PUBCHEM-ZINC05725539 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 39 0 0 1 0 0 0 0 0999 V2000 -0.2600 0.5690 -0.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0500 -0.7400 0.7080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9960 -0.5940 1.8100 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3190 -0.0440 1.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1030 1.2700 0.5070 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0540 1.1210 -0.5930 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2640 0.1540 2.3520 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4770 -0.4890 2.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8870 -1.2880 1.5950 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1650 -0.1260 3.5560 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4870 -0.6300 3.9540 C 0 0 3 0 0 0 0 0 0 0 0 0 7.0870 -0.7810 3.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3930 -1.9290 4.7710 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8970 -3.1190 3.9520 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9740 -4.4260 4.7140 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2820 -4.5360 5.8940 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6410 -5.5160 3.9550 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6620 -6.4300 4.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3770 -5.4430 2.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1990 0.3970 4.8850 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4130 1.2410 5.4190 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9640 0.4110 -0.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7140 1.3080 0.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0000 -1.0710 1.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2680 -1.5200 0.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6080 0.0720 2.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1640 -1.5670 2.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7350 -0.7800 0.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7870 2.0570 1.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0490 1.6090 0.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4360 0.4500 -1.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8770 2.0930 -1.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0240 0.7990 3.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8070 0.5720 4.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3800 -2.1750 5.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7300 -1.7840 5.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8500 -2.9770 3.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4940 -3.2220 3.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4520 0.2790 4.9800 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 2 3 1 0 0 0 0 2 24 1 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 3 26 1 0 0 0 0 3 27 1 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 4 28 1 0 0 0 0 5 6 1 0 0 0 0 5 29 1 0 0 0 0 5 30 1 0 0 0 0 6 31 1 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 7 33 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 34 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 20 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 20 21 2 0 0 0 0 20 39 1 0 0 0 0 M CHG 1 39 -1 M END