MMs01174092 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 1.4928 0.1471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1117 1.5135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6045 1.6606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4783 0.4414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8593 -0.9249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3666 -1.0721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9711 0.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7295 1.8827 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1946 1.5613 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3418 0.0686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9675 -0.5327 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.6359 -0.6898 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9398 0.0517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9495 1.5517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2339 -0.7067 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.1947 -1.3067 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2242 -2.2066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5378 0.0349 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.8320 -0.7235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8223 -2.2235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1358 0.0181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1455 1.5181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4494 2.2596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7436 1.5012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7339 0.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4300 -0.7403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0280 -0.7571 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.1177 1.1942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1942 -0.1177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1177 -1.1942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4127 2.4888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0997 2.7537 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5584 -1.9003 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8714 -2.1651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6281 -1.8898 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0243 -2.1989 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2165 -3.4066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4242 -2.2144 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5456 1.2349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1102 2.1248 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4572 3.4596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7867 2.0945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4222 -1.9403 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 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 32 1 0 0 0 0 4 5 1 0 0 0 0 4 33 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 34 1 0 0 0 0 7 35 1 0 0 0 0 8 9 2 0 0 0 0 8 12 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 36 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 19 20 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 43 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 27 44 1 0 0 0 0 M END