MMs03033738 MOE2007 2D CORINA 3.40 0006 02.08.2006 31 30 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 -0.7463 -1.3012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0074 -2.5981 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6074 -3.6373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5074 -2.5938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2537 -1.2926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2388 -3.9035 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.6388 -4.9428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9925 -2.6067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4925 -2.6110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2463 -1.3141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7463 -1.3184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5000 -0.0129 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3000 -0.0095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1030 1.0246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9851 -5.2047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4851 -5.2090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0409 -0.5970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5970 1.0409 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0409 0.5970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6677 -0.5325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2048 -1.6882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4293 -2.3998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2043 -1.4255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2808 -3.7921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6190 -3.0246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2612 -3.8907 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.7388 -3.8992 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 0.3900 -4.3064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9438 -5.0816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2314 -6.5016 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 2 3 1 0 0 0 0 2 21 1 0 0 0 0 2 22 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 28 1 0 0 0 0 5 6 2 0 0 0 0 5 27 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 16 1 0 0 0 0 7 28 1 0 0 0 0 9 10 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 10 11 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 16 17 2 0 0 0 0 16 31 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 M CHG 1 27 -1 M CHG 1 28 1 M CHG 1 31 -1 M END