MMs00743448 MOE2007 2D CORINA 3.40 0006 02.08.2006 60 62 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 0.7477 -1.3004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2477 -1.3030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9954 -2.6033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4954 -2.6060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2477 -1.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 -0.0079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -0.0053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2523 1.2898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5046 2.5902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7477 -1.3109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4954 -2.6112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9954 -2.6139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7431 -3.9142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7477 -1.3162 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2477 -1.3188 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.6477 -0.2796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9954 -2.6191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4954 -2.6218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2431 -3.9221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7431 -3.9248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4954 -2.6270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7477 -1.3267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2477 -1.3241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0000 -0.0211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5000 -0.0237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7431 -3.9090 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4909 -5.2093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9909 -5.2119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7386 -6.5070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2386 -6.5044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4863 -7.8021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2340 -9.1025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7340 -9.1051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4863 -7.8074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9863 -7.8100 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.0403 0.5982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5982 1.0403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0403 -0.5982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3936 -3.6415 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0936 -3.6463 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4018 1.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5448 3.1883 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9064 3.6305 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4643 1.9920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3495 -0.2727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1495 -0.2759 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8671 -3.0276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2017 -3.8013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6413 -4.9603 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3413 -4.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6954 -2.6291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3495 -0.2885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9486 -0.8039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5431 -3.9069 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6404 -5.4641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2863 -7.8000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6322 -10.1406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3322 -10.1454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2523 1.2793 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 1 39 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 40 1 0 0 0 0 5 6 1 0 0 0 0 5 41 1 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 42 1 0 0 0 0 9 10 1 0 0 0 0 10 43 1 0 0 0 0 10 44 1 0 0 0 0 10 45 1 0 0 0 0 11 12 2 0 0 0 0 11 46 1 0 0 0 0 12 13 1 0 0 0 0 12 27 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 47 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 25 1 0 0 0 0 18 19 1 0 0 0 0 18 48 1 0 0 0 0 18 49 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 50 1 0 0 0 0 21 22 1 0 0 0 0 21 51 1 0 0 0 0 22 23 2 0 0 0 0 22 52 1 0 0 0 0 23 24 1 0 0 0 0 23 53 1 0 0 0 0 24 54 1 0 0 0 0 25 26 2 0 0 0 0 25 60 1 0 0 0 0 27 28 1 0 0 0 0 27 55 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 30 35 2 0 0 0 0 31 32 2 0 0 0 0 31 56 1 0 0 0 0 32 33 1 0 0 0 0 32 57 1 0 0 0 0 33 34 2 0 0 0 0 33 58 1 0 0 0 0 34 35 1 0 0 0 0 34 59 1 0 0 0 0 35 36 1 0 0 0 0 M CHG 1 60 -1 M END