PUBCHEM-ZINC00591438 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 51 0 0 0 0 0 0 0 0999 V2000 -0.0780 0.7610 -2.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0110 -0.6070 -2.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2120 -1.2500 -2.3490 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3700 -0.5240 -2.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3020 0.8460 -1.9360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0770 1.4860 -1.9650 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5610 1.6370 -1.6940 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2330 1.8870 -2.9720 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3880 2.5820 -3.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8700 3.0000 -1.9700 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0790 2.8390 -4.3160 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3040 3.6080 -4.0810 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4860 2.9710 -3.8470 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6210 3.6730 -3.6300 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6320 5.0050 -3.6350 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5270 5.6860 -3.8540 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2770 4.9600 -4.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2370 5.5610 -4.3090 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5450 7.0760 -3.8570 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8000 7.7920 -3.6150 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5460 9.3000 -3.6720 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8560 10.0350 -3.5470 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3420 10.7520 -4.6230 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5480 11.4250 -4.4980 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2230 11.3510 -3.2890 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6760 10.6150 -2.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5220 9.9910 -2.4090 N 0 3 0 0 0 0 0 0 0 0 0 0 10.9900 9.2510 -1.3260 O 0 5 0 0 0 0 0 0 0 0 0 0 8.9430 9.6250 -4.8920 F 0 0 0 0 0 0 0 0 0 0 0 0 8.7010 9.6700 -2.6200 F 0 0 0 0 0 0 0 0 0 0 0 0 8.5350 1.2350 -3.8290 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.5660 -1.1510 -2.0990 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.0340 1.2630 -2.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9140 -1.1730 -2.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2640 -2.3180 -2.4990 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0240 2.5550 -1.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3080 2.5880 -1.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2250 1.0730 -1.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8470 1.5520 -3.7970 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3320 1.8880 -4.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4160 3.4030 -4.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5430 3.1400 -3.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7280 7.5720 -4.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1870 7.5260 -2.6320 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5280 7.5170 -4.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7900 10.7880 -5.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9520 11.9930 -5.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1640 11.8630 -3.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1950 10.5520 -1.3110 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 2 34 1 0 0 0 0 3 4 1 0 0 0 0 3 35 1 0 0 0 0 4 5 2 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 36 1 0 0 0 0 7 8 1 0 0 0 0 7 37 1 0 0 0 0 7 38 1 0 0 0 0 8 9 1 0 0 0 0 8 39 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 40 1 0 0 0 0 11 41 1 0 0 0 0 12 13 1 0 0 0 0 12 17 1 0 0 0 0 13 14 2 0 0 0 0 13 31 1 0 0 0 0 14 15 1 0 0 0 0 14 42 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 16 19 1 0 0 0 0 17 18 2 0 0 0 0 19 20 1 0 0 0 0 19 43 1 0 0 0 0 20 21 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 21 29 1 0 0 0 0 21 30 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 46 1 0 0 0 0 24 25 1 0 0 0 0 24 47 1 0 0 0 0 25 26 2 0 0 0 0 25 48 1 0 0 0 0 26 27 1 0 0 0 0 26 49 1 0 0 0 0 27 28 1 0 0 0 0 M CHG 1 27 1 M CHG 1 28 -1 M END