PUBCHEM-ZINC03869956 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 38 0 0 1 0 0 0 0 0999 V2000 -0.9600 1.9470 -0.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9400 0.4190 -0.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1640 -0.2010 -0.8420 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0020 0.4510 -1.4530 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2040 -1.5660 -0.6810 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3070 -2.4220 -1.1530 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.2300 -1.9850 -0.7620 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3320 -2.5040 -2.6860 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4410 -3.7380 -3.4440 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.3450 -3.2110 -2.6830 S 0 0 0 0 0 0 0 0 0 0 0 0 -7.2450 -4.0860 -3.4240 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1920 -3.5210 -1.2620 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4330 -1.7930 -3.0060 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.0260 -3.7860 -0.4990 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8720 -4.1910 -0.3380 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1520 -4.4870 -0.1360 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0940 -5.7410 0.6110 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8790 -5.6430 2.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6630 -4.4930 2.6200 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2220 2.5900 0.4450 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3330 2.2380 1.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1450 4.1380 0.4390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2140 4.5750 -0.1230 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9920 2.2710 -1.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8930 2.3100 0.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0540 0.0200 -0.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9040 0.0970 0.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4500 -2.0510 -0.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5860 -1.5270 -3.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3260 -2.7410 -3.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0870 -4.1110 -0.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0420 -6.2570 0.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2850 -6.3490 0.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9490 -6.7570 2.7430 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.8410 4.7030 0.9540 O 0 5 0 0 0 0 0 0 0 0 0 0 1.5210 2.2470 -0.2670 N 0 3 0 0 0 0 0 0 0 0 0 0 1.8900 3.2440 -0.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3960 1.8430 -1.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1860 1.7220 0.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 20 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 26 1 0 0 0 0 2 27 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 28 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 14 1 0 0 0 0 8 9 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 31 1 0 0 0 0 17 18 1 0 0 0 0 17 32 1 0 0 0 0 17 33 1 0 0 0 0 18 19 2 0 0 0 0 18 34 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 36 1 0 0 0 0 22 23 2 0 0 0 0 22 35 1 0 0 0 0 36 37 1 0 0 0 0 36 38 1 0 0 0 0 36 39 1 0 0 0 0 M CHG 1 13 -1 M CHG 1 34 -1 M CHG 1 35 -1 M CHG 1 36 1 M END