PUBCHEM-ZINC05497423 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 41 0 0 1 0 0 0 0 0999 V2000 0.2980 1.5900 0.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0820 0.0960 0.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1510 -0.6330 1.3470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0090 -1.9860 1.3050 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0870 -2.7820 0.1030 C 0 0 3 0 0 0 0 0 0 0 0 0 1.1120 -2.8960 -0.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3940 -3.9820 0.9690 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3170 -4.8160 0.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2100 -2.9950 2.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3060 -3.0620 3.3770 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7930 -4.4380 0.7550 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4320 -3.8090 0.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2570 -5.6550 1.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5540 -6.5020 1.7570 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7390 -5.9430 0.9170 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.8670 -5.9880 -0.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6510 -4.9000 1.5210 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2760 -3.9440 0.7050 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0610 -2.9360 1.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2340 -2.8730 2.6490 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6250 -3.8200 3.4700 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8360 -4.8260 2.9110 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0820 -7.2340 1.4280 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0790 -2.1050 -1.1100 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.2440 -0.4840 -1.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3550 0.0740 2.7210 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4990 -0.0950 3.2340 O 0 5 0 0 0 0 0 0 0 0 0 0 0.7000 2.0010 1.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0150 1.8440 -0.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6470 2.1010 -0.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1480 -3.9680 -0.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5290 -2.1920 0.6290 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8360 -2.0820 3.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7550 -3.7690 4.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3580 -5.5510 3.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2350 -7.6280 1.7220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9190 0.1910 -1.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6750 -0.5740 -1.7490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6280 0.7610 3.1270 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 2 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 3 26 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 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 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 16 1 0 0 0 0 15 17 1 0 0 0 0 15 23 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 31 1 0 0 0 0 19 20 1 0 0 0 0 19 32 1 0 0 0 0 20 21 2 0 0 0 0 20 33 1 0 0 0 0 21 22 1 0 0 0 0 21 34 1 0 0 0 0 22 35 1 0 0 0 0 23 36 1 0 0 0 0 24 25 1 0 0 0 0 25 37 1 0 0 0 0 25 38 1 0 0 0 0 26 27 1 0 0 0 0 26 39 2 0 0 0 0 M CHG 1 27 -1 M END