PUBCHEM-ZINC05828711 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 41 0 0 0 0 0 0 0 0999 V2000 -0.1090 1.5470 -0.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2860 0.0200 -0.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7390 -2.0620 -1.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7930 -2.4320 -2.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.8420 -2.3780 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6410 -4.0010 -3.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6210 -2.6930 -1.5920 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1430 -2.0690 -2.7670 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8450 -1.1380 -2.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2230 -2.6040 0.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3550 -1.8490 0.5910 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6830 -2.2810 1.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8500 3.6070 1.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9790 3.8180 2.7700 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1200 5.1900 3.1240 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0400 5.4440 2.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1470 4.0860 0.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0490 3.1150 0.6400 O 0 5 0 0 0 0 0 0 0 0 0 0 0.4210 4.3070 0.7050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5930 3.7630 1.3130 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3470 4.3010 1.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9490 1.7860 -0.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4920 2.0340 -1.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1070 -0.3900 0.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3210 -0.2060 -0.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4740 -2.0890 -3.2980 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7630 -1.9680 -2.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5360 -3.7670 -1.7860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3580 -2.5610 -0.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4450 -2.5210 0.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5130 -3.6580 0.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8340 3.2730 3.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0880 3.4400 3.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3720 5.1050 0.8120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8290 4.2910 -0.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5220 4.2020 -0.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3880 5.3790 0.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6540 -0.5610 -1.2300 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5980 -0.2550 -0.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8350 2.0940 0.9870 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.8880 2.0180 0.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6220 1.5900 1.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 40 1 0 0 0 0 2 24 1 0 0 0 0 2 25 1 0 0 0 0 2 38 1 0 0 0 0 3 4 1 0 0 0 0 3 7 1 0 0 0 0 3 10 1 0 0 0 0 3 38 1 0 0 0 0 4 5 1 0 0 0 0 4 26 1 0 0 0 0 4 27 1 0 0 0 0 5 6 1 0 0 0 0 7 8 1 0 0 0 0 7 28 1 0 0 0 0 7 29 1 0 0 0 0 8 9 1 0 0 0 0 10 11 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 12 1 0 0 0 0 13 14 1 0 0 0 0 13 17 1 0 0 0 0 13 19 1 0 0 0 0 13 40 1 0 0 0 0 14 15 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 15 16 1 0 0 0 0 17 18 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 19 20 1 0 0 0 0 19 36 1 0 0 0 0 19 37 1 0 0 0 0 20 21 1 0 0 0 0 38 39 1 0 0 0 0 40 41 1 0 0 0 0 40 42 1 0 0 0 0 M CHG 1 18 -1 M CHG 1 40 1 M END