PUBCHEM-ZINC06020917 MOE2007 3D CORINA 3.40 0006 02.08.2006 29 28 0 0 1 0 0 0 0 0999 V2000 -0.0570 1.6150 -0.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0600 0.1280 0.0830 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5070 -0.0340 1.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4680 -0.4530 0.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3040 0.1520 1.7470 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.9120 -0.7090 1.5460 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8560 -0.4890 2.7380 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.0610 0.5770 2.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1520 -1.2060 2.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2450 -2.4240 2.6180 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3230 -1.0670 3.9830 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2490 -2.0800 3.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9950 -0.3440 5.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1950 0.8570 5.2650 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3990 -1.1960 6.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7100 -0.5660 -1.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0110 -1.1320 -1.9430 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9620 1.9860 -0.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6220 1.8110 -1.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4990 2.2150 0.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0910 -0.1880 -0.6310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4200 -1.5450 0.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3680 -0.3430 0.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7010 -1.7780 1.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7710 -1.9860 5.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7800 -0.5750 6.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2040 -1.6490 6.7770 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9650 -0.4950 1.6170 O 0 5 0 0 0 0 0 0 0 0 0 0 1.9710 -0.4830 -0.9730 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 16 1 0 0 0 0 4 5 1 0 0 0 0 4 21 1 0 0 0 0 4 22 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 23 1 0 0 0 0 6 24 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 9 10 2 0 0 0 0 9 28 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 25 1 0 0 0 0 15 26 1 0 0 0 0 15 27 1 0 0 0 0 16 17 2 0 0 0 0 16 29 1 0 0 0 0 M CHG 1 28 -1 M CHG 1 29 -1 M END