CHEMBRIDGE-ZINC02860019 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 39 0 0 1 0 0 0 0 0999 V2000 -0.0180 1.4480 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5980 -0.6000 -1.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0880 0.0700 -1.9210 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6580 -2.1040 -1.1200 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.3550 -2.5070 -1.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4120 -2.6470 0.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3640 -4.1760 0.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2580 -4.8210 1.5240 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0940 -6.6180 1.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3540 -2.5030 -2.3450 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6750 -2.5990 -3.5050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5160 -2.3550 -3.5350 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3780 -3.0020 -4.7420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6770 -3.1030 -5.9450 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3390 -3.4790 -7.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6940 -3.7560 -7.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3940 -3.6580 -5.8690 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7450 -3.2780 -4.7130 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8440 -3.9570 -5.8390 N 0 3 0 0 0 0 0 0 0 0 0 0 5.4180 -4.2880 -6.8600 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4610 -3.8710 -4.7930 O 0 5 0 0 0 0 0 0 0 0 0 0 0.5980 -3.5860 -8.3720 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.5950 -3.3430 -8.4060 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1810 -3.9180 -9.3890 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0050 1.8250 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5450 1.8090 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7990 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4490 -2.3150 0.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9450 -2.2770 1.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3270 -4.5080 0.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8310 -4.5470 -0.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5420 -6.9270 0.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6020 -7.1170 2.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0380 -6.8880 1.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3040 -2.6980 -2.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3810 -2.8870 -5.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2070 -4.0510 -7.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2940 -3.1970 -3.7860 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 11 1 0 0 0 0 7 8 1 0 0 0 0 7 29 1 0 0 0 0 7 30 1 0 0 0 0 8 9 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 9 10 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 12 1 0 0 0 0 11 36 1 0 0 0 0 12 13 2 0 0 0 0 12 14 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 37 1 0 0 0 0 16 17 1 0 0 0 0 16 23 1 0 0 0 0 17 18 2 0 0 0 0 17 38 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 19 39 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 M CHG 1 20 1 M CHG 1 22 -1 M CHG 1 23 1 M CHG 1 25 -1 M END