PUBCHEM-ZINC05851296 MOE2007 3D CORINA 3.40 0006 02.08.2006 20 20 0 0 1 0 0 0 0 0999 V2000 -0.0760 1.4170 0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0380 -0.1050 0.0360 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.6250 -0.5080 0.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3380 -0.5110 0.2330 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3140 0.4000 -0.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5170 0.2180 0.0250 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5760 1.9140 -0.5410 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.6220 -0.6760 -1.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0690 -1.1520 -2.1620 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9940 -0.5860 -1.3250 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8010 -1.0380 -2.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3070 -0.7980 -2.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5640 -0.2510 -1.0960 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8560 1.8490 -0.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1990 1.7960 1.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6000 -1.4400 0.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5700 -0.1960 -0.5770 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4740 -0.4910 -3.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6090 -2.1050 -2.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0800 -1.1710 -3.1380 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 7 1 0 0 0 0 1 14 1 0 0 0 0 1 15 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 0 0 0 0 4 5 1 0 0 0 0 4 16 1 0 0 0 0 5 6 2 0 0 0 0 5 7 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 17 1 0 0 0 0 11 12 1 0 0 0 0 11 18 1 0 0 0 0 11 19 1 0 0 0 0 12 13 2 0 0 0 0 12 20 1 0 0 0 0 M CHG 1 20 -1 M END