MMs02819962 MOE2007 2D CORINA 3.40 0006 02.08.2006 42 44 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 0.7592 1.2937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2591 1.2831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9999 -0.0212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2408 -1.3149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7408 -1.3043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4999 -0.0318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2407 -1.3361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7406 -1.3467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4998 -0.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9998 -0.0636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7406 -1.3679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9814 -2.6616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4814 -2.6510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7223 -3.9447 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 11.2405 -1.3785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9813 -2.6828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9997 -0.0848 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.4997 -0.0954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2405 -1.3998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7404 -1.4104 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.4996 -0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7588 1.1877 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.2588 1.1983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5180 2.5026 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.4813 -2.6935 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 0.0085 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1665 2.3371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8665 2.3181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8334 -2.3584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1335 -2.3393 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2999 1.1514 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6304 0.3706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9072 0.9904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6071 0.9713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5740 -3.7051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4071 0.9586 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6996 -0.1251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1254 3.5375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3181 2.5111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8813 -2.6892 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0739 -3.7369 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 27 1 0 0 0 0 2 3 2 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 29 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 7 32 1 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 34 1 0 0 0 0 11 12 1 0 0 0 0 11 35 1 0 0 0 0 12 13 2 0 0 0 0 12 16 1 0 0 0 0 13 14 1 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 37 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 26 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 38 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 39 1 0 0 0 0 25 40 1 0 0 0 0 26 41 1 0 0 0 0 26 42 1 0 0 0 0 M END