MMs03131660 MOE2007 2D CORINA 3.40 0006 02.08.2006 53 52 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 0.7445 -1.3022 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3445 -0.2629 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2445 -1.3085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -0.0126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9891 -2.6106 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4891 -2.6169 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.6891 -2.6169 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2445 -1.3210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2336 -3.9191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4782 -5.2150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0109 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5109 -2.5918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2554 -1.2896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2663 -3.8876 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0663 -3.8876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7663 -3.8814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5109 -2.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0108 -2.5729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7554 -1.2707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2554 -1.2644 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.9999 0.0378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4999 0.0440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.2445 1.3336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5218 -5.1898 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2772 -6.4857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7772 -6.4794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5327 -7.7879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0417 0.5956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5956 1.0417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0417 -0.5956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3847 -3.6473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2812 -1.9254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8489 -0.2843 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2078 -0.7167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5847 -3.6398 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5629 -5.0640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8957 -4.2870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3815 -2.1735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7143 -1.3965 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8074 -3.7555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1402 -2.9786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6260 -0.8650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9588 -0.0881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8597 -2.3011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2078 0.7293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6401 2.3703 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2812 1.9380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3218 -5.1948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5744 -8.3835 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9370 -8.8296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4909 -7.1922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7336 -3.9254 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 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 32 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 10 11 2 0 0 0 0 10 53 1 0 0 0 0 12 13 1 0 0 0 0 12 36 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 25 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 18 19 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 19 20 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 20 21 1 0 0 0 0 20 43 1 0 0 0 0 20 44 1 0 0 0 0 21 22 1 0 0 0 0 21 45 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 46 1 0 0 0 0 24 47 1 0 0 0 0 24 48 1 0 0 0 0 25 26 1 0 0 0 0 25 49 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 28 50 1 0 0 0 0 28 51 1 0 0 0 0 28 52 1 0 0 0 0 M CHG 1 53 -1 M END