PUBCHEM-ZINC03991718 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 41 0 0 0 0 0 0 0 0999 V2000 3.0080 1.7350 -0.7010 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7940 0.3490 -0.6810 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6110 -0.2150 -0.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6260 0.6910 0.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8280 2.0780 0.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0290 2.6030 -0.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2570 4.0160 -0.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4450 5.1620 -0.2220 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3970 -1.6040 -0.1110 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4900 -2.5890 -0.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1520 -2.7530 1.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6760 -3.7030 2.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2270 -3.7940 3.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2570 -2.9360 3.7760 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7730 -2.0240 2.8560 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2240 -1.9310 1.5740 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2060 -0.8620 3.3070 Br 0 0 0 0 0 0 0 0 0 0 0 0 4.8010 -2.9870 5.0350 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8320 -3.0160 6.3650 S 0 0 0 0 0 0 0 0 0 0 0 0 4.7560 -2.4410 7.5210 N 0 5 0 0 0 0 0 0 0 0 0 0 5.4400 -3.1560 7.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6970 -2.1570 6.0370 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5130 -4.4280 6.5480 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1350 -2.1760 0.0250 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5240 -2.5070 1.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6900 -3.0410 0.8850 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8130 -3.0530 -0.4880 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7160 -2.5280 -0.9860 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9470 2.1210 -1.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5860 -0.2730 -1.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3200 0.3340 0.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 2.7340 0.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1100 -3.5700 -0.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2360 -2.3410 -0.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8590 -4.3710 1.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8320 -4.5200 4.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6270 -1.2020 0.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1160 -2.3380 2.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4830 -2.3810 -2.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 29 1 0 0 0 0 2 3 2 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 3 9 1 0 0 0 0 4 5 2 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 32 1 0 0 0 0 6 7 1 0 0 0 0 7 8 3 0 0 0 0 9 10 1 0 0 0 0 9 24 1 0 0 0 0 10 11 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 35 1 0 0 0 0 13 14 1 0 0 0 0 13 36 1 0 0 0 0 14 15 2 0 0 0 0 14 18 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 16 37 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 22 2 0 0 0 0 19 23 2 0 0 0 0 20 21 1 0 0 0 0 24 25 1 0 0 0 0 24 28 1 0 0 0 0 25 26 2 0 0 0 0 25 38 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 39 1 0 0 0 0 M CHG 1 20 -1 M END