PUBCHEM-ZINC05408037 MOE2007 3D CORINA 3.40 0006 02.08.2006 35 36 0 0 0 0 0 0 0 0999 V2000 0.8200 1.2180 -0.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0100 -0.0110 0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3570 -0.3080 1.2200 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0040 -1.5220 1.4860 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5590 -1.8470 3.0120 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.2890 -3.0630 2.9240 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4540 -1.6660 3.8880 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7280 -0.5940 3.4200 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0650 -0.7710 3.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9830 0.2110 3.4390 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5630 1.3730 4.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2250 1.5500 4.3640 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3090 0.5650 4.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8180 2.7180 4.5000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.4280 -0.8760 -1.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7040 -1.4450 -1.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0880 -2.2530 -2.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2130 -2.5010 -3.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0520 -1.9400 -3.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4480 -1.1250 -2.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6320 -3.3700 -4.3370 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.7450 -3.8650 -4.3420 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8640 -3.5900 -5.2570 O 0 5 0 0 0 0 0 0 0 0 0 0 1.8770 0.9590 -0.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5820 1.6090 -1.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5990 1.9760 0.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1280 -2.1720 0.7770 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3930 -1.6780 2.6320 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0280 0.0720 3.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8960 2.4570 4.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2640 0.7020 4.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3880 -1.2540 -0.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0740 -2.6940 -2.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7300 -2.1380 -4.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4340 -0.6850 -2.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 2 0 0 0 0 2 15 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 27 1 0 0 0 0 5 6 2 0 0 0 0 5 7 2 0 0 0 0 5 8 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 28 1 0 0 0 0 10 11 1 0 0 0 0 10 29 1 0 0 0 0 11 12 2 0 0 0 0 11 14 1 0 0 0 0 12 13 1 0 0 0 0 12 30 1 0 0 0 0 13 31 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 32 1 0 0 0 0 17 18 1 0 0 0 0 17 33 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 34 1 0 0 0 0 20 35 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 M CHG 1 21 1 M CHG 1 23 -1 M END