PUBCHEM-ZINC03874719 MOE2007 3D CORINA 3.40 0006 02.08.2006 57 58 0 0 1 0 0 0 0 0999 V2000 1.4880 1.2560 1.7390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9460 0.0970 2.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3740 -0.0280 2.5190 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8710 -0.9730 3.1230 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1580 1.0240 2.1100 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1540 0.9240 2.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7060 2.2060 1.5860 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4990 3.1040 1.2870 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3260 2.3140 1.4400 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8210 3.5750 0.9060 C 0 0 3 0 0 0 0 0 0 0 0 0 2.2030 3.6470 -0.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2580 4.8100 1.7200 C 0 0 3 0 0 0 0 0 0 0 0 0 2.5460 4.5440 2.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0390 5.7270 1.7190 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2730 6.7520 1.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0880 5.0450 0.7190 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4270 5.3390 -0.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3900 3.6360 0.8450 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4200 5.3120 0.8460 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.5900 6.3940 0.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0580 4.8340 -0.4860 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8730 3.8700 -0.3780 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0210 4.6780 2.0280 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1700 5.3240 3.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9240 6.5260 3.3640 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5570 4.4460 4.4140 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.6090 3.3970 4.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4640 4.6150 5.5080 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.3330 5.6810 5.7380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8370 3.8750 6.8170 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9030 2.7950 6.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8030 4.1390 7.9240 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1460 3.3670 9.0950 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7030 3.8530 10.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0110 4.8470 10.4480 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1390 3.0620 11.2960 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1220 4.3060 7.2970 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6800 4.4540 6.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2040 4.1180 5.0390 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1250 4.7080 4.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5480 5.7780 3.0640 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1840 6.4390 3.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3910 5.4370 1.1100 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0940 4.7420 1.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9980 -1.0780 2.4310 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3950 -2.1910 1.9830 O 0 5 0 0 0 0 0 0 0 0 0 0 0.4290 1.3870 1.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3240 3.7170 1.8790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2000 3.8350 7.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8010 5.2080 8.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7080 2.2580 11.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8960 3.2790 12.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7150 5.4910 -1.5130 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.8930 4.8860 4.9020 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5800 4.6630 4.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8990 5.9160 4.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0990 -0.7930 2.9940 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 9 1 0 0 0 0 1 47 1 0 0 0 0 2 3 1 0 0 0 0 2 45 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 18 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 43 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 41 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 23 1 0 0 0 0 21 22 2 0 0 0 0 21 53 1 0 0 0 0 23 24 1 0 0 0 0 23 48 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 54 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 28 39 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 30 37 1 0 0 0 0 32 33 1 0 0 0 0 32 49 1 0 0 0 0 32 50 1 0 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 34 36 1 0 0 0 0 36 51 1 0 0 0 0 36 52 1 0 0 0 0 37 38 1 0 0 0 0 39 40 1 0 0 0 0 41 42 1 0 0 0 0 43 44 1 0 0 0 0 45 46 1 0 0 0 0 45 57 2 0 0 0 0 54 55 1 0 0 0 0 54 56 1 0 0 0 0 M CHG 1 46 -1 M CHG 1 53 -1 M END