PUBCHEM-ZINC05118767 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 52 0 0 1 0 0 0 0 0999 V2000 -0.0130 1.0860 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0720 1.0150 2.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7400 3.0270 1.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6690 3.4810 2.3870 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7100 5.0090 2.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6000 5.4430 3.5100 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1670 5.6900 4.8860 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.4190 6.4840 4.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4140 6.1240 5.6720 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.5300 6.0960 4.6480 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9110 5.6700 3.3620 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5160 5.5420 2.3180 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6920 6.3680 4.8370 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2350 7.5180 6.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5410 8.3180 5.6240 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8740 7.8920 7.4200 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7890 9.1250 8.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5110 9.2150 9.1790 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1670 8.1010 9.5300 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9120 6.8570 8.3900 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.5940 4.4290 5.4810 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1750 3.2070 5.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 2.0500 5.7440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5450 2.1160 6.5710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0360 3.3380 6.8530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4860 4.4940 6.3040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2200 3.4080 7.7390 N 0 3 0 0 0 0 0 0 0 0 0 0 1.6820 2.3890 8.2200 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 4.4850 7.9870 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0100 1.4630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5400 1.4470 -0.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9700 1.3320 2.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1190 -0.0740 2.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6000 1.3810 3.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1100 3.4080 0.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2640 3.4130 1.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6730 3.0950 2.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2980 3.1000 3.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7060 5.3950 2.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0800 5.3900 1.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6200 5.4210 6.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2110 9.9430 7.6110 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5480 10.1190 9.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7800 8.0040 10.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0390 3.1550 4.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1040 1.0950 5.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1350 1.2120 6.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0300 5.4490 6.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7000 1.5600 1.2170 N 0 0 0 0 0 0 0 0 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 1 50 1 0 0 0 0 2 33 1 0 0 0 0 2 34 1 0 0 0 0 2 35 1 0 0 0 0 2 50 1 0 0 0 0 3 4 1 0 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 3 50 1 0 0 0 0 4 5 1 0 0 0 0 4 38 1 0 0 0 0 4 39 1 0 0 0 0 5 6 1 0 0 0 0 5 40 1 0 0 0 0 5 41 1 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 21 1 0 0 0 0 9 10 1 0 0 0 0 9 14 1 0 0 0 0 9 42 1 0 0 0 0 10 11 1 0 0 0 0 10 13 2 0 0 0 0 11 12 2 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 2 0 0 0 0 16 20 1 0 0 0 0 17 18 1 0 0 0 0 17 43 1 0 0 0 0 18 19 2 0 0 0 0 18 44 1 0 0 0 0 19 20 1 0 0 0 0 19 45 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 46 1 0 0 0 0 23 24 1 0 0 0 0 23 47 1 0 0 0 0 24 25 2 0 0 0 0 24 48 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 26 49 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 M CHG 1 27 1 M CHG 1 29 -1 M END