CHEMBRIDGE-ZINC02087514 MOE2007 3D CORINA 3.40 0006 02.08.2006 35 35 0 0 0 0 0 0 0 0999 V2000 0.0070 1.0420 0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2410 -0.3940 -0.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0860 -1.0630 0.5600 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4740 -1.6400 1.6310 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7370 -1.6040 1.8350 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4050 -2.2900 2.5650 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8320 -2.5520 2.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3840 -3.1140 3.5510 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1850 -3.4080 4.7370 S 0 0 0 0 0 0 0 0 0 0 0 0 0.9530 -2.7510 3.7930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3620 -2.6880 4.2360 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8670 -3.1140 5.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2580 -3.6350 6.3750 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3290 -2.8590 5.5290 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0350 -3.1800 6.6190 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5370 -2.9100 6.6900 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0600 -2.3730 5.6730 O 0 5 0 0 0 0 0 0 0 0 0 0 4.7830 -3.4420 3.8250 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7300 -3.1050 3.1170 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0390 -4.1760 4.9570 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6060 -2.2450 1.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9600 1.5630 0.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5890 1.5780 -0.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5150 1.0820 1.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7040 -0.9310 -0.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7650 -0.4100 -1.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0050 -2.2720 3.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8230 -2.4010 4.6780 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5630 -3.6400 7.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3040 -4.4820 5.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9970 -4.4170 5.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8550 -1.1800 1.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5320 -2.8200 1.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0290 -2.5110 0.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0700 -3.2660 7.7780 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 25 1 0 0 0 0 2 26 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 10 2 0 0 0 0 7 8 2 0 0 0 0 7 21 1 0 0 0 0 8 9 1 0 0 0 0 8 18 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 27 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 2 0 0 0 0 14 28 1 0 0 0 0 15 16 1 0 0 0 0 15 29 1 0 0 0 0 16 17 1 0 0 0 0 16 35 2 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 30 1 0 0 0 0 20 31 1 0 0 0 0 21 32 1 0 0 0 0 21 33 1 0 0 0 0 21 34 1 0 0 0 0 M CHG 1 17 -1 M END