CHEMBRIDGE-ZINC04813916 MOE2007 3D CORINA 3.40 0006 02.08.2006 35 37 0 0 0 0 0 0 0 0999 V2000 -0.0150 1.3870 0.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0040 0.0000 0.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2050 -0.6730 0.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4040 0.0360 0.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4000 1.4340 0.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1570 2.1010 0.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6400 1.9620 0.0290 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6410 1.1490 0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0770 -0.5160 0.0060 S 0 0 0 0 0 0 0 0 0 0 0 0 6.3340 1.6370 -0.0200 S 0 0 0 0 0 0 0 0 0 0 0 0 7.1300 0.0120 -0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6270 0.1860 -0.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1080 1.3000 -0.0710 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4310 -0.8950 -0.0900 N 0 0 0 0 0 0 0 0 0 0 0 0 10.8180 -0.7350 -0.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4450 0.3520 0.3830 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8130 0.5080 0.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5600 -0.4170 -0.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9420 -1.5030 -1.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5710 -1.6700 -0.9130 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9630 -2.7410 -1.4890 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0250 -0.2440 -0.5630 N 0 3 0 0 0 0 0 0 0 0 0 0 15.5710 0.7120 -0.0430 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6840 -1.0580 -1.1840 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.9600 1.9090 0.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9240 -0.5530 0.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2180 -1.7520 0.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1280 3.1800 0.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8440 -0.5460 0.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8130 -0.5350 -0.9320 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0490 -1.7850 -0.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8640 1.0770 0.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3000 1.3550 0.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5280 -2.2240 -1.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6700 -2.5850 -2.3980 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 25 1 0 0 0 0 2 3 2 0 0 0 0 2 26 1 0 0 0 0 3 4 1 0 0 0 0 3 27 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 28 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 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 31 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 32 1 0 0 0 0 17 18 1 0 0 0 0 17 33 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 34 1 0 0 0 0 20 21 1 0 0 0 0 21 35 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 M CHG 1 22 1 M CHG 1 24 -1 M END