PUBCHEM-ZINC03778812 MOE2007 3D CORINA 3.40 0006 02.08.2006 29 29 0 0 0 0 0 0 0 0999 V2000 0.1610 1.5460 -0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0200 0.1800 -0.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2890 -0.3270 -0.0110 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1240 0.7460 0.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4730 1.8900 0.1570 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5420 0.6720 0.3850 N 0 3 0 0 0 0 0 0 0 0 0 0 4.0120 -0.4230 0.7290 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1960 1.7080 0.2190 O 0 5 0 0 0 0 0 0 0 0 0 0 1.6140 -1.7410 -0.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7350 -2.3720 1.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6310 -3.6020 1.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8130 -5.2330 2.7710 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0420 -5.5900 4.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3220 -7.0480 4.3380 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.6150 2.2980 -0.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8480 -0.4450 -0.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 -2.2420 -0.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5310 -1.8380 -0.6670 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1340 -1.6500 2.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7370 -2.6420 1.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1680 -4.4240 0.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6130 -3.3700 0.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7450 -4.9270 2.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 -6.0630 2.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4660 -4.7560 4.7950 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1250 -5.9330 4.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8640 -4.0740 2.6770 N 0 3 0 0 0 0 0 0 0 0 0 0 3.2380 -3.2880 3.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9610 -4.3250 3.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 5 1 0 0 0 0 1 15 1 0 0 0 0 2 3 1 0 0 0 0 2 16 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 6 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 9 10 1 0 0 0 0 9 17 1 0 0 0 0 9 18 1 0 0 0 0 10 11 1 0 0 0 0 10 19 1 0 0 0 0 10 20 1 0 0 0 0 11 21 1 0 0 0 0 11 22 1 0 0 0 0 11 27 1 0 0 0 0 12 13 1 0 0 0 0 12 23 1 0 0 0 0 12 24 1 0 0 0 0 12 27 1 0 0 0 0 13 14 1 0 0 0 0 13 25 1 0 0 0 0 13 26 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 M CHG 1 6 1 M CHG 1 8 -1 M CHG 1 27 1 M END