 02.08.2006 21 21 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 -1.3031 -0.7429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3114 -2.2428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6145 -2.9857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6227 -4.4857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9094 -2.2286 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.9519 -2.8229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9012 -0.7286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1961 0.0285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5980 0.0142 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5915 1.2142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0165 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2867 -2.2571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5816 -3.0142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8847 -2.2713 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.5943 -1.0425 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0425 0.5943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5943 1.0425 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0230 -4.1999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2933 -1.0571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5734 -4.5142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 1 18 1 0 0 0 0 2 3 2 0 0 0 0 2 10 1 0 0 0 0 3 4 1 0 0 0 0 3 12 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 12 13 2 0 0 0 0 12 19 1 0 0 0 0 13 14 1 0 0 0 0 13 20 1 0 0 0 0 14 15 1 0 0 0 0 14 21 2 0 0 0 0 M CHG 1 15 -1 M END