MMs01397294 MOE2007 2D CORINA 3.40 0006 02.08.2006 40 42 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 -1.5000 0.0020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2483 1.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4966 2.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0034 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7517 1.2981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2517 1.2961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0034 2.5942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2551 3.8942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0068 5.1922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5068 5.1903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2551 3.8902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5034 2.5922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2517 1.2922 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7517 1.2902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5034 2.5883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5000 -0.0098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0000 -0.0118 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.7483 -1.3118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1364 -2.6813 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.0440 -0.5798 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2498 -3.6865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5498 -2.9382 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2399 -1.4705 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2585 6.4883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0102 7.7864 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.5565 5.7366 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.9604 7.2400 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.7483 1.3039 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.5986 -1.0400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1014 -1.0365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0952 3.6400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6048 3.6365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0551 3.8957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4081 6.2322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4551 3.8887 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6503 0.2537 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3718 -0.4188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7068 -1.1918 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1228 -4.8797 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 30 1 0 0 0 0 2 3 2 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 29 1 0 0 0 0 4 5 2 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 34 1 0 0 0 0 10 11 1 0 0 0 0 10 35 1 0 0 0 0 11 12 2 0 0 0 0 11 25 1 0 0 0 0 12 13 1 0 0 0 0 12 36 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 24 1 0 0 0 0 20 22 1 0 0 0 0 21 24 1 0 0 0 0 22 23 2 0 0 0 0 22 40 1 0 0 0 0 23 24 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 28 1 0 0 0 0 M END