CHEMBRIDGE-ZINC00102119 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 41 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.5030 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 0.0220 -0.6830 1.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -2.1530 1.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0610 -2.8170 2.2880 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0630 -2.2160 3.3470 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0830 -2.9590 4.4720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0990 -4.1720 4.3990 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0870 -2.2990 5.7930 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0690 -0.9050 5.8800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0720 -0.2950 7.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0940 -1.0600 8.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1120 -2.4420 8.1910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1020 -3.0650 6.9600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1350 -3.2520 9.4290 N 0 3 0 0 0 0 0 0 0 0 0 0 0.1380 -2.7030 10.5160 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1510 -4.4680 9.3610 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0390 -2.8760 -0.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0190 -2.1900 -1.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.7280 -1.2690 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0290 -0.1100 -2.3200 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 -4.3830 -0.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3220 -4.8830 0.5660 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1760 -4.9170 0.5900 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 -0.1480 2.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0530 -0.3060 4.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 0.7830 7.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0970 -0.5780 9.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1110 -4.1430 6.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0170 -2.7200 -2.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0540 -4.7360 -1.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2020 -4.5020 0.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3280 -4.5300 1.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3370 -5.9730 0.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0760 -4.5610 0.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1610 -6.0070 0.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1700 -4.5640 1.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 2 0 0 0 0 2 20 1 0 0 0 0 3 4 1 0 0 0 0 3 28 1 0 0 0 0 4 5 2 0 0 0 0 4 18 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 29 1 0 0 0 0 11 12 1 0 0 0 0 11 30 1 0 0 0 0 12 13 2 0 0 0 0 12 31 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 14 32 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 18 19 2 0 0 0 0 18 22 1 0 0 0 0 19 20 1 0 0 0 0 19 33 1 0 0 0 0 20 21 2 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 34 1 0 0 0 0 23 35 1 0 0 0 0 23 36 1 0 0 0 0 23 37 1 0 0 0 0 24 38 1 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 M CHG 1 15 1 M CHG 1 17 -1 M END