CHEMBRIDGE-ZINC02931558 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 42 0 0 0 0 0 0 0 0999 V2000 2.3000 1.3390 -0.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3010 -0.0140 0.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1950 -0.6140 0.7820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0810 0.1470 1.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0690 1.5000 0.8690 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1810 2.1110 0.2770 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1740 3.5550 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0040 4.2230 -0.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2140 5.6710 -0.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7070 6.4670 -0.2120 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4800 6.0470 -0.2590 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4460 5.1220 -0.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1320 5.4040 -0.3070 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.6440 3.5460 -0.0960 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.8230 7.4670 -0.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6880 7.8780 0.8240 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0460 9.3610 0.7070 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8220 9.5980 -0.5900 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9570 9.1870 -1.7830 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5990 7.7040 -1.6670 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0940 -0.5000 1.7450 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.0700 0.1660 2.0400 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0840 -1.6980 1.9660 O 0 5 0 0 0 0 0 0 0 0 0 0 3.1620 1.8060 -0.5130 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1640 -0.6100 -0.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7970 2.0910 1.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1070 4.0850 -0.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9100 8.0620 -0.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6010 7.2840 0.8330 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1350 7.7100 1.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6610 9.6540 1.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1320 9.9560 0.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7350 9.0040 -0.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0770 10.6550 -0.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5100 9.3560 -2.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0440 9.7820 -1.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9840 7.4120 -2.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5130 7.1100 -1.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2010 -1.9490 1.0290 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5470 -2.1860 1.9000 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 24 1 0 0 0 0 2 3 2 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 3 39 1 0 0 0 0 4 5 2 0 0 0 0 4 21 1 0 0 0 0 5 6 1 0 0 0 0 5 26 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 27 1 0 0 0 0 8 9 1 0 0 0 0 8 14 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 15 28 1 0 0 0 0 16 17 1 0 0 0 0 16 29 1 0 0 0 0 16 30 1 0 0 0 0 17 18 1 0 0 0 0 17 31 1 0 0 0 0 17 32 1 0 0 0 0 18 19 1 0 0 0 0 18 33 1 0 0 0 0 18 34 1 0 0 0 0 19 20 1 0 0 0 0 19 35 1 0 0 0 0 19 36 1 0 0 0 0 20 37 1 0 0 0 0 20 38 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 39 40 1 0 0 0 0 M CHG 1 21 1 M CHG 1 23 -1 M END