MMs01430179 MOE2007 2D CORINA 3.40 0006 02.08.2006 54 57 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 0.7585 -1.2941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0171 -2.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7756 -3.8921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0342 -5.1960 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4658 -5.2059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2072 -6.5099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7072 -6.5197 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4657 -5.2257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9657 -5.2355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7243 -3.9217 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3311 -2.8864 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2243 -3.9118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4829 -2.6079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4486 -7.8237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9486 -7.8335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6900 -9.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1900 -9.1474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9485 -7.8533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2071 -6.5493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7071 -6.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4487 -7.8039 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7927 -6.4901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0513 -7.7941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2927 -6.4802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1823 -7.6879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6058 -7.2150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9098 -7.9565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2039 -7.1979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1940 -5.6980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8900 -4.9565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5960 -5.7151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1664 -5.2609 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.7282 -9.1175 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0353 0.6068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6068 1.0353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0353 -0.6068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9072 -1.8327 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8971 -3.3754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6898 -3.1147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6999 -4.6574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3183 -8.2267 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6492 -9.0068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0832 -10.1727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7831 -10.1905 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1485 -7.8612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8139 -5.5141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4105 -6.0179 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0418 -8.8471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8487 -7.8000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9177 -9.1564 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2470 -7.7911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2293 -5.0911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8821 -3.7566 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 38 1 0 0 0 0 3 39 1 0 0 0 0 4 5 1 0 0 0 0 4 40 1 0 0 0 0 4 41 1 0 0 0 0 5 6 1 0 0 0 0 5 23 1 0 0 0 0 6 7 2 0 0 0 0 6 13 1 0 0 0 0 7 8 1 0 0 0 0 7 22 1 0 0 0 0 8 9 1 0 0 0 0 8 15 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 2 0 0 0 0 15 16 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 44 1 0 0 0 0 18 19 1 0 0 0 0 18 45 1 0 0 0 0 19 20 2 0 0 0 0 19 46 1 0 0 0 0 20 21 1 0 0 0 0 20 47 1 0 0 0 0 21 48 1 0 0 0 0 22 49 1 0 0 0 0 22 50 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 2 0 0 0 0 25 33 1 0 0 0 0 26 27 1 0 0 0 0 26 34 1 0 0 0 0 27 28 1 0 0 0 0 27 32 2 0 0 0 0 28 29 2 0 0 0 0 28 51 1 0 0 0 0 29 30 1 0 0 0 0 29 52 1 0 0 0 0 30 31 2 0 0 0 0 30 53 1 0 0 0 0 31 32 1 0 0 0 0 31 54 1 0 0 0 0 32 33 1 0 0 0 0 M END