PUBCHEM-ZINC05160449 MOE2007 3D CORINA 3.40 0006 02.08.2006 32 31 0 0 1 0 0 0 0 0999 V2000 0.1130 1.3570 0.3590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5700 -0.0400 0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5560 -0.5380 0.5740 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2490 -0.6830 -0.8560 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0380 -2.0440 -1.3680 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5340 -2.6260 -0.6370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6090 -2.0770 -2.7590 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3730 -1.5880 -2.7720 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8690 -2.4770 -4.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3180 -2.1690 -4.6500 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7880 -3.0470 -5.8040 C 0 0 3 0 0 0 0 0 0 0 0 0 4.0510 -3.0960 -6.6130 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1490 -2.6170 -6.4080 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9320 -3.6340 -6.3790 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3910 -2.7470 -1.6660 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3590 -1.9530 -1.8660 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9730 1.9600 0.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3490 1.8280 -0.5140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6130 1.3190 1.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1050 -0.2480 -1.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5550 -3.0890 -3.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0820 -1.4080 -3.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7390 -3.5480 -4.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2060 -2.1860 -5.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3980 -1.1120 -4.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9810 -2.3110 -3.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2820 -1.4460 -6.8200 O 0 5 0 0 0 0 0 0 0 0 0 0 4.9840 -4.4750 -5.3240 N 0 3 0 0 0 0 0 0 0 0 0 0 4.3890 -5.1690 -5.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0270 -4.5960 -4.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9830 -4.6190 -5.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3510 -4.0090 -1.7000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 17 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 4 20 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 15 1 0 0 0 0 7 8 1 0 0 0 0 7 21 1 0 0 0 0 7 22 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 10 11 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 28 1 0 0 0 0 13 14 2 0 0 0 0 13 27 1 0 0 0 0 15 16 2 0 0 0 0 15 32 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 28 31 1 0 0 0 0 M CHG 1 27 -1 M CHG 1 28 1 M CHG 1 32 -1 M END