PUBCHEM-ZINC05621402 MOE2007 3D CORINA 3.40 0006 02.08.2006 28 28 0 0 1 0 0 0 0 0999 V2000 -0.0160 1.3430 0.0090 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 1.0770 -0.8130 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5400 -0.2970 0.0030 S 0 0 0 0 0 0 0 0 0 0 0 0 2.3510 1.3540 0.6100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2340 2.1830 0.0020 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5800 2.5470 -1.3740 N 0 3 0 0 0 0 0 0 0 0 0 0 1.6360 3.7200 -1.6980 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8100 1.6770 -2.1950 O 0 5 0 0 0 0 0 0 0 0 0 0 3.0750 1.7990 1.4680 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3420 -0.6860 -0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7390 -1.0210 -1.4420 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.7090 -0.1150 -2.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1340 -1.5910 -1.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3260 -2.7050 -1.8840 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8020 -2.0060 -1.9900 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6140 -2.0880 -3.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2200 -1.3460 -4.0670 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9730 1.8440 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9130 -1.8800 -0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0860 -0.9440 1.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0780 3.0840 0.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2850 -1.6040 0.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0880 -0.0220 0.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3180 -2.5980 -1.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0760 -2.8130 -3.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1620 -0.8610 -1.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0390 -1.2690 -1.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 1 19 1 0 0 0 0 2 3 1 0 0 0 0 2 11 1 0 0 0 0 3 4 2 0 0 0 0 3 20 1 0 0 0 0 4 5 1 0 0 0 0 4 21 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 1 0 0 0 0 6 22 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 11 12 1 0 0 0 0 11 23 1 0 0 0 0 11 24 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 16 1 0 0 0 0 14 15 2 0 0 0 0 14 27 1 0 0 0 0 16 17 1 0 0 0 0 16 25 1 0 0 0 0 17 18 2 0 0 0 0 17 26 1 0 0 0 0 27 28 1 0 0 0 0 M CHG 1 7 1 M CHG 1 9 -1 M END