MMs03638689 MOE2007 2D CORINA 3.40 0006 02.08.2006 42 45 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 -0.7545 1.2965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0089 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4911 2.6032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2455 1.3068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 0.0051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7455 1.3119 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6314 0.1014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1727 -1.3268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0563 0.5698 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.0563 -0.6302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4845 0.1112 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.6436 -0.1994 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3620 1.3278 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4762 2.5382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0512 2.0698 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.0512 3.2698 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6230 2.5284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1546 3.9534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8620 1.3329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6075 2.6345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1075 2.6397 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.7111 1.6025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7040 3.6809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8531 3.9310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9529 -1.3138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0754 -2.5303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9613 -3.7408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3862 -3.2724 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.3811 -1.7724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7634 3.8945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2634 3.8894 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.5964 -1.0413 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9544 1.2923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0875 3.6445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1036 -1.0320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6577 0.1504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9910 0.9263 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8754 -2.5344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5944 -4.8834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3495 -1.0637 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0178 5.1961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 33 1 0 0 0 0 2 3 2 0 0 0 0 2 34 1 0 0 0 0 3 4 1 0 0 0 0 3 31 1 0 0 0 0 4 5 2 0 0 0 0 4 35 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 36 1 0 0 0 0 7 8 1 0 0 0 0 7 18 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 10 12 1 0 0 0 0 10 16 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 26 1 0 0 0 0 14 15 1 0 0 0 0 14 20 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 18 19 2 0 0 0 0 20 21 1 0 0 0 0 20 37 1 0 0 0 0 20 38 1 0 0 0 0 21 22 1 0 0 0 0 21 25 2 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 26 27 1 0 0 0 0 26 30 2 0 0 0 0 27 28 2 0 0 0 0 27 39 1 0 0 0 0 28 29 1 0 0 0 0 28 40 1 0 0 0 0 29 30 1 0 0 0 0 30 41 1 0 0 0 0 31 32 1 0 0 0 0 31 42 2 0 0 0 0 M CHG 1 32 -1 M END