PUBCHEM-ZINC04455283 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 55 0 0 1 0 0 0 0 0999 V2000 4.3320 0.9920 0.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9370 0.4660 0.4810 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7460 -0.9170 -0.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7890 0.3620 2.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3310 0.0540 2.3500 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9950 -0.8370 1.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1820 -0.1270 3.8020 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3580 0.8790 4.4690 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9840 1.7140 4.7810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7340 1.3900 3.4870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2600 1.4860 1.9360 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.3030 0.2660 5.6770 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9630 -0.7440 5.5600 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1590 0.8420 6.8870 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7080 0.1890 8.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5190 1.1010 9.2930 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2930 2.2890 9.1220 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1860 3.2140 10.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7620 -1.1450 4.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4910 -1.3390 5.6370 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7260 -2.0240 3.7780 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5810 -2.8440 4.5190 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4790 -3.6630 3.8710 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5360 -3.6740 2.4830 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6880 -2.8590 1.7420 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7820 -2.0420 2.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4230 -4.4820 1.8480 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4280 -4.4440 0.4200 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0850 0.3550 0.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4690 0.9840 -0.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4380 2.0110 0.5120 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1850 1.1500 0.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6020 -1.5470 0.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8380 -1.3730 0.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6610 -0.8170 -1.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4280 -0.4380 2.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0820 1.3060 2.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5480 0.6720 3.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1050 2.3710 3.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3080 1.6880 6.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7710 -0.0020 7.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1900 -0.7540 8.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8460 0.5800 10.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5350 1.3640 9.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5280 2.7370 11.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1470 3.5210 10.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8030 4.0890 10.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5370 -2.8360 5.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1400 -4.2980 4.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7360 -2.8700 0.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1200 -1.4130 1.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4470 -4.7340 0.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6610 -3.4330 0.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1820 -5.1350 0.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 32 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 4 5 1 0 0 0 0 4 36 1 0 0 0 0 4 37 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 11 1 0 0 0 0 7 8 1 0 0 0 0 7 19 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 12 1 0 0 0 0 10 11 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 40 1 0 0 0 0 15 16 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 17 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 17 18 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 18 47 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 48 1 0 0 0 0 23 24 1 0 0 0 0 23 49 1 0 0 0 0 24 25 2 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 25 50 1 0 0 0 0 26 51 1 0 0 0 0 27 28 1 0 0 0 0 28 52 1 0 0 0 0 28 53 1 0 0 0 0 28 54 1 0 0 0 0 M END