PUBCHEM-ZINC06491146 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 40 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 1.9700 -3.2720 2.4230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0780 -3.9140 2.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6940 -4.0960 3.4570 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.5380 -5.1140 3.8130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0790 -3.0890 4.3380 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9150 -3.5830 4.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5650 -2.0870 3.4170 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8560 -2.4590 5.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1000 -1.6220 6.2500 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1230 -3.7720 3.4370 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8370 -4.4180 2.8560 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.5510 -5.0640 2.2760 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9610 0.2170 1.4010 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 -0.0180 2.6470 C 0 0 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 -0.8360 -3.5820 1.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3820 -4.8430 1.7130 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6120 -1.8620 4.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3420 -3.2460 5.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6300 -1.1890 6.9330 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7410 -4.8630 1.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9620 0.2720 3.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8650 -1.0770 2.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5360 0.5710 2.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 9 1 0 0 0 0 2 26 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 24 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 30 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 31 1 0 0 0 0 13 32 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 33 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 22 23 2 0 0 0 0 23 36 1 0 0 0 0 24 25 1 0 0 0 0 25 37 1 0 0 0 0 25 38 1 0 0 0 0 25 39 1 0 0 0 0 M CHG 1 22 1 M END