PUBCHEM-ZINC05957872 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 48 0 0 0 0 0 0 0 0999 V2000 0.4010 1.9110 0.7780 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7500 1.0430 2.8010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9940 3.4700 2.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3710 3.6850 2.7730 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6620 5.0840 2.9940 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9510 5.9520 1.9630 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9520 5.5900 0.7890 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2540 7.3700 2.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5650 8.2250 1.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8570 9.5580 1.4920 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8410 10.0390 2.7960 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5310 9.1990 3.8930 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2280 7.8330 3.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9200 6.9960 4.6780 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9070 7.4750 5.9390 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1880 8.7810 6.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5080 9.6720 5.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8130 11.0670 5.5970 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1320 11.4650 5.8710 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4190 12.7860 6.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3930 13.7240 6.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0780 13.3450 6.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7890 12.0240 5.6920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4560 0.8780 0.4230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2910 2.1750 1.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2670 2.5850 -0.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0750 1.3150 3.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5940 0.0490 2.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7060 1.0620 3.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8770 4.0980 1.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1840 3.7080 2.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1590 3.2750 2.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4310 3.1930 3.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6710 5.4780 3.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5820 7.8550 0.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0980 10.2220 0.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0750 11.0910 2.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6550 6.7520 6.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1610 9.1030 7.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9450 10.7450 5.8100 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4440 13.0830 6.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6170 14.7510 6.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2780 14.0770 6.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7570 11.7460 5.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8050 2.0350 1.6730 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.6190 1.7960 1.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 45 1 0 0 0 0 2 27 1 0 0 0 0 2 28 1 0 0 0 0 2 29 1 0 0 0 0 2 45 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 3 45 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 4 33 1 0 0 0 0 5 6 1 0 0 0 0 5 34 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 2 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 35 1 0 0 0 0 10 11 2 0 0 0 0 10 36 1 0 0 0 0 11 12 1 0 0 0 0 11 37 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 38 1 0 0 0 0 16 17 1 0 0 0 0 16 39 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 21 22 2 0 0 0 0 21 42 1 0 0 0 0 22 23 1 0 0 0 0 22 43 1 0 0 0 0 23 44 1 0 0 0 0 45 46 1 0 0 0 0 M CHG 1 45 1 M END