PUBCHEM-ZINC04663133 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 56 0 0 0 0 0 0 0 0999 V2000 0.1020 1.4320 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 0.0510 -0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2310 -0.6800 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4580 -0.0280 -0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5050 1.3590 -0.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3250 2.0900 -0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3680 3.4860 -0.0570 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2660 4.0580 0.7390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9010 4.9690 1.8100 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2880 5.3090 1.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6490 3.9830 0.4870 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6430 -0.7670 -0.0370 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9340 -0.0830 0.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0560 -1.1200 0.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 -0.4050 0.2550 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6140 0.4740 -0.9800 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4920 1.5110 -1.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1440 0.7960 -1.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5090 2.3840 0.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3000 1.5050 1.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4210 0.4680 1.5120 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9510 0.7900 1.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1800 -2.1590 0.0050 N 0 3 0 0 0 0 0 0 0 0 0 0 0.1100 -2.7300 0.1170 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2080 -2.8050 -0.0930 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.8170 2.0000 -0.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8940 -0.4580 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4570 1.8680 -0.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3910 4.6430 0.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2980 3.2580 1.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3080 5.8730 1.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0140 4.4340 2.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2100 6.1290 0.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0100 5.5410 1.9850 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0620 3.2680 1.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3580 4.1690 -0.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6110 -1.7340 -0.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9060 -1.7460 1.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0440 -1.7420 -0.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2040 -1.1440 0.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5750 0.9830 -0.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6020 -0.1480 -1.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6420 2.1370 -1.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1320 0.1740 -2.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3450 1.5350 -1.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4700 2.8940 0.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7100 3.1230 0.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3120 2.1270 2.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2720 -0.1580 2.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3820 0.9780 1.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1520 1.5290 1.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8010 0.1640 2.2000 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 26 1 0 0 0 0 2 3 2 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 23 1 0 0 0 0 4 5 2 0 0 0 0 4 12 1 0 0 0 0 5 6 1 0 0 0 0 5 28 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 10 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 11 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 13 1 0 0 0 0 12 37 1 0 0 0 0 13 14 1 0 0 0 0 13 18 1 0 0 0 0 13 22 1 0 0 0 0 14 15 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 16 1 0 0 0 0 15 21 1 0 0 0 0 15 40 1 0 0 0 0 16 17 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 43 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 19 20 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 48 1 0 0 0 0 21 49 1 0 0 0 0 21 50 1 0 0 0 0 22 51 1 0 0 0 0 22 52 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 M CHG 1 23 1 M CHG 1 25 -1 M END