MMs01434530 MOE2007 2D CORINA 3.40 0006 02.08.2006 53 54 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 1.3302 -0.6933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3949 -2.1919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5957 0.1121 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9258 -0.5812 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.6191 0.7490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2326 -1.9114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2560 -1.2745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3207 -2.7731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6509 -3.4664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9164 -2.6610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8517 -1.1624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5215 -0.4692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1172 -0.3571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0525 1.1415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4473 -1.0504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7128 -0.2450 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.5613 0.6035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6481 1.2536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0430 -0.9383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1077 -2.4369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3085 -0.1330 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.6386 -0.8263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7033 -2.3249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0335 -3.0181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2990 -2.2128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2343 -0.7142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9041 -0.0209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4998 0.0911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8300 -0.6021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2465 -3.3543 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.5546 1.0641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0641 0.5546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5546 -1.0641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2909 -1.2933 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1960 -2.2436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4466 -3.3908 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5938 -2.1401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5439 1.3109 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3083 -3.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7026 -4.6652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4697 0.7297 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8470 1.3053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5964 2.4524 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4492 1.2018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2567 1.0659 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6910 -2.9691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0853 -4.2170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.3631 -2.7674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8524 1.1780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.2753 -1.6663 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.8941 -1.1568 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.3846 0.4620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 35 1 0 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 4 5 1 0 0 0 0 4 39 1 0 0 0 0 5 6 2 0 0 0 0 5 7 2 0 0 0 0 5 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 40 1 0 0 0 0 10 11 1 0 0 0 0 10 41 1 0 0 0 0 11 12 2 0 0 0 0 11 31 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 13 42 1 0 0 0 0 14 15 2 0 0 0 0 14 16 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 20 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 19 45 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 46 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 47 1 0 0 0 0 25 26 1 0 0 0 0 25 48 1 0 0 0 0 26 27 2 0 0 0 0 26 49 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 28 50 1 0 0 0 0 29 30 1 0 0 0 0 30 51 1 0 0 0 0 30 52 1 0 0 0 0 30 53 1 0 0 0 0 M END