PUBCHEM-ZINC05419887 MOE2007 3D CORINA 3.40 0006 02.08.2006 23 22 0 0 1 0 0 0 0 0999 V2000 -0.0500 1.5640 -0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0620 0.0950 0.2990 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1690 -0.3580 0.6010 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1080 -0.6790 0.2490 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9270 -2.1650 0.3130 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9050 -2.6480 0.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3500 -2.6730 1.6450 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1370 -2.7240 -0.9030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4010 -2.1590 -2.0060 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3800 -0.1110 0.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6650 1.0260 0.5120 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4750 -0.9710 -0.4570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9460 1.9540 -0.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6770 1.7230 -0.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4390 2.1150 0.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3130 -3.7680 1.6530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6700 -2.3260 1.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1110 -1.5480 -1.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8800 -1.6340 0.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2820 -0.3250 -0.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6280 -3.7010 -0.6730 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.3730 -2.1850 3.0790 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.5820 -2.7320 4.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 13 1 0 0 0 0 1 14 1 0 0 0 0 1 15 1 0 0 0 0 2 3 2 0 0 0 0 2 4 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 7 16 1 0 0 0 0 7 17 1 0 0 0 0 7 22 1 0 0 0 0 8 9 2 0 0 0 0 8 21 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 18 1 0 0 0 0 12 19 1 0 0 0 0 12 20 1 0 0 0 0 22 23 1 0 0 0 0 M CHG 1 21 -1 M END