PUBCHEM-ZINC04506322 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 42 0 0 0 0 0 0 0 0999 V2000 -0.3130 1.6320 -0.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3050 0.1030 -0.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3060 -0.3690 -1.4740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5260 -0.4340 1.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1310 -0.0950 2.2780 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1910 -0.9570 2.8070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5740 -2.1530 3.4850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6320 -2.2730 3.5230 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3620 -3.0890 4.0500 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7930 -4.1920 4.6760 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4580 -5.1460 5.2480 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7550 -6.1200 5.7950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5670 -5.9820 5.6800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8860 -4.4910 4.7960 S 0 0 0 0 0 0 0 0 0 0 0 0 0.2390 1.0100 2.9550 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0960 1.7430 2.5000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3960 1.3310 4.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3980 2.6450 4.7230 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9920 2.9380 5.9330 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5870 1.9330 6.6770 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5880 0.6280 6.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0020 0.3230 5.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4000 2.3430 8.3340 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 2.0000 -0.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8110 2.0170 -1.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8460 1.9690 0.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3270 -0.2680 -0.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3280 0.0020 -1.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3120 -1.4590 -1.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2860 0.0130 -2.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6140 -1.5170 0.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5200 0.0140 0.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7880 -0.3980 3.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8290 -1.2920 1.9890 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3270 -2.9920 4.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2130 -6.9600 6.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3120 -6.6660 6.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0660 3.4290 4.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9940 3.9530 6.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0530 -0.1520 6.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0080 -0.6940 4.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 27 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 15 1 0 0 0 0 6 7 1 0 0 0 0 6 33 1 0 0 0 0 6 34 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 35 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 36 1 0 0 0 0 13 14 1 0 0 0 0 13 37 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 40 1 0 0 0 0 22 41 1 0 0 0 0 M END