MMs01197235 MOE2007 2D CORINA 3.40 0006 02.08.2006 59 61 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 0.7578 1.2945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2578 1.2855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0156 2.5800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2734 3.8835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7734 3.8925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0156 2.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4844 2.6070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2422 1.3125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2265 3.9106 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7173 4.0763 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.8765 4.3869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0204 5.5454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7169 6.2876 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.6082 5.2772 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.6082 5.8772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1391 5.5802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1639 4.1112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4422 7.0493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3299 5.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7277 2.9677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2728 1.5383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1930 3.2883 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.2034 2.1797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7485 0.7503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7589 -0.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2242 -0.0376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6791 1.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6687 2.5004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1444 1.7124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2346 -1.1463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0356 0.6062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6062 -1.0356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0356 -0.6062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8515 0.2427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2155 2.5728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8796 4.9191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1797 4.9354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1639 5.1814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5019 6.6446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0113 3.8687 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4063 2.9359 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7515 4.2324 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1455 7.1705 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6846 8.2246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0298 6.9281 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4512 5.2957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5052 6.1257 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2087 6.4709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5570 4.4318 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5762 0.4938 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3949 -1.5018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0327 3.6438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8879 2.8846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3167 1.9689 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4010 0.5401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1215 -0.3380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0429 -2.0332 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3476 -1.9546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 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 35 1 0 0 0 0 4 5 1 0 0 0 0 4 36 1 0 0 0 0 5 6 2 0 0 0 0 5 37 1 0 0 0 0 6 7 1 0 0 0 0 6 38 1 0 0 0 0 7 8 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 15 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 21 1 0 0 0 0 13 14 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 20 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 20 47 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 50 1 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 25 51 1 0 0 0 0 26 27 1 0 0 0 0 26 52 1 0 0 0 0 27 28 2 0 0 0 0 27 31 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 29 53 1 0 0 0 0 30 54 1 0 0 0 0 30 55 1 0 0 0 0 30 56 1 0 0 0 0 31 57 1 0 0 0 0 31 58 1 0 0 0 0 31 59 1 0 0 0 0 M END