NCID-ZINC01712636 MOE2007 3D CORINA 3.40 0006 02.08.2006 22 22 0 0 1 0 0 0 0 0999 V2000 0.1710 1.5990 -0.6260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0770 0.2070 -0.5640 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1550 -0.5750 -0.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3340 0.0760 0.2900 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4210 1.4740 0.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3430 2.2400 -0.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6530 2.1460 0.6460 N 0 3 0 0 0 0 0 0 0 0 0 0 4.5550 1.4530 1.1370 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7220 3.3740 0.4900 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0700 -2.0890 -0.0340 C 0 0 3 0 0 0 0 0 0 0 0 0 2.0630 -2.5000 0.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4350 -2.7350 -1.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6680 -4.2400 -1.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7660 -4.6580 -0.8750 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0130 -2.5180 1.5730 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.6760 2.1820 -0.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8560 -0.2650 -0.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1740 -0.5160 0.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3950 3.3240 -0.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6440 -2.5400 -1.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8740 -2.3150 -2.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2700 -4.8860 -1.8810 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 16 1 0 0 0 0 2 3 2 0 0 0 0 2 17 1 0 0 0 0 3 4 1 0 0 0 0 3 10 1 0 0 0 0 4 5 2 0 0 0 0 4 18 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 19 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 15 1 0 0 0 0 12 13 1 0 0 0 0 12 20 1 0 0 0 0 12 21 1 0 0 0 0 13 14 2 0 0 0 0 13 22 1 0 0 0 0 M CHG 1 7 1 M CHG 1 9 -1 M CHG 1 22 -1 M END