PUBCHEM-ZINC03025207 MOE2007 3D CORINA 3.40 0006 02.08.2006 32 33 0 0 0 0 0 0 0 0999 V2000 0.8890 2.2270 -0.3470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3080 0.9570 -0.3070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9330 -0.0990 0.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1580 0.1490 1.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7410 1.4180 0.9730 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1130 2.4670 0.2900 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7150 3.8460 0.2950 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3740 4.5580 1.5230 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7730 6.1150 1.4860 S 0 0 0 0 0 0 0 0 0 0 0 0 1.6170 6.5670 2.8520 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5480 6.8760 0.5270 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1450 5.8910 0.8260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7510 5.0560 1.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0320 4.8640 0.9820 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4060 5.5140 -0.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5130 6.3560 -0.8620 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2290 6.5470 -0.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1450 5.2560 -0.8950 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.3020 -1.4710 0.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7930 -1.6310 -0.2060 O 0 5 0 0 0 0 0 0 0 0 0 0 0.3720 3.0240 -0.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6440 0.7870 -0.8070 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6590 -0.6560 1.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6870 1.5780 1.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8070 3.7700 0.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3900 4.3960 -0.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5390 4.1130 2.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4600 4.5480 2.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7270 4.2080 1.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8070 6.8660 -1.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4630 7.2030 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9130 -2.3660 1.0870 O 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 19 1 0 0 0 0 4 5 2 0 0 0 0 4 23 1 0 0 0 0 5 6 1 0 0 0 0 5 24 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 25 1 0 0 0 0 7 26 1 0 0 0 0 8 9 1 0 0 0 0 8 27 1 0 0 0 0 9 10 2 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 28 1 0 0 0 0 14 15 1 0 0 0 0 14 29 1 0 0 0 0 15 16 2 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 16 30 1 0 0 0 0 17 31 1 0 0 0 0 19 20 1 0 0 0 0 19 32 2 0 0 0 0 M CHG 1 20 -1 M END