PUBCHEM-ZINC05410814 MOE2007 3D CORINA 3.40 0006 02.08.2006 26 25 0 0 1 0 0 0 0 0999 V2000 0.0190 1.4020 0.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1740 -0.1110 0.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9120 -0.5480 0.2320 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.5540 -0.1620 1.4700 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3990 -0.0780 -1.0490 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8420 -2.2290 0.1480 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4120 -3.0110 1.3600 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2340 -3.8960 0.8860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2180 -3.5430 -0.2530 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4810 1.8240 0.2310 C 0 0 3 0 0 0 0 0 0 0 0 0 1.9890 1.4750 1.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7010 3.3590 0.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5490 3.5560 -0.8460 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4480 1.7620 -0.7220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5190 1.9010 1.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3280 -0.6370 -0.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2100 -0.4710 1.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2180 -2.5670 -0.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0830 -2.3590 2.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2510 -3.6270 1.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1090 -4.8310 1.6570 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0770 4.1330 0.8560 O 0 5 0 0 0 0 0 0 0 0 0 0 2.2300 1.2040 -0.9340 N 0 3 0 0 0 0 0 0 0 0 0 0 2.7340 2.0830 -1.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6460 0.9000 -1.7180 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9360 0.5090 -0.6770 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 2 0 0 0 0 3 6 1 0 0 0 0 6 7 1 0 0 0 0 6 18 1 0 0 0 0 7 8 1 0 0 0 0 7 19 1 0 0 0 0 7 20 1 0 0 0 0 8 9 2 0 0 0 0 8 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