PUBCHEM-ZINC02046955 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 55 0 0 1 0 0 0 0 0999 V2000 -0.5210 1.3730 0.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5210 -0.0320 -0.1050 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2230 -0.5250 -1.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8940 0.2770 -2.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6310 -0.2990 -3.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6880 -1.6960 -3.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0350 -2.5220 -2.3070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2980 -1.9270 -1.2690 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6100 -3.0360 -0.0010 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.0780 -3.8940 -2.3450 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7990 -4.4990 -3.4200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7930 -6.0130 -3.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4730 -6.6860 -4.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6530 -8.2010 -4.2580 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6810 -8.6440 -4.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1680 -8.8150 -5.5720 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1190 -10.3420 -5.5840 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4240 -10.9850 -6.9430 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8730 -10.2260 -7.8470 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6620 -8.4760 -3.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7470 -7.8300 -3.1680 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3840 0.5660 -4.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8630 0.6250 -3.8500 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3650 1.5040 -2.9070 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6650 1.6070 -2.5820 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4950 0.7700 -3.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1170 -0.1270 -4.1310 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8110 -0.1850 -4.4540 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4990 -1.1100 -5.4220 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8290 0.8470 -2.9050 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4920 1.7480 0.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9950 1.8970 -0.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1150 1.5750 1.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8560 1.3600 -2.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2670 -2.1230 -4.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3210 -4.2400 -4.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8410 -4.1550 -3.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2990 -6.2600 -2.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7630 -6.3740 -3.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8590 -6.4980 -5.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4420 -6.2070 -4.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5540 -8.4430 -6.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1940 -8.4830 -5.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8360 -10.7450 -4.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1200 -10.6770 -5.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1760 0.2160 -5.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9780 1.5860 -4.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7120 2.1820 -2.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5830 -1.2570 -5.8070 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2700 -1.6750 -5.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1270 1.5340 -2.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4500 0.2020 -3.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1800 -12.2260 -6.9970 O 0 5 0 0 0 0 0 0 0 0 0 0 3.2620 -9.3030 -2.2510 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 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 34 1 0 0 0 0 5 6 1 0 0 0 0 5 22 1 0 0 0 0 6 7 2 0 0 0 0 6 35 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 13 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 14 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 20 1 0 0 0 0 16 17 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 18 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 18 19 2 0 0 0 0 18 53 1 0 0 0 0 20 21 2 0 0 0 0 20 54 1 0 0 0 0 22 23 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 48 1 0 0 0 0 25 26 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 28 29 1 0 0 0 0 29 49 1 0 0 0 0 29 50 1 0 0 0 0 30 51 1 0 0 0 0 30 52 1 0 0 0 0 M CHG 1 53 -1 M CHG 1 54 -1 M END