PUBCHEM-ZINC05187736 MOE2007 3D CORINA 3.40 0006 02.08.2006 24 25 0 0 1 0 0 0 0 0999 V2000 -0.0530 1.4750 -0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0410 -0.0360 0.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1910 -0.7040 0.3870 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3430 -0.0230 0.6330 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4130 1.3900 0.9440 C 0 0 3 0 0 0 0 0 0 0 0 0 2.0800 1.6100 1.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5360 2.3060 -0.3510 S 0 0 0 0 0 0 0 0 0 0 0 0 3.9520 1.2600 0.7430 C 0 0 3 0 0 0 0 0 0 0 0 0 4.3770 1.6380 -0.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6650 -0.2820 0.7030 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3370 -1.2860 0.6580 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2050 -2.2610 0.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3090 -2.8310 1.4590 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.2660 -0.7460 -0.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3080 -0.0950 0.5730 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7170 1.7390 -0.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4800 1.8960 0.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5070 -0.6990 -1.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2640 -1.7930 0.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1000 -0.6510 0.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6570 1.7200 1.9530 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8310 2.7250 1.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5690 1.2770 2.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0460 -2.7560 -0.8200 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