PUBCHEM-ZINC05178758 MOE2007 3D CORINA 3.40 0006 02.08.2006 22 21 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 1.4170 2.0550 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.9540 1.6330 -0.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3970 3.5580 -0.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0780 4.1090 -0.9480 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2470 1.5790 1.5360 S 0 0 0 0 0 0 0 0 0 0 0 0 3.8740 2.1660 1.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1340 2.7510 0.0620 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8700 2.0070 2.1340 N 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 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 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 -1.3890 -1.5210 0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0300 3.0740 -0.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6770 1.5720 2.9790 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7660 2.3300 1.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3760 -0.5120 0.0120 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8900 -0.1480 0.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6230 4.2840 0.7060 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6440 5.2440 0.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 2 13 1 0 0 0 0 2 14 1 0 0 0 0 2 19 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 7 1 0 0 0 0 5 6 2 0 0 0 0 5 21 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 9 16 1 0 0 0 0 10 17 1 0 0 0 0 10 18 1 0 0 0 0 15 19 1 0 0 0 0 19 20 1 0 0 0 0 21 22 1 0 0 0 0 M END