PUBCHEM-ZINC05567169 MOE2007 3D CORINA 3.40 0006 02.08.2006 25 25 0 0 0 0 0 0 0 0999 V2000 -0.0320 0.9090 1.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0320 -0.2720 0.3050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2820 -0.5510 -0.2430 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1170 0.4280 0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4810 1.7030 0.9880 S 0 0 0 0 0 0 0 0 0 0 0 0 3.4400 0.5690 -0.3450 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9490 1.3910 -0.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0740 -0.3670 -1.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4460 -1.4840 -1.5200 N 0 3 0 0 0 0 0 0 0 0 0 0 2.4610 -1.6100 -1.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9020 -2.1960 -2.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3730 -0.1840 -1.4340 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8730 -0.8690 -1.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8940 0.6350 -1.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1050 -1.2180 0.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8620 -0.8900 -1.5360 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.2800 -1.8990 -1.4460 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6740 -2.3940 -0.3270 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5270 -2.9370 -0.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9060 -2.0840 -2.6280 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8820 1.3380 1.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7430 -2.2510 0.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8410 -1.0890 0.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5240 -1.6580 -3.4630 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7490 -2.6330 -2.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 5 1 0 0 0 0 1 21 1 0 0 0 0 2 3 1 0 0 0 0 2 15 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 2 0 0 0 0 8 12 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 15 16 1 0 0 0 0 15 22 1 0 0 0 0 15 23 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 20 24 1 0 0 0 0 20 25 1 0 0 0 0 M CHG 1 9 1 M END