PUBCHEM-ZINC05573487 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 46 0 0 1 0 0 0 0 0999 V2000 -0.3090 1.7870 0.1790 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1070 0.2850 0.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3760 -0.4210 0.0980 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1100 -0.7320 -1.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8450 -0.4640 -2.1770 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2870 -1.5590 -0.5840 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3380 -1.3670 0.9270 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.5320 -2.3170 1.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9640 -0.8480 1.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4750 -0.8180 2.3790 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6470 -0.1810 1.3710 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.2510 1.1640 0.8400 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3780 -0.1990 3.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5290 0.4630 3.9400 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.7060 1.4610 3.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8140 -0.3660 3.8570 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1120 0.5820 5.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2070 -0.1250 5.8580 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8020 1.4740 6.1980 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.7710 2.4810 5.8010 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7480 3.4760 6.9490 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5270 2.5890 8.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5930 1.4860 7.6590 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.5420 1.7420 7.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9630 0.1750 8.4010 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9720 -0.4510 7.9600 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6540 2.3050 0.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9350 2.1680 -0.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8000 2.0390 1.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3930 0.0600 -0.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5270 -0.0690 0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1920 -1.2460 -1.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0690 -2.6040 -0.8330 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2530 -1.2400 3.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4460 0.3390 3.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6500 -1.3850 4.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6150 0.0670 4.4630 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1840 -0.4320 2.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5130 2.9440 4.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7510 1.9990 5.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9010 4.1630 6.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6650 4.0680 7.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0880 3.1440 9.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4900 2.1880 8.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2260 -0.0940 9.3960 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 30 1 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 9 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 32 1 0 0 0 0 6 33 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 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 23 1 0 0 0 0 20 21 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 0 0 0 0 21 22 1 0 0 0 0 21 41 1 0 0 0 0 21 42 1 0 0 0 0 22 23 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 25 26 2 0 0 0 0 25 45 1 0 0 0 0 M CHG 1 45 -1 M END