MMs01651892 MOE2007 2D CORINA 3.40 0006 02.08.2006 44 46 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 1.3031 -0.7429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 0.0142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9012 -0.7287 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.9404 -1.3287 0.0000 H 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 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 S 0 0 0 0 0 0 0 0 0 0 0 0 1.3113 -2.2429 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1961 0.0284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4992 -0.7144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7941 0.0427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7859 1.5426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4828 2.2855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1879 1.5284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0808 2.2997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0726 3.7997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3839 1.5569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6789 2.3140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5898 1.5142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8847 2.2713 0.0000 O 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 -0.0082 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3113 2.2429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3195 3.7428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0246 4.4999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2785 3.7571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6227 4.4857 0.0000 Cl 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 -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 4.9519 -2.8229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2754 -2.8485 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5058 -1.9144 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8366 -0.5516 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4762 3.4855 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6666 1.8256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2845 1.2780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7148 2.9196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0732 3.3499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0049 0.9000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3473 1.6372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0312 5.6999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3144 4.3627 0.0000 H 0 0 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 2 0 0 0 0 2 9 1 0 0 0 0 3 4 1 0 0 0 0 3 20 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 10 1 0 0 0 0 6 7 1 0 0 0 0 6 32 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 33 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 34 1 0 0 0 0 12 13 1 0 0 0 0 12 35 1 0 0 0 0 13 14 2 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 15 37 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 41 1 0 0 0 0 24 25 1 0 0 0 0 24 42 1 0 0 0 0 25 26 2 0 0 0 0 25 28 1 0 0 0 0 26 27 1 0 0 0 0 26 43 1 0 0 0 0 27 44 1 0 0 0 0 M END