MMs02881606 MOE2007 2D CORINA 3.40 0006 02.08.2006 42 43 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 1.2946 0.7576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2858 2.2576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5804 3.0152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5716 4.5152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2682 5.2575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2594 6.7575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5540 7.5151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8574 6.7728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8662 5.2728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1520 7.5304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1432 9.0303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4555 6.7880 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7501 7.5456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7413 9.0456 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.0535 6.8033 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3481 7.5609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3393 9.0609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6339 9.8185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9373 9.0761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9461 7.5761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6515 6.8185 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.2495 6.8338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2319 9.8337 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.6061 1.0357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0357 -0.6061 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6061 -1.0357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7116 -0.3676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4751 0.9729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1053 2.0423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8688 3.3828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2325 4.6514 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2167 7.3514 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5470 8.7151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9090 4.6789 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4625 5.5880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0605 5.6033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2966 9.6547 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6269 11.0184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6557 5.7910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2923 6.2399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8434 7.8765 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 28 1 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 7 33 1 0 0 0 0 8 9 2 0 0 0 0 8 34 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 10 35 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 36 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 16 37 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 20 21 2 0 0 0 0 20 24 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 M END