PUBCHEM-ZINC05134693 MOE2007 3D CORINA 3.40 0006 02.08.2006 35 36 0 0 0 0 0 0 0 0999 V2000 0.4320 1.3950 -0.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3550 -0.1100 -0.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6180 -0.7970 0.9330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5690 -2.1940 1.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2250 -2.9060 -0.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0360 -2.2410 -1.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0620 -0.8350 -1.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1790 -0.0820 -2.7330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4790 -3.2720 -2.7460 S 0 0 0 0 0 0 0 0 0 0 0 0 0.5480 -3.0900 -3.7520 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7930 -4.6000 -2.2570 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8920 -2.5920 -3.3470 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1140 -2.4320 -2.6220 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4170 -3.0860 -1.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6650 -2.8940 -0.8190 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6170 -2.0630 -1.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3390 -1.4200 -2.6130 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0940 -1.6140 -3.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8320 -0.9970 -4.3690 F 0 0 0 0 0 0 0 0 0 0 0 0 -7.1500 -1.8410 -0.6610 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.8810 -2.9090 2.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8100 -4.1780 2.3030 O 0 5 0 0 0 0 0 0 0 0 0 0 1.3360 1.7330 -0.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4520 1.8330 -0.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4660 1.7830 0.7750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8730 -0.2350 1.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1750 -3.9930 -0.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4200 0.8320 -2.7810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1160 -0.6520 -3.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2350 0.1910 -2.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8000 -2.0720 -4.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7150 -3.7580 -0.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8850 -3.4050 0.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0700 -0.7780 -3.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1950 -2.1880 3.3090 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 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 7 2 0 0 0 0 3 4 2 0 0 0 0 3 26 1 0 0 0 0 4 5 1 0 0 0 0 4 21 1 0 0 0 0 5 6 2 0 0 0 0 5 27 1 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 10 2 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 12 13 1 0 0 0 0 12 31 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 32 1 0 0 0 0 15 16 1 0 0 0 0 15 33 1 0 0 0 0 16 17 2 0 0 0 0 16 20 1 0 0 0 0 17 18 1 0 0 0 0 17 34 1 0 0 0 0 18 19 1 0 0 0 0 21 22 1 0 0 0 0 21 35 2 0 0 0 0 M CHG 1 22 -1 M END