MMs03337463 MOE2007 2D CORINA 3.40 0006 02.08.2006 58 59 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 1.2938 -0.7589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 -0.0179 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.5980 -1.2179 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6083 1.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9125 2.2231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1960 -0.0357 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.1960 -1.2357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8919 -0.7768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4899 -0.7946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4796 -2.2946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7940 -0.0536 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0879 -0.8125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.1271 -1.4125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3921 -0.0715 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.3528 0.5285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4024 1.4285 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.4024 2.6285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7065 2.1695 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.7458 2.7695 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0004 1.4106 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.0396 0.8106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9901 -0.0893 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.9901 -1.2893 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6859 -0.8304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2839 -0.8482 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 14.2736 -2.3482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3046 2.1517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3128 3.3517 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7169 3.6695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7602 4.2624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1085 2.1874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1168 3.3874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0776 -2.3125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.0776 -3.5125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7734 -3.0535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3714 -3.0714 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.6071 1.0351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0351 0.6071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6071 -1.0351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5162 -1.6728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0589 -1.6835 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4252 1.2819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2057 2.6125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1475 3.1477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6901 3.1371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1142 -1.6907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6569 -1.7013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8023 1.1464 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0736 -2.3400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2654 -3.5482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4736 -2.3565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1806 -2.0102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7301 -3.6464 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3663 -4.0969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2063 1.4642 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.6245 2.5890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3867 1.2477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 38 1 0 0 0 0 1 39 1 0 0 0 0 1 40 1 0 0 0 0 2 3 1 0 0 0 0 2 41 1 0 0 0 0 2 42 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 9 1 0 0 0 0 5 6 1 0 0 0 0 5 43 1 0 0 0 0 5 44 1 0 0 0 0 6 45 1 0 0 0 0 6 46 1 0 0 0 0 6 56 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 7 56 1 0 0 0 0 9 47 1 0 0 0 0 9 48 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 49 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 34 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 25 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 32 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 30 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 28 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 26 1 0 0 0 0 26 27 1 0 0 0 0 27 50 1 0 0 0 0 27 51 1 0 0 0 0 27 52 1 0 0 0 0 28 29 1 0 0 0 0 30 31 1 0 0 0 0 32 33 1 0 0 0 0 34 35 1 0 0 0 0 34 36 1 0 0 0 0 34 37 1 0 0 0 0 36 53 1 0 0 0 0 36 54 1 0 0 0 0 36 55 1 0 0 0 0 56 57 1 0 0 0 0 56 58 1 0 0 0 0 M CHG 1 56 1 M END