PUBCHEM-ZINC04603531 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 51 0 0 1 0 0 0 0 0999 V2000 -0.0340 1.4600 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0030 -0.0040 0.0020 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1550 -0.7420 1.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2270 -1.0360 1.8470 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.8020 -1.6350 1.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0680 -1.8060 3.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3570 -2.1820 3.6490 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3950 -2.8790 4.8160 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6120 -3.2760 5.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6510 -3.9840 6.5340 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4710 -4.2980 7.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2530 -3.9020 6.6600 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2150 -3.1980 5.4720 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5090 -4.9940 8.3600 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2560 -5.2820 8.9840 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9100 0.1940 2.0960 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1020 -0.6730 -1.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1780 -1.8860 -1.1630 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1240 0.0680 -2.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6360 1.2310 -2.5880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6120 1.9190 -3.7810 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1660 1.4580 -4.8360 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9240 0.3020 -4.6920 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9000 -0.3960 -3.5050 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7510 -0.1850 -5.8190 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.4150 -1.1980 -5.6940 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7680 0.4280 -6.8720 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.1880 2.1400 -6.0100 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6140 3.3200 -6.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9840 1.8500 -0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5760 1.8160 -0.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5380 1.8050 0.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6760 -1.6800 1.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7300 -0.1420 1.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4700 -2.7010 2.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5710 -1.1730 3.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5310 -3.0310 4.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5990 -4.2920 6.9490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3340 -4.1460 7.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2660 -2.8930 5.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6420 -5.8780 8.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7420 -4.3500 9.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4280 -5.8400 9.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4550 0.7790 2.7170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2410 1.5900 -1.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1990 2.8180 -3.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4860 -1.2970 -3.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2870 4.0320 -5.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6590 3.0620 -5.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5050 3.7670 -7.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 17 1 0 0 0 0 3 4 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 16 1 0 0 0 0 6 7 1 0 0 0 0 6 35 1 0 0 0 0 6 36 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 37 1 0 0 0 0 10 11 1 0 0 0 0 10 38 1 0 0 0 0 11 12 2 0 0 0 0 11 14 1 0 0 0 0 12 13 1 0 0 0 0 12 39 1 0 0 0 0 13 40 1 0 0 0 0 14 15 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 44 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 21 46 1 0 0 0 0 22 23 2 0 0 0 0 22 28 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 24 47 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 28 29 1 0 0 0 0 29 48 1 0 0 0 0 29 49 1 0 0 0 0 29 50 1 0 0 0 0 M CHG 1 25 1 M CHG 1 27 -1 M END