PUBCHEM-ZINC04533783 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 52 0 0 1 0 0 0 0 0999 V2000 -0.0800 1.9090 0.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0370 0.3930 0.1040 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4490 0.0450 -0.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3270 -0.2470 0.3610 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7150 -0.4950 1.5030 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0180 -0.5160 -0.7860 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3600 -1.1010 -0.8510 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.2640 -2.1160 -0.4460 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8340 -1.1720 -2.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7400 -1.6070 -3.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6300 -0.9960 -3.1610 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4660 -0.3420 -0.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4890 0.9190 -0.1890 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8880 -0.0890 1.1810 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2540 -0.2010 1.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8900 0.2040 0.0940 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9130 -0.8680 2.2870 C 0 0 3 0 0 0 0 0 0 0 0 0 2.6280 -0.2630 3.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4250 -2.3130 2.4950 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9820 -2.9420 3.7520 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4890 -2.5660 5.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0130 -3.1330 6.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0300 -4.0820 6.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5240 -4.4670 4.8410 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0020 -3.9000 3.6780 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3650 -0.7040 2.1750 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1410 -1.4050 1.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7540 -2.3270 0.5670 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5680 -0.9130 1.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8990 2.3790 -0.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7440 2.2500 -0.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4900 2.2760 1.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5790 -0.3850 -1.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6990 -1.8430 -2.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1750 -0.1860 -2.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3960 -0.3560 2.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3300 -2.3390 2.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6520 -2.9410 1.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6850 -1.8360 5.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6230 -2.8410 7.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4320 -4.5270 6.9930 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3110 -5.2130 4.7770 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3910 -4.2120 2.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7850 -0.0130 2.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6830 0.1350 1.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2360 -1.5520 1.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0770 -2.4950 -4.1260 O 0 5 0 0 0 0 0 0 0 0 0 0 -5.2620 -1.0860 0.5860 O 0 5 0 0 0 0 0 0 0 0 0 0 6.9770 -1.0300 -0.2940 N 0 3 0 0 0 0 0 0 0 0 0 0 7.9920 -0.9720 -0.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5020 -0.3140 -0.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6220 -1.9340 -0.6520 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 4 1 0 0 0 0 2 14 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 33 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 12 1 0 0 0 0 9 10 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 10 11 2 0 0 0 0 10 47 1 0 0 0 0 12 13 2 0 0 0 0 12 48 1 0 0 0 0 14 15 1 0 0 0 0 14 36 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 17 26 1 0 0 0 0 19 20 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 39 1 0 0 0 0 22 23 1 0 0 0 0 22 40 1 0 0 0 0 23 24 2 0 0 0 0 23 41 1 0 0 0 0 24 25 1 0 0 0 0 24 42 1 0 0 0 0 25 43 1 0 0 0 0 26 27 1 0 0 0 0 26 44 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 29 45 1 0 0 0 0 29 46 1 0 0 0 0 29 49 1 0 0 0 0 49 50 1 0 0 0 0 49 51 1 0 0 0 0 49 52 1 0 0 0 0 M CHG 1 47 -1 M CHG 1 48 -1 M CHG 1 49 1 M END