PUBCHEM-ZINC01148064 MOE2007 3D CORINA 3.40 0006 02.08.2006 37 38 0 0 0 0 0 0 0 0999 V2000 0.0320 1.4820 -0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0430 -0.0250 -0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0620 -0.7180 1.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0720 -2.1000 1.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0620 -2.7900 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -2.0970 -1.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0280 -0.7150 -1.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0760 -4.5520 -0.0380 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6070 -4.9470 -1.2960 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6390 -4.9500 1.2040 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5020 -5.0540 -0.0190 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3770 -4.7640 -1.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6150 -5.6200 -1.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7520 -6.3960 -0.1480 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5690 -5.5230 -2.0170 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.6620 -6.3970 -2.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5510 -7.6400 -1.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6310 -8.5000 -1.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8230 -8.1260 -1.9700 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9380 -6.8900 -2.5790 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8630 -6.0210 -2.5900 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0230 -4.3270 -3.4150 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.0570 1.8520 -0.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4950 1.8420 -0.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4740 1.8400 0.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0700 -0.1790 2.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0880 -2.6420 2.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0340 -2.6360 -2.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0080 -0.1740 -2.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8470 -5.5410 0.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6610 -3.7120 -1.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8500 -4.9820 -2.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4980 -4.8480 -2.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6200 -7.9340 -0.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5440 -9.4670 -0.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6660 -8.8010 -1.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8700 -6.6000 -3.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 26 1 0 0 0 0 4 5 1 0 0 0 0 4 27 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 28 1 0 0 0 0 7 29 1 0 0 0 0 8 9 2 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 11 30 1 0 0 0 0 12 13 1 0 0 0 0 12 31 1 0 0 0 0 12 32 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 33 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 34 1 0 0 0 0 18 19 1 0 0 0 0 18 35 1 0 0 0 0 19 20 2 0 0 0 0 19 36 1 0 0 0 0 20 21 1 0 0 0 0 20 37 1 0 0 0 0 21 22 1 0 0 0 0 M END