MMs01560772 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 1.5000 -0.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2477 -1.3029 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4955 -2.6007 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6470 -1.7521 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1032 -3.9720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9868 -4.9738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3110 -4.2216 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.7921 -3.9843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2158 -5.4179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0034 -2.7549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7477 -1.3055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4955 -2.6059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 -0.0078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 -0.0104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7522 1.2873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0045 2.5877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2522 1.2847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 2.4967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5618 2.0307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8621 2.7785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1599 2.0263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1573 0.5263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8569 -0.2215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5592 0.5308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1318 0.0697 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.6750 3.9241 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 0.0021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0010 -0.6000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2937 1.1795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6283 0.4059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1435 -3.3738 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8069 -4.9441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8772 -5.7783 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2798 -5.9434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0045 -2.1549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1898 -2.6274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3731 0.4046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7104 1.1736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8642 3.9785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2001 2.6244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1955 -0.0755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8549 -1.4215 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 31 1 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 3 12 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 11 1 0 0 0 0 6 7 1 0 0 0 0 6 33 1 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 7 35 1 0 0 0 0 7 36 1 0 0 0 0 8 9 2 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 2 0 0 0 0 18 26 1 0 0 0 0 19 20 1 0 0 0 0 19 27 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 41 1 0 0 0 0 22 23 1 0 0 0 0 22 42 1 0 0 0 0 23 24 2 0 0 0 0 23 43 1 0 0 0 0 24 25 1 0 0 0 0 24 44 1 0 0 0 0 25 26 1 0 0 0 0 M END