MMs02966568 MOE2007 2D CORINA 3.40 0006 02.08.2006 53 54 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 -0.0062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2446 -1.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 1.2897 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.8554 2.3289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5107 2.5918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2661 3.8878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7553 1.2835 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3596 2.3202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 -0.0186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7446 -1.3146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9999 -0.0249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7553 1.2711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2553 1.2649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0107 2.5608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5107 2.5546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2553 1.2524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4999 -0.0435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9999 -0.0373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7553 1.2462 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 6.7446 -1.3270 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9892 -2.6229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4892 -2.6167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7338 -3.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2338 -3.9313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9784 -5.2334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2230 -6.5293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7230 -6.5231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9784 -5.2210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4784 -5.2147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7231 -6.5107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0050 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 0.0050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0050 -1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9000 -1.0454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2029 -1.9040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8403 -2.3501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2863 -0.7127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1596 2.3128 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4150 3.6025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1150 3.5913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0956 -1.0852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3956 -1.0740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9446 -1.3320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8381 -2.8945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1784 -5.2384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8187 -7.5710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1187 -7.5598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6863 -5.9064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1188 -7.5474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7598 -7.1150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0108 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5849 3.6398 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 4 1 0 0 0 0 2 35 1 0 0 0 0 3 36 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 6 1 0 0 0 0 4 8 1 0 0 0 0 6 7 2 0 0 0 0 6 52 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 12 21 1 0 0 0 0 13 14 1 0 0 0 0 13 39 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 40 1 0 0 0 0 16 17 1 0 0 0 0 16 41 1 0 0 0 0 17 18 2 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 18 42 1 0 0 0 0 19 43 1 0 0 0 0 21 22 1 0 0 0 0 21 44 1 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 1 0 0 0 0 31 49 1 0 0 0 0 31 50 1 0 0 0 0 31 51 1 0 0 0 0 52 53 1 0 0 0 0 M END