PUBCHEM-ZINC05131738 MOE2007 3D CORINA 3.40 0006 02.08.2006 25 24 0 0 1 0 0 0 0 0999 V2000 0.0810 1.3120 -0.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3460 -0.1140 0.1680 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0130 -0.3730 1.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9140 -0.1840 0.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3850 -1.2500 -0.3330 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8890 1.6000 -0.1080 S 0 0 0 0 0 0 0 0 0 0 0 0 2.5520 1.0930 -1.9860 S 0 0 0 0 0 0 0 0 0 0 0 0 2.1830 2.7460 -3.1500 S 0 0 0 0 0 0 0 0 0 0 0 0 3.6000 3.8530 -2.7940 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8150 3.6300 -3.6970 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5450 3.7640 -4.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8970 4.7170 -3.3650 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0890 4.2720 -3.3520 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3010 1.6110 -1.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3500 2.0170 0.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2110 4.8660 -2.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8680 3.7880 -1.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5180 0.7970 0.6900 O 0 5 0 0 0 0 0 0 0 0 0 0 0.1380 -1.1700 -0.7660 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1730 -0.7750 -1.7070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6660 -1.8290 -0.8100 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4730 5.8900 -3.1700 O 0 5 0 0 0 0 0 0 0 0 0 0 5.4700 2.2980 -3.5520 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3840 2.0030 -2.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4810 2.5240 -3.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 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 19 1 0 0 0 0 4 5 2 0 0 0 0 4 18 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 16 1 0 0 0 0 9 17 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 23 1 0 0 0 0 12 13 2 0 0 0 0 12 22 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 M CHG 1 18 -1 M CHG 1 22 -1 M END