PUBCHEM-ZINC05392820 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 43 0 0 1 0 0 0 0 0999 V2000 0.8930 0.9970 1.6470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8320 -0.2890 1.2360 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6430 -0.6740 0.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4970 0.2790 -0.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4500 1.5610 0.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6710 1.9900 1.1780 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3820 2.2680 -0.5430 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9230 1.4080 -1.4620 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4180 0.1950 -1.3710 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7340 3.6620 -0.3220 C 0 0 3 0 0 0 0 0 0 0 0 0 2.9420 4.0880 0.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9820 4.5190 -1.6070 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7330 3.9190 -2.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5070 4.7230 -1.5530 C 0 0 3 0 0 0 0 0 0 0 0 0 5.8670 5.6520 -2.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8090 4.6790 -0.0490 C 0 0 3 0 0 0 0 0 0 0 0 0 5.5250 5.6250 0.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9460 3.6490 0.4710 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2490 4.3190 0.3190 C 0 0 3 0 0 0 0 0 0 0 0 0 7.9450 5.0400 -0.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4350 4.2510 1.8410 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8190 3.9840 2.1930 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7500 4.9930 2.3390 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5020 6.1880 2.1970 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1300 4.5020 2.6920 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2190 4.4120 4.6280 Br 0 0 0 0 0 0 0 0 0 0 0 0 7.5450 3.0270 -0.2540 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8580 2.4250 0.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1280 3.6470 -2.2760 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9360 3.3840 -1.7810 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3930 5.7010 -1.4620 O 0 5 0 0 0 0 0 0 0 0 0 0 1.5990 -1.9820 -0.2060 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2290 1.2630 2.4630 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6800 1.7100 -2.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1250 5.1910 2.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8520 3.4320 2.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0910 3.0160 2.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3290 3.5040 2.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8900 5.2060 2.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9620 -2.6090 0.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1930 -2.2820 -0.9670 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 33 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 3 32 1 0 0 0 0 4 5 2 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 7 8 1 0 0 0 0 7 10 1 0 0 0 0 8 9 2 0 0 0 0 8 34 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 18 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 31 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 29 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 27 1 0 0 0 0 21 22 1 0 0 0 0 21 35 1 0 0 0 0 21 36 1 0 0 0 0 22 23 1 0 0 0 0 22 37 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 25 38 1 0 0 0 0 25 39 1 0 0 0 0 27 28 1 0 0 0 0 29 30 1 0 0 0 0 32 40 1 0 0 0 0 32 41 1 0 0 0 0 M CHG 1 31 -1 M END