MMs02563667 MOE2007 2D CORINA 3.40 0006 02.08.2006 55 57 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 1.3768 -0.5954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5808 0.2992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9576 -0.2962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1616 0.5984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5383 0.0030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7111 -1.4870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5071 -2.3817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1303 -1.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6798 -3.8717 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 8.0879 -2.0825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2919 -1.1879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6686 -1.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8414 -3.2733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8727 -0.8887 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.2494 -1.4841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5404 -0.7202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6658 -1.7119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0704 -3.0887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5770 -2.9479 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 15.8342 -4.3797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1296 -1.3844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5778 0.0471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0416 0.3746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0572 -0.7293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6089 -2.1608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1451 -2.4883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6812 0.7731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4583 1.6418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0449 1.3979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1857 2.8912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4763 1.1014 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1014 0.4763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4763 -1.1014 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7164 -1.5974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2488 -1.4197 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7087 1.1235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2411 1.3012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0234 1.7904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5016 0.7187 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1671 -2.5019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4198 -0.3635 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9522 -0.1859 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7345 0.3034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8014 -4.9907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4453 -5.4124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8670 -3.7686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7654 0.9302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.4002 1.5198 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.2282 -0.4673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.4214 -3.0439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7865 -3.6335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3804 2.7786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2984 4.0859 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9910 3.0039 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 35 1 0 0 0 0 2 36 1 0 0 0 0 3 4 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 9 2 0 0 0 0 5 6 2 0 0 0 0 5 39 1 0 0 0 0 6 7 1 0 0 0 0 6 40 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 41 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 42 1 0 0 0 0 12 43 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 44 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 28 1 0 0 0 0 18 19 2 0 0 0 0 18 22 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 48 1 0 0 0 0 24 25 1 0 0 0 0 24 49 1 0 0 0 0 25 26 2 0 0 0 0 25 50 1 0 0 0 0 26 27 1 0 0 0 0 26 51 1 0 0 0 0 27 52 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 30 31 1 0 0 0 0 31 53 1 0 0 0 0 31 54 1 0 0 0 0 31 55 1 0 0 0 0 M END