PUBCHEM-ZINC04682182 MOE2007 3D CORINA 3.40 0006 02.08.2006 31 32 0 0 0 0 0 0 0 0999 V2000 -1.9410 -0.8910 -2.7570 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1790 -1.1850 -1.5900 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1860 -1.0910 -1.7240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8680 -0.4940 -2.7860 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2700 -0.4590 -2.7880 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9900 -1.0220 -1.7260 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -1.6160 -0.6630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9170 -1.6430 -0.6630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2290 -2.2130 0.3770 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3170 -2.3650 0.7570 Br 0 0 0 0 0 0 0 0 0 0 0 0 2.9820 0.1700 -3.8980 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4170 -0.4560 -4.9920 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2830 -1.8910 -5.3270 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7530 -2.7210 -4.6000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8610 -2.1420 -6.5540 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4510 -1.0910 -7.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0570 -1.1030 -8.2690 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2610 0.3700 -6.2540 S 0 0 0 0 0 0 0 0 0 0 0 0 3.8170 -3.4710 -7.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6160 -3.6930 -8.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8180 -2.7200 -8.2250 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8860 0.1740 -3.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6280 -1.5100 -3.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9860 -1.1290 -2.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3340 -0.0500 -3.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0770 -1.0000 -1.7350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7170 -2.0910 0.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1450 1.2380 -3.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7340 -3.6230 -7.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7780 -4.2260 -6.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5790 -4.8370 -8.6360 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 25 1 0 0 0 0 5 6 1 0 0 0 0 5 11 1 0 0 0 0 6 7 2 0 0 0 0 6 26 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 9 27 1 0 0 0 0 11 12 2 0 0 0 0 11 28 1 0 0 0 0 12 13 1 0 0 0 0 12 18 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 19 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 19 20 1 0 0 0 0 19 29 1 0 0 0 0 19 30 1 0 0 0 0 20 21 2 0 0 0 0 20 31 1 0 0 0 0 M CHG 1 31 -1 M END