PUBCHEM-ZINC03749150 MOE2007 3D CORINA 3.40 0006 02.08.2006 27 29 0 0 0 0 0 0 0 0999 V2000 -0.2700 1.5560 -0.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0610 0.0680 -0.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0080 -0.6440 1.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2050 -2.0340 1.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3350 -2.7180 -0.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2720 -2.0280 -1.3040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0740 -0.6450 -1.3170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0050 0.2150 -3.0100 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.2700 -2.7560 2.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6810 -2.6920 3.3450 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3350 -3.7040 4.7570 S 0 0 0 0 0 0 0 0 0 0 0 0 1.1370 -4.2090 3.9890 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2910 -3.6140 2.7710 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4720 -4.0600 2.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9660 -4.9380 3.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1050 -5.0190 4.3140 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 -5.6760 3.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9100 -5.4690 2.0200 O 0 5 0 0 0 0 0 0 0 0 0 0 0.5790 2.0730 -0.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1940 1.8260 -0.6010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3580 1.9250 0.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0830 -0.1000 2.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4800 -3.7970 -0.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3780 -2.5840 -2.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5920 -2.1090 3.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 -3.7480 1.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5700 -6.4680 4.0170 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 1 21 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 22 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 5 6 2 0 0 0 0 5 23 1 0 0 0 0 6 7 1 0 0 0 0 6 24 1 0 0 0 0 7 8 1 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 10 25 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 16 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 26 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 27 2 0 0 0 0 M CHG 1 18 -1 M END