PUBCHEM-ZINC05077587 MOE2007 3D CORINA 3.40 0006 02.08.2006 29 30 0 0 0 0 0 0 0 0999 V2000 -0.0160 1.3800 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0030 -0.0050 -0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2040 -0.6870 -0.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4010 0.0130 -0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3860 1.4150 -0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1640 2.0920 -0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6530 2.1700 -0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7140 1.5770 -0.0350 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6340 3.5180 -0.0140 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8320 4.2330 0.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9840 3.7480 -0.5200 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1650 4.4570 -0.4210 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2020 5.6490 0.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0570 6.1360 0.8820 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8700 5.4340 0.7820 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3020 6.1050 1.6000 Br 0 0 0 0 0 0 0 0 0 0 0 0 8.4700 6.4050 0.3840 N 0 3 0 0 0 0 0 0 0 0 0 0 9.4800 5.9770 -0.1460 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5040 7.4550 1.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.5810 -0.6550 -0.0530 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9600 1.9050 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5550 -0.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2100 -1.7670 -0.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1440 3.1720 -0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7890 3.9910 -0.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9560 2.8170 -1.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0610 4.0790 -0.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0890 7.0670 1.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9210 -0.8410 -0.9390 H 0 0 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 21 1 0 0 0 0 2 3 2 0 0 0 0 2 22 1 0 0 0 0 3 4 1 0 0 0 0 3 23 1 0 0 0 0 4 5 2 0 0 0 0 4 20 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 24 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 25 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 26 1 0 0 0 0 12 13 1 0 0 0 0 12 27 1 0 0 0 0 13 14 2 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 14 28 1 0 0 0 0 15 16 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 20 29 1 0 0 0 0 M CHG 1 17 1 M CHG 1 19 -1 M END