MMs02564595 MOE2007 2D CORINA 3.40 0006 02.08.2006 50 52 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 1.5000 -0.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2511 1.2971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7511 1.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 -0.0039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5022 2.5942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8933 3.9650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0089 4.9678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3073 4.2166 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.9942 2.7497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9969 1.6341 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4644 1.9447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9291 3.3709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4671 0.8291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9346 1.1397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9373 0.0241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4726 -1.4020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4753 -2.5176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9428 -2.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4076 -0.7808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4048 0.3347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8751 -0.4702 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 14.9455 -3.3226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4808 -4.7488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6983 6.4353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2721 6.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1565 5.8973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4671 4.4298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0010 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 0.0010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0010 -1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2906 -1.1829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6273 -0.4127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6251 0.4932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0953 -0.3118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3064 2.2807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2986 -1.6505 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1035 -3.6586 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7766 1.4757 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3398 -4.3770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1090 -5.8897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6217 -5.1206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8976 6.4761 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8663 7.6234 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8364 7.9591 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3271 7.6396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5215 6.9155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0435 5.4487 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2991 3.2416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2678 4.3889 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 32 1 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 10 2 0 0 0 0 7 8 2 0 0 0 0 7 28 1 0 0 0 0 8 9 1 0 0 0 0 8 25 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 34 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 2 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 15 36 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 37 1 0 0 0 0 18 19 1 0 0 0 0 18 38 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 22 1 0 0 0 0 21 39 1 0 0 0 0 23 24 1 0 0 0 0 24 40 1 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 25 26 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 26 27 1 0 0 0 0 26 45 1 0 0 0 0 26 46 1 0 0 0 0 27 28 1 0 0 0 0 27 47 1 0 0 0 0 27 48 1 0 0 0 0 28 49 1 0 0 0 0 28 50 1 0 0 0 0 M END