MMs01638255 MOE2007 2D CORINA 3.40 0006 02.08.2006 42 44 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 1.2943 0.7582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 0.0165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8923 0.7747 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.9315 1.3747 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8828 2.2747 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5790 3.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5695 4.5164 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.2847 2.2582 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1960 0.0330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2056 -1.4670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5093 -2.2088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8036 -1.4505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7941 0.0494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4903 0.7912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1074 -2.1923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4016 -1.4341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3921 0.0659 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 11.7054 -2.1758 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.6075 -1.4835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9113 -2.2252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3133 -2.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0095 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2847 -2.2582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2752 -3.7582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0285 -4.4999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3228 -3.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6066 1.0354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0354 -0.6066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6066 -1.0354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9182 2.8812 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2417 2.8516 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6879 -1.7703 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5169 -3.4087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8295 0.6560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4827 1.9912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4408 -0.8341 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0057 -0.9000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3278 -1.6648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3106 -4.3647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0361 -5.6999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3658 -4.3351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 2 0 0 0 0 2 9 1 0 0 0 0 3 4 1 0 0 0 0 3 20 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 10 1 0 0 0 0 6 7 1 0 0 0 0 6 31 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 32 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 33 1 0 0 0 0 12 13 1 0 0 0 0 12 34 1 0 0 0 0 13 14 2 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 15 36 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 37 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 38 1 0 0 0 0 24 25 1 0 0 0 0 24 39 1 0 0 0 0 25 26 2 0 0 0 0 25 40 1 0 0 0 0 26 27 1 0 0 0 0 26 41 1 0 0 0 0 27 42 1 0 0 0 0 M END