MMs02954912 MOE2007 2D CORINA 3.40 0006 02.08.2006 59 61 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 1.3757 0.5978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5813 -0.2946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9570 0.3032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1626 -0.5893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5383 0.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7085 1.4989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5028 2.3914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1271 1.7935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6730 3.8817 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 8.0842 2.0967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2898 1.2043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6655 1.8021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8356 3.2924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8711 0.9096 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.2468 1.5075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5391 0.7459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6627 1.7396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0649 3.1153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5718 2.9718 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 17.1271 1.4146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5779 -0.0160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0422 -0.3410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0559 0.7647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6051 2.1954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1407 2.5204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5202 0.4398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5338 1.5455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9982 1.2205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6825 -0.7472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0474 -1.3695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4612 -1.6180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6047 -3.1112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4783 1.1006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1006 -0.4783 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4783 -1.1006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7136 1.5986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2463 1.4237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7107 -1.1205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2434 -1.2954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0265 -1.7815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5028 -0.7054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1627 2.5075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4191 0.3784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9519 0.2035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7350 -0.2826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6741 4.1491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7670 -0.9006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.4029 -1.4855 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.4160 3.0800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7801 3.6649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.5219 2.1905 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.9933 2.6540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.7383 0.0490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.1697 0.9606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.2582 2.3920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4102 -3.2259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7194 -4.3057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7992 -2.9964 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 2 3 1 0 0 0 0 2 37 1 0 0 0 0 2 38 1 0 0 0 0 3 4 1 0 0 0 0 3 39 1 0 0 0 0 3 40 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 41 1 0 0 0 0 6 7 1 0 0 0 0 6 42 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 9 43 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 44 1 0 0 0 0 12 45 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 46 1 0 0 0 0 16 17 2 0 0 0 0 16 20 1 0 0 0 0 17 18 1 0 0 0 0 17 30 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 47 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 48 1 0 0 0 0 23 24 1 0 0 0 0 23 49 1 0 0 0 0 24 25 2 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 25 50 1 0 0 0 0 26 51 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 28 52 1 0 0 0 0 28 53 1 0 0 0 0 29 54 1 0 0 0 0 29 55 1 0 0 0 0 29 56 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 32 33 1 0 0 0 0 33 57 1 0 0 0 0 33 58 1 0 0 0 0 33 59 1 0 0 0 0 M END