PUBCHEM-ZINC05298694 MOE2007 3D CORINA 3.40 0006 02.08.2006 28 27 0 0 1 0 0 0 0 0999 V2000 -0.1720 1.5700 -0.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0260 0.0430 -0.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6530 -0.3870 1.2690 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4340 -0.6160 -0.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7690 -1.4300 -0.9790 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3000 -0.2290 0.8790 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0390 0.4440 1.6040 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6980 -0.6690 1.0520 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.2050 -0.6140 0.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8150 -2.0530 1.6990 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6660 -3.4210 0.4990 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.7260 -2.8380 -0.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4120 0.2780 2.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6100 1.0080 2.7220 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9720 -0.5290 -1.5100 S 0 0 0 0 0 0 0 0 0 0 0 0 2.6230 0.1020 -1.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7940 2.0850 -0.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7000 1.8800 -1.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7490 1.9600 0.7370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0460 -0.1270 2.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8040 -1.4720 1.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6200 0.1050 1.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0310 -2.1900 2.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7750 -2.2000 2.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0530 -0.4200 -0.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2730 -0.0870 -1.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6150 1.1790 -0.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6700 0.2180 2.0810 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 17 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 15 1 0 0 0 0 3 20 1 0 0 0 0 3 21 1 0 0 0 0 3 22 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 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 13 1 0 0 0 0 10 11 1 0 0 0 0 10 23 1 0 0 0 0 10 24 1 0 0 0 0 11 12 1 0 0 0 0 13 14 2 0 0 0 0 13 28 1 0 0 0 0 15 16 1 0 0 0 0 16 25 1 0 0 0 0 16 26 1 0 0 0 0 16 27 1 0 0 0 0 M CHG 1 28 -1 M END