PUBCHEM-ZINC05187721 MOE2007 3D CORINA 3.40 0006 02.08.2006 24 25 0 0 1 0 0 0 0 0999 V2000 0.0730 1.5610 0.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0040 0.0520 -0.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0430 -0.7250 -0.4240 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2380 -0.1600 -0.7490 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4210 1.2410 -1.0550 C 0 0 3 0 0 0 0 0 0 0 0 0 2.0150 1.5120 -2.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7650 2.2170 0.3220 S 0 0 0 0 0 0 0 0 0 0 0 0 3.9520 0.9570 -1.0110 C 0 0 3 0 0 0 0 0 0 0 0 0 4.4990 1.3050 -0.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5190 -0.5510 -0.9150 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0780 -1.6230 -0.9110 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8950 -2.2760 -0.4160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8840 -2.8140 -1.5610 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.3570 -0.5220 0.2930 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3680 0.2540 -0.3460 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3890 2.0530 -0.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4800 1.8630 1.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4900 -1.5550 -0.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5210 -0.4750 1.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2030 -0.2270 -0.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5810 1.3350 -2.2920 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6250 2.3400 -2.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1580 0.9140 -3.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7420 -2.7910 0.7300 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 7 1 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 2 3 2 0 0 0 0 2 14 1 0 0 0 0 3 4 1 0 0 0 0 3 12 1 0 0 0 0 4 5 1 0 0 0 0 4 10 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 21 1 0 0 0 0 10 11 2 0 0 0 0 12 13 1 0 0 0 0 12 24 2 0 0 0 0 14 15 1 0 0 0 0 14 18 1 0 0 0 0 14 19 1 0 0 0 0 15 20 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 M CHG 1 13 -1 M END