PUBCHEM-ZINC05117693 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 41 0 0 1 0 0 0 0 0999 V2000 -0.0770 1.2930 0.7110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0320 -0.0460 0.5460 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2030 -0.3740 -0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8720 0.8020 -0.1910 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0780 1.8180 0.2810 N 0 3 0 0 0 0 0 0 0 0 0 0 1.4690 3.2240 0.3960 C 0 0 3 0 0 0 0 0 0 0 0 0 2.0860 3.3170 1.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1580 3.7890 -0.8730 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5220 3.5130 -1.7280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9320 5.2860 -0.6280 C 0 0 3 0 0 0 0 0 0 0 0 0 1.9920 5.8950 -1.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5730 5.3470 0.0660 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5770 6.0330 0.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2880 4.0220 0.5930 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5610 5.7100 -0.8910 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7860 5.8190 -0.1630 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8190 5.0270 0.4070 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9510 5.7550 0.2670 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6890 5.1380 0.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4690 3.5260 -0.8900 O 0 5 0 0 0 0 0 0 0 0 0 0 3.1130 0.9040 -0.7320 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5630 1.8310 -0.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6960 -0.2830 -1.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 -1.4580 -0.9380 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8410 -1.6090 -0.4080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3390 -2.7260 -0.2940 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9390 -0.1530 -1.5990 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1050 -0.9820 0.8900 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8770 -1.6250 2.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3640 -2.8000 2.6850 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.9040 1.8460 1.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3760 6.6710 -1.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7020 4.9410 -1.6570 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3750 0.7510 -1.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4500 -0.9820 -1.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0490 -0.4230 0.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1770 -1.7350 0.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0290 -2.2360 2.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8160 -0.8780 3.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 2 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 28 1 0 0 0 0 3 4 2 0 0 0 0 3 25 1 0 0 0 0 4 5 1 0 0 0 0 4 21 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 14 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 20 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 18 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 15 16 1 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 16 17 1 0 0 0 0 18 19 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 23 24 2 0 0 0 0 23 27 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 27 34 1 0 0 0 0 27 35 1 0 0 0 0 28 29 1 0 0 0 0 28 36 1 0 0 0 0 28 37 1 0 0 0 0 29 30 1 0 0 0 0 29 38 1 0 0 0 0 29 39 1 0 0 0 0 M CHG 1 5 1 M CHG 1 20 -1 M END