MMs01776418 MOE2007 2D CORINA 3.40 0006 02.08.2006 43 45 0 0 0 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 -0.0091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2578 1.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5157 2.5889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0157 2.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7421 1.3036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2421 1.3126 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9999 0.0182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2578 -1.2854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4999 0.0273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2578 -1.2672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7577 -1.2581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5156 -2.5526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0156 -2.5435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7577 -1.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9998 0.0545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4999 0.0454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2577 -1.2309 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 11.9998 0.0727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0155 -2.5254 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.7578 1.2763 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.7669 2.7763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7487 -0.2237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2578 1.2672 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.0156 2.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4138 3.9357 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.5346 4.9326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8291 4.1747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5083 2.7094 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6063 -1.0356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0937 -1.0519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1220 3.6245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5780 3.6409 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8358 2.3555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2844 1.2077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6250 0.4445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9219 -3.5954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6219 -3.5791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5935 1.0974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8936 1.0810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8515 0.2244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4164 6.1268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9283 4.6562 0.0000 H 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 30 1 0 0 0 0 2 3 2 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 21 1 0 0 0 0 4 5 2 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 34 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 35 1 0 0 0 0 10 36 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 37 1 0 0 0 0 14 15 1 0 0 0 0 14 38 1 0 0 0 0 15 16 2 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 16 39 1 0 0 0 0 17 40 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 21 22 2 0 0 0 0 21 23 2 0 0 0 0 21 24 1 0 0 0 0 24 25 1 0 0 0 0 24 41 1 0 0 0 0 25 26 2 0 0 0 0 25 29 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 27 42 1 0 0 0 0 28 29 1 0 0 0 0 28 43 1 0 0 0 0 M CHG 1 18 1 M CHG 1 20 -1 M END