MMs03081878 MOE2007 2D CORINA 3.40 0006 02.08.2006 60 64 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 -0.7585 1.2941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2379 2.4154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6122 1.8142 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6475 2.4210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4652 0.3214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5864 -0.6749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2841 -2.1442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0099 -0.2021 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1312 -1.1985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5547 -0.7257 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.2441 -1.8848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2269 0.6153 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.0678 0.9259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5679 -0.0570 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.4164 -0.9055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8956 -1.3979 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.2956 -2.4371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3685 -2.8214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7981 -3.2756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8079 -4.7756 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3843 -5.2484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4948 -4.0407 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7833 -5.4746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9301 -6.6780 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.9914 0.4159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4456 1.8455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9456 1.8553 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.4184 0.4317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2107 -0.4578 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2185 -1.6578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8480 -0.0224 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7541 2.0388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7505 3.1601 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2777 4.5836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8084 4.8859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2740 5.7048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9526 7.1700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2467 7.9285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3680 6.9321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7668 5.5578 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3736 4.5225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3937 9.4212 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -2.2512 1.4411 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.4809 -1.0994 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0192 3.5875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2517 0.9733 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1904 -1.9434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7015 -2.2543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7643 -2.5639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7580 -6.9352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7389 -7.5645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7339 2.8117 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1051 -1.1946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7345 0.7863 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6983 1.4685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0091 2.9796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9259 2.9182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8532 7.6509 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5401 7.1892 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 45 1 0 0 0 0 2 3 2 0 0 0 0 2 44 1 0 0 0 0 3 4 1 0 0 0 0 3 46 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 47 1 0 0 0 0 10 11 1 0 0 0 0 10 48 1 0 0 0 0 10 49 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 17 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 33 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 26 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 19 20 2 0 0 0 0 19 23 1 0 0 0 0 20 21 1 0 0 0 0 20 50 1 0 0 0 0 21 22 1 0 0 0 0 21 24 1 0 0 0 0 22 23 2 0 0 0 0 22 25 1 0 0 0 0 25 51 1 0 0 0 0 25 52 1 0 0 0 0 26 27 2 0 0 0 0 26 30 1 0 0 0 0 27 28 1 0 0 0 0 27 53 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 29 32 1 0 0 0 0 30 31 1 0 0 0 0 32 54 1 0 0 0 0 32 55 1 0 0 0 0 33 34 1 0 0 0 0 33 56 1 0 0 0 0 33 57 1 0 0 0 0 34 35 1 0 0 0 0 34 58 1 0 0 0 0 35 36 2 0 0 0 0 35 37 1 0 0 0 0 37 38 2 0 0 0 0 37 41 1 0 0 0 0 38 39 1 0 0 0 0 38 59 1 0 0 0 0 39 40 2 0 0 0 0 39 43 1 0 0 0 0 40 41 1 0 0 0 0 40 60 1 0 0 0 0 41 42 1 0 0 0 0 M END