PUBCHEM-ZINC06491158 MOE2007 3D CORINA 3.40 0006 02.08.2006 35 36 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7420 -0.5120 1.2420 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1160 -0.3700 2.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0430 -1.9360 1.0820 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3640 -2.4440 -0.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7090 -3.6060 -0.1990 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3120 -1.6970 -1.2350 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7140 -0.4920 -1.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7470 0.2020 -2.2290 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9940 -2.8200 2.2500 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8200 -2.2330 3.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1310 -3.8580 2.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5950 -5.2220 2.1580 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8070 -5.6120 1.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9060 -4.8480 2.8960 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7390 -4.7950 3.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2310 -3.5420 2.3680 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0120 -5.8550 2.5730 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1710 -5.5550 3.3540 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1690 -6.1610 2.9180 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9910 0.2350 1.4050 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1710 0.8320 2.3400 N 0 3 0 0 0 0 0 0 0 0 0 0 2.3510 1.4290 3.2760 N 0 5 0 0 0 0 0 0 0 0 0 0 -1.8420 -0.6860 0.0120 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7120 -2.0320 -2.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8640 -3.7660 2.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6110 -3.7400 1.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6660 -6.8620 2.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2610 -5.7940 1.5140 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9140 -6.1550 3.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0380 -6.3580 2.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 9 1 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 22 1 0 0 0 0 5 6 1 0 0 0 0 5 11 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 29 1 0 0 0 0 9 10 2 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 18 1 0 0 0 0 13 14 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 21 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 19 20 1 0 0 0 0 19 32 1 0 0 0 0 19 33 1 0 0 0 0 20 34 1 0 0 0 0 21 35 1 0 0 0 0 22 23 2 0 0 0 0 23 24 2 0 0 0 0 M CHG 1 23 1 M CHG 1 24 -1 M END