PUBCHEM-ZINC06211258 MOE2007 3D CORINA 3.40 0006 02.08.2006 29 30 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.4610 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0230 -0.6900 1.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0410 -2.0790 1.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0380 -2.7570 -0.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0520 -3.9720 -0.1880 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0170 -2.0030 -1.2410 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.6620 -1.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0290 -0.0200 -2.2030 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0130 -2.6580 -2.5520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0600 -2.5010 2.4650 N 0 3 0 0 0 0 0 0 0 0 0 0 0.0540 -1.4640 3.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0310 -0.3220 2.5040 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0220 0.5860 2.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0720 -1.5290 5.1420 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.0820 -3.9000 2.9010 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5320 -4.3680 3.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5550 -5.7730 3.4760 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5720 -6.8570 3.8150 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8380 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5450 1.8220 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.8120 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0160 -2.8340 -2.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5110 -2.0180 -3.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5400 -3.6100 -2.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4210 -3.9880 3.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4310 -4.5180 2.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0350 -4.2790 2.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0450 -3.7490 3.7740 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 2 3 1 0 0 0 0 2 8 1 0 0 0 0 3 4 2 0 0 0 0 3 13 1 0 0 0 0 4 5 1 0 0 0 0 4 11 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 8 9 2 0 0 0 0 10 23 1 0 0 0 0 10 24 1 0 0 0 0 10 25 1 0 0 0 0 11 12 2 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 16 17 1 0 0 0 0 16 26 1 0 0 0 0 16 27 1 0 0 0 0 17 18 1 0 0 0 0 17 28 1 0 0 0 0 17 29 1 0 0 0 0 18 19 3 0 0 0 0 M CHG 1 11 1 M END