PUBCHEM-ZINC06596543 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 37 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7420 -0.5110 1.2420 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2850 -0.0870 2.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6570 -2.0140 1.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1010 -2.6760 2.1000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0360 -4.0060 1.9960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8300 -4.4360 1.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5470 -3.0770 0.3010 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.8310 -4.9190 2.8340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7270 -6.1220 2.6910 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6760 -4.4210 3.7590 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4670 -5.3290 4.5920 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3230 -4.5260 5.5380 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5950 -4.1380 5.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3800 -3.4010 6.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8950 -3.0520 7.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6230 -3.4400 7.6510 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8390 -4.1830 6.7860 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9580 -2.9620 9.3560 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0330 -5.4680 0.8070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7590 -3.4610 3.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1060 -5.9430 3.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7990 -5.9720 5.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9740 -4.4100 4.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3740 -3.0980 5.7280 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5080 -2.4760 7.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8480 -4.4900 7.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6470 -0.3700 2.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1520 -0.1030 1.1710 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 -0.4830 0.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 2 3 1 0 0 0 0 2 24 1 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 35 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 26 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 27 1 0 0 0 0 13 14 1 0 0 0 0 13 28 1 0 0 0 0 13 29 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 30 1 0 0 0 0 16 17 1 0 0 0 0 16 31 1 0 0 0 0 17 18 2 0 0 0 0 17 32 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 19 33 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 M END