PUBCHEM-ZINC05134381 MOE2007 3D CORINA 3.40 0006 02.08.2006 22 22 0 0 1 0 0 0 0 0999 V2000 0.1590 1.1930 0.5750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1350 -0.2670 0.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4980 -0.4670 -1.5590 S 0 0 0 0 0 0 0 0 0 0 0 0 0.8760 0.2580 -2.5280 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3230 1.6600 -2.1020 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4840 2.3550 -1.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5160 1.8770 0.3810 C 0 0 3 0 0 0 0 0 0 0 0 0 2.1880 1.4870 1.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4810 3.4240 0.6350 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5660 4.0300 0.3800 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1620 2.2100 -3.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3640 2.5250 -3.0680 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6520 1.7610 0.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0620 1.2200 1.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1070 -0.7600 0.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5670 -0.8110 0.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7170 -0.4460 -2.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5230 0.2470 -3.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1930 1.5930 -0.9050 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9260 2.3180 -1.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4040 3.8910 1.1060 O 0 5 0 0 0 0 0 0 0 0 0 0 1.5300 2.2990 -4.4090 O 0 5 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 13 1 0 0 0 0 1 14 1 0 0 0 0 2 3 1 0 0 0 0 2 15 1 0 0 0 0 2 16 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 17 1 0 0 0 0 4 18 1 0 0 0 0 5 6 1 0 0 0 0 5 11 1 0 0 0 0 5 19 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 19 1 0 0 0 0 9 10 2 0 0 0 0 9 21 1 0 0 0 0 11 12 2 0 0 0 0 11 22 1 0 0 0 0 19 20 1 0 0 0 0 M CHG 1 21 -1 M CHG 1 22 -1 M END