PUBCHEM-ZINC05357469 MOE2007 3D CORINA 3.40 0006 02.08.2006 31 30 0 0 1 0 0 0 0 0999 V2000 -0.4960 2.1840 -0.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2070 0.8400 0.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6820 0.8550 1.6820 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7330 -0.3590 -0.1060 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0990 -0.2930 -1.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9840 -0.3710 0.8470 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8600 -1.1690 1.8260 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6230 0.7980 -1.0220 S 0 0 0 0 0 0 0 0 0 0 0 0 3.3620 0.4090 0.0010 S 0 0 0 0 0 0 0 0 0 0 0 0 3.4170 -1.4140 0.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2570 -2.2070 -1.0700 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7450 -1.7390 -1.9320 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8420 -3.6330 -0.8920 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9190 -4.4920 -1.1180 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1950 3.0310 0.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9330 2.2110 -1.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3070 2.3720 0.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1610 0.9990 2.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1710 -0.0780 1.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3720 1.6850 1.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3940 -1.6140 0.6710 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6760 -1.7060 0.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9470 0.3670 0.5050 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.0760 -1.7250 0.0420 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8440 -2.3860 -0.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1050 -1.8480 1.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0540 -3.7510 -0.5980 O 0 5 0 0 0 0 0 0 0 0 0 0 1.7990 -2.3760 -1.4310 N 0 3 0 0 0 0 0 0 0 0 0 0 1.5470 -2.0230 -2.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0720 -2.0230 -0.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7220 -3.4320 -1.4310 H 0 0 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 8 1 0 0 0 0 3 18 1 0 0 0 0 3 19 1 0 0 0 0 3 20 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 24 1 0 0 0 0 6 7 2 0 0 0 0 6 23 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 21 1 0 0 0 0 10 22 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 24 25 1 0 0 0 0 24 26 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 23 -1 M CHG 1 27 -1 M CHG 1 28 1 M END