PUBCHEM-ZINC05113967 MOE2007 3D CORINA 3.40 0006 02.08.2006 31 30 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6900 -0.4780 -1.2070 N 0 5 0 0 0 0 0 0 0 0 0 0 0.7290 -1.9460 -1.2490 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2610 -2.3200 -0.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4510 -2.4000 -2.5190 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1860 -1.8760 -2.4480 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.6780 -2.4860 -1.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6170 -1.7260 -1.2190 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7450 3.4670 1.2610 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1720 3.8680 0.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8700 3.9330 2.7130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6250 3.4660 3.6290 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.9300 3.9610 0.4720 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6670 3.1710 -0.0700 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4020 -3.4860 -2.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9710 -1.9530 -3.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9890 5.0160 2.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7390 3.4610 3.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8880 -3.8110 -1.2860 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7060 2.0000 1.2190 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6350 1.6110 1.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1680 5.2780 0.3710 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9400 5.5470 -0.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8080 -4.1100 -1.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3790 3.9300 4.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6880 -2.3350 -3.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 18 1 0 0 0 0 2 19 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 0 0 0 0 6 7 1 0 0 0 0 6 20 1 0 0 0 0 6 21 1 0 0 0 0 7 31 1 0 0 0 0 8 9 2 0 0 0 0 8 24 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 14 1 0 0 0 0 10 25 1 0 0 0 0 12 13 1 0 0 0 0 12 22 1 0 0 0 0 12 23 1 0 0 0 0 13 30 1 0 0 0 0 14 15 2 0 0 0 0 14 27 1 0 0 0 0 24 29 1 0 0 0 0 25 26 1 0 0 0 0 27 28 1 0 0 0 0 M CHG 1 3 -1 M END