PUBCHEM-ZINC03872192 MOE2007 3D CORINA 3.40 0006 02.08.2006 26 25 0 0 1 0 0 0 0 0999 V2000 -0.1120 1.8310 0.6080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4810 0.6240 -0.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8270 0.0350 0.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5350 0.4740 1.0180 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1490 -1.0480 -0.6580 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3690 -1.8250 -0.4760 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2830 -3.4830 -1.1690 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.6640 -3.2420 -2.4750 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4310 -4.2000 -0.2220 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2510 2.4030 0.2490 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3430 2.5990 -0.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6120 3.7040 1.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7730 3.5420 1.5360 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8800 2.6050 0.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1370 1.5570 1.6710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5140 0.9170 -1.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2690 -0.1680 -0.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5490 -1.3700 -1.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6230 -1.9020 0.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1700 -1.2930 -1.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6770 -3.9160 -1.2080 O 0 5 0 0 0 0 0 0 0 0 0 0 0.7970 4.6500 1.0150 O 0 5 0 0 0 0 0 0 0 0 0 0 2.3450 1.4090 0.5890 N 0 3 0 0 0 0 0 0 0 0 0 0 2.8260 1.0060 -0.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0760 0.7030 1.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0120 2.0760 1.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 10 1 0 0 0 0 1 14 1 0 0 0 0 1 15 1 0 0 0 0 2 3 1 0 0 0 0 2 16 1 0 0 0 0 2 17 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 18 1 0 0 0 0 6 7 1 0 0 0 0 6 19 1 0 0 0 0 6 20 1 0 0 0 0 7 8 2 0 0 0 0 7 9 2 0 0 0 0 7 21 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 23 1 0 0 0 0 12 13 2 0 0 0 0 12 22 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 26 1 0 0 0 0 M CHG 1 21 -1 M CHG 1 22 -1 M CHG 1 23 1 M END