MMs01711545 MOE2007 2D CORINA 3.40 0006 02.08.2006 48 50 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 1.4058 -0.5233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5618 0.4325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6555 -2.0023 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6057 -3.0737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3002 -4.4033 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7793 -4.1535 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9988 -2.6697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3284 -1.9752 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.5946 -2.7793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9241 -2.0847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9874 -0.5861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1904 -2.8888 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5199 -2.1943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5831 -0.6956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9127 -0.0011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1789 -0.8052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1157 -2.3039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7861 -2.9984 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.5084 -0.1107 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.8782 -2.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4299 -1.4593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9138 -1.2398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8459 -2.4150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2941 -3.8099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8103 -4.0294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3297 -2.1955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2618 -3.3707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4186 1.1246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1246 0.4186 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4186 -1.1246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0952 0.6358 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3265 -0.4923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4867 1.1971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7972 1.3574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7852 -3.6652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3265 -3.7302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1398 -4.0878 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5701 -0.0523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9633 1.1978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1287 -2.9472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6843 -0.5191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3552 -0.1239 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0398 -4.7501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3688 -5.1453 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2020 -2.6251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0074 -4.3109 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3216 -4.1164 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 4 1 0 0 0 0 2 32 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 4 5 1 0 0 0 0 4 8 1 0 0 0 0 5 6 2 0 0 0 0 5 21 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 39 1 0 0 0 0 16 17 1 0 0 0 0 16 40 1 0 0 0 0 17 18 2 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 18 41 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 42 1 0 0 0 0 23 24 1 0 0 0 0 23 43 1 0 0 0 0 24 25 2 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 25 44 1 0 0 0 0 26 45 1 0 0 0 0 27 28 1 0 0 0 0 28 46 1 0 0 0 0 28 47 1 0 0 0 0 28 48 1 0 0 0 0 M END