CHEMBRIDGE-ZINC04598739 MOE2007 3D CORINA 3.40 0006 02.08.2006 38 39 0 0 0 0 0 0 0 0999 V2000 2.1330 1.4000 0.7450 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1450 0.0190 0.7410 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2060 -0.6810 0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2530 0.0000 -0.7290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2350 1.3810 -0.7300 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1770 2.0860 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1620 3.4850 0.0090 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3180 4.1720 0.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3770 3.5800 0.0910 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2950 5.6740 0.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7280 6.2000 0.3160 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7060 7.7020 0.4370 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6470 8.2930 0.4500 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8620 8.3880 0.5310 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9840 9.8480 0.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4900 10.1790 0.7050 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1410 8.9380 0.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2130 7.7990 0.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2230 -2.1610 0.0030 N 0 3 0 0 0 0 0 0 0 0 0 0 2.0620 -2.7610 0.6500 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3960 -2.7780 -0.6440 O 0 5 0 0 0 0 0 0 0 0 0 0 2.8640 1.9450 1.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8890 -0.5160 1.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4790 -0.5490 -1.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5100 1.9120 -1.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3190 3.9610 -0.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8050 6.1010 -0.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7460 5.9570 1.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2180 5.7720 1.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2770 5.9160 -0.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5270 10.3320 -0.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4990 10.1850 1.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7060 11.0820 0.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8270 10.2850 1.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1180 9.0200 -1.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1610 8.7930 0.3970 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4900 7.4920 1.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2580 6.9490 -0.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 22 1 0 0 0 0 2 3 2 0 0 0 0 2 23 1 0 0 0 0 3 4 1 0 0 0 0 3 19 1 0 0 0 0 4 5 2 0 0 0 0 4 24 1 0 0 0 0 5 6 1 0 0 0 0 5 25 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 26 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 12 1 0 0 0 0 11 29 1 0 0 0 0 11 30 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 18 1 0 0 0 0 15 16 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 16 17 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 17 18 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 M CHG 1 19 1 M CHG 1 21 -1 M END