PUBCHEM-ZINC05138704 MOE2007 3D CORINA 3.40 0006 02.08.2006 23 23 0 0 1 0 0 0 0 0999 V2000 -1.1720 0.9460 0.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1720 0.3250 -0.0010 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8390 1.1270 -0.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7750 -0.4340 1.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0450 -0.9780 2.0190 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1590 -0.4810 1.2720 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0950 0.0680 0.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7250 -0.6270 0.6650 S 0 0 0 0 0 0 0 0 0 0 0 0 4.1330 -1.6700 2.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8110 -1.0580 2.4620 C 0 0 3 0 0 0 0 0 0 0 0 0 2.1640 -1.8380 2.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0830 -0.0580 3.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8390 1.1600 3.3810 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0720 -0.8430 -1.3870 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.0510 1.6250 1.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5860 1.5290 -0.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9120 0.1910 0.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7960 -0.1800 -0.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1200 1.1560 0.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9710 -2.6750 1.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8890 -1.7370 2.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5690 0.0510 -2.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5260 -0.5900 4.6810 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 15 1 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 14 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 18 1 0 0 0 0 7 19 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 20 1 0 0 0 0 9 21 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 12 23 1 0 0 0 0 14 22 1 0 0 0 0 M CHG 1 23 -1 M END