PUBCHEM-ZINC05194752 MOE2007 3D CORINA 3.40 0006 02.08.2006 26 26 0 0 0 0 0 0 0 0999 V2000 -3.8440 2.1210 1.5100 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2710 0.6610 1.6720 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4360 -0.1900 0.8210 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6330 -1.5230 0.8000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8600 -2.2220 1.7690 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.8650 -2.3060 0.0170 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0100 -3.6970 0.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2760 -4.2660 0.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4160 -5.6390 0.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2950 -6.4470 0.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0330 -5.8840 0.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8860 -4.5120 0.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4480 -7.9190 0.1980 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.5600 -8.4160 0.1830 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4620 -8.6320 0.2510 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.4650 2.7540 2.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7990 2.2280 1.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9620 2.4210 0.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1530 0.3610 2.7130 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3160 0.5540 1.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7410 0.2060 0.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2120 -1.9050 -0.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1520 -3.6350 -0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4000 -6.0820 0.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1600 -6.5180 0.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9000 -4.0720 0.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 16 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 19 1 0 0 0 0 2 20 1 0 0 0 0 3 4 1 0 0 0 0 3 21 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 22 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 23 1 0 0 0 0 9 10 1 0 0 0 0 9 24 1 0 0 0 0 10 11 2 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 11 25 1 0 0 0 0 12 26 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 M CHG 1 13 1 M CHG 1 15 -1 M END