PUBCHEM-ZINC06292550 MOE2007 3D CORINA 3.40 0006 02.08.2006 27 27 0 0 1 0 0 0 0 0999 V2000 0.0420 1.5020 -0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0120 -0.0280 0.0090 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6280 -0.4210 -0.8100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4220 -0.5800 -0.0890 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.8730 -0.3220 -1.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3680 -2.1040 0.0860 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.7550 -2.5180 -0.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7150 -2.4340 1.4280 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.6930 -3.5090 1.6290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6950 -1.8250 1.4550 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3500 -2.2970 0.7140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6560 -0.4150 1.2430 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2260 -2.0510 2.7570 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4800 -1.8310 2.5030 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8710 -1.8670 3.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6830 -2.6460 0.0270 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9090 -4.0180 -0.8320 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.2760 -4.4130 -0.5100 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7030 -3.5880 -2.2130 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2440 0.0230 0.9230 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1810 -0.5700 1.7130 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4020 1.9410 0.0380 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7800 1.4410 0.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3950 1.8850 -0.9610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4810 1.9430 0.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1570 -1.7760 2.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8770 -4.9200 -0.3230 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 12 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 20 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 16 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 14 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 13 26 1 0 0 0 0 14 15 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 2 0 0 0 0 17 27 1 0 0 0 0 20 21 1 0 0 0 0 22 23 1 0 0 0 0 M CHG 1 27 -1 M END