PUBCHEM-ZINC06184883 MOE2007 3D CORINA 3.40 0006 02.08.2006 20 19 0 0 1 0 0 0 0 0999 V2000 0.0840 1.6150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0110 0.1260 0.3150 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8170 -0.4150 -0.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3250 -0.5470 -0.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4420 -1.7750 0.1030 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7660 2.2210 0.1040 S 0 0 0 0 0 0 0 0 0 0 0 0 2.2400 1.9590 1.4520 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4750 1.6880 -1.0450 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5320 3.9660 -0.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8610 4.6780 -0.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4180 4.8490 -1.1890 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2460 1.8330 -1.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5260 2.2070 0.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0320 4.1260 -1.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8780 4.3190 0.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1050 0.1870 -0.8740 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0610 -0.1030 1.7820 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0030 0.1380 2.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0730 -1.1090 1.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2200 5.0990 1.0670 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 1 12 1 0 0 0 0 1 13 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 17 1 0 0 0 0 4 5 2 0 0 0 0 4 16 1 0 0 0 0 6 7 2 0 0 0 0 6 8 2 0 0 0 0 6 9 1 0 0 0 0 9 10 1 0 0 0 0 9 14 1 0 0 0 0 9 15 1 0 0 0 0 10 11 2 0 0 0 0 10 20 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 M CHG 1 16 -1 M CHG 1 20 -1 M END