CHEMBRIDGE-ZINC02980852 MOE2007 3D CORINA 3.40 0006 02.08.2006 33 34 0 0 0 0 0 0 0 0999 V2000 -0.0160 1.4240 0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0030 -0.0050 0.0290 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1980 -0.6380 0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3720 0.1060 0.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5930 -0.5320 0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6500 -1.9290 0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4670 -2.6730 0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2500 -2.0270 0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3520 -3.0320 -0.0090 Br 0 0 0 0 0 0 0 0 0 0 0 0 -4.9560 -2.6150 0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9830 -1.9660 0.0560 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0090 -3.9620 0.0340 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.2020 -4.5890 0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6490 -3.6760 0.0550 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.2550 -5.9360 0.0280 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.4820 -6.5860 0.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5220 -7.9720 0.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7470 -8.6050 0.3510 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8960 -7.8250 0.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7830 -6.4520 0.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6000 -5.8770 0.1620 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.4590 -8.5690 0.5020 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0070 1.8010 0.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5410 1.7860 -0.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7740 0.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3270 1.1840 0.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5040 0.0460 0.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5070 -3.7520 0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1880 -4.4800 0.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4380 -6.4530 -0.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6080 -8.5480 0.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8080 -9.6810 0.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6740 -5.8410 0.2710 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 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 26 1 0 0 0 0 5 6 1 0 0 0 0 5 27 1 0 0 0 0 6 7 2 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 28 1 0 0 0 0 8 9 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 29 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 30 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 31 1 0 0 0 0 18 19 1 0 0 0 0 18 32 1 0 0 0 0 19 20 2 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 33 1 0 0 0 0 M END