MMs01263834 MOE2007 2D CORINA 3.40 0006 02.08.2006 64 68 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 1.2978 -0.7522 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2952 -2.2522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 -0.0044 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.8503 1.2959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3459 -1.3047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8984 0.7434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1961 -0.0088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4964 0.7390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4990 2.2390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2012 2.9912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9009 2.2434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7993 2.9869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8018 4.4869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0970 2.2347 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0945 0.7347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3923 -0.0175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6951 2.2303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3973 2.9825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9904 -0.0219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2907 0.7259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2932 2.2259 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.2550 2.8277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5935 2.9737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5960 4.4737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8913 2.2215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3186 2.6826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1983 1.4676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3145 0.2556 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 16.8887 0.7215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5884 -0.0263 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.6903 1.6219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3027 2.9912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4231 4.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9310 4.0519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6018 1.0382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0382 0.6018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6018 -1.0382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0952 -2.2502 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2932 -3.4522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4952 -2.2542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1941 -1.2088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5347 0.1373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2032 4.1912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8627 2.8452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9131 0.9450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6822 -0.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6194 -0.9355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1621 -0.9381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1074 3.3572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8765 2.0199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6276 3.9030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1702 3.9004 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7602 -0.9425 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2175 -0.9399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.6046 0.4250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.8542 1.3296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.2964 2.3185 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.1378 3.8530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.5025 4.7304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.0943 5.3603 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7672 4.3442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.0168 5.2489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6926 0.7303 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 3 39 1 0 0 0 0 3 40 1 0 0 0 0 3 41 1 0 0 0 0 4 5 2 0 0 0 0 4 6 2 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 42 1 0 0 0 0 9 10 1 0 0 0 0 9 43 1 0 0 0 0 10 11 2 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 11 44 1 0 0 0 0 12 45 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 19 1 0 0 0 0 16 17 1 0 0 0 0 16 46 1 0 0 0 0 16 47 1 0 0 0 0 17 48 1 0 0 0 0 17 49 1 0 0 0 0 17 64 1 0 0 0 0 18 19 1 0 0 0 0 18 50 1 0 0 0 0 18 51 1 0 0 0 0 18 64 1 0 0 0 0 19 52 1 0 0 0 0 19 53 1 0 0 0 0 20 21 1 0 0 0 0 20 54 1 0 0 0 0 20 55 1 0 0 0 0 20 64 1 0 0 0 0 21 22 1 0 0 0 0 21 31 2 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 26 30 2 0 0 0 0 27 28 2 0 0 0 0 27 35 1 0 0 0 0 28 29 1 0 0 0 0 28 32 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 32 33 1 0 0 0 0 32 56 1 0 0 0 0 32 57 1 0 0 0 0 33 34 1 0 0 0 0 33 58 1 0 0 0 0 33 59 1 0 0 0 0 34 35 1 0 0 0 0 34 60 1 0 0 0 0 34 61 1 0 0 0 0 35 62 1 0 0 0 0 35 63 1 0 0 0 0 M END