PUBCHEM-ZINC05131698 MOE2007 3D CORINA 3.40 0006 02.08.2006 32 31 0 0 1 0 0 0 0 0999 V2000 -0.1440 1.0960 -0.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0630 -0.4200 -0.0030 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5060 -0.6270 0.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4900 -0.9490 0.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1130 -1.5700 -0.6470 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9990 -0.6190 1.4440 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3430 -0.9370 1.9210 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6490 -0.1720 3.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6740 0.5320 3.6460 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4820 1.9150 -0.0770 S 0 0 0 0 0 0 0 0 0 0 0 0 2.2970 1.7430 -1.9560 S 0 0 0 0 0 0 0 0 0 0 0 0 1.6360 3.2070 -2.8370 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3340 4.5020 -2.4440 C 0 0 3 0 0 0 0 0 0 0 0 0 3.4210 4.4540 -2.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7720 5.6610 -3.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3790 6.5930 -2.5140 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5930 1.3290 -1.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7910 1.5660 0.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4680 -0.0910 2.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0630 -0.6670 1.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3920 -2.0160 2.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7920 3.0100 -3.9030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5520 3.2660 -2.6890 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8050 -0.3330 3.7020 O 0 5 0 0 0 0 0 0 0 0 0 0 0.5740 -1.1610 -1.1070 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3300 -0.6010 -1.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1190 -1.2960 -1.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7780 5.5430 -4.5440 O 0 5 0 0 0 0 0 0 0 0 0 0 2.0780 4.8820 -0.9980 N 0 3 0 0 0 0 0 0 0 0 0 0 2.9370 5.0250 -0.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4170 4.2750 -0.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6330 5.8410 -1.1480 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 17 1 0 0 0 0 1 18 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 25 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 19 1 0 0 0 0 7 8 1 0 0 0 0 7 20 1 0 0 0 0 7 21 1 0 0 0 0 8 9 2 0 0 0 0 8 24 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 22 1 0 0 0 0 12 23 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 29 1 0 0 0 0 15 16 2 0 0 0 0 15 28 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 29 32 1 0 0 0 0 M CHG 1 24 -1 M CHG 1 28 -1 M CHG 1 29 1 M END