MMs01106491 MOE2007 2D CORINA 3.40 0006 02.08.2006 52 57 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 1.5000 0.0114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2598 -1.2818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7598 -1.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4999 0.0343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7400 1.3276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2400 1.3162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4801 2.6094 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.9998 0.0457 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8722 1.2660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3978 2.6890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3023 0.8133 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.3023 2.0133 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7253 1.2877 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.8844 1.5983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6162 0.0809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7438 -1.1393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3137 -0.6866 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.2745 -0.0866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8907 -1.1610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4381 -2.5911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2230 -1.3885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2940 -0.3383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4431 -2.8722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6930 -3.7015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5997 -5.1986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2566 -5.8664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0067 -5.0371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0999 -3.5400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0497 -2.4690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5660 -2.6891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1779 2.7178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1658 3.8248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6184 5.2549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0832 5.5779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0954 4.4709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6427 3.0408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5602 4.7940 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.0091 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -0.0091 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0091 -1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6678 -2.3256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3677 -2.3050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3320 2.3714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7675 -3.1673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5997 -5.8620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1820 -7.0641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9322 -5.5714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9939 3.5664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8087 6.1405 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4453 6.7220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4525 2.1552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 39 1 0 0 0 0 1 40 1 0 0 0 0 1 41 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 42 1 0 0 0 0 4 5 1 0 0 0 0 4 43 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 6 44 1 0 0 0 0 7 8 1 0 0 0 0 9 10 1 0 0 0 0 9 20 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 18 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 32 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 22 1 0 0 0 0 17 30 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 2 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 25 45 1 0 0 0 0 26 27 1 0 0 0 0 26 46 1 0 0 0 0 27 28 2 0 0 0 0 27 47 1 0 0 0 0 28 29 1 0 0 0 0 28 48 1 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 32 33 1 0 0 0 0 32 37 2 0 0 0 0 33 34 2 0 0 0 0 33 49 1 0 0 0 0 34 35 1 0 0 0 0 34 50 1 0 0 0 0 35 36 2 0 0 0 0 35 51 1 0 0 0 0 36 37 1 0 0 0 0 36 38 1 0 0 0 0 37 52 1 0 0 0 0 M END