PUBCHEM-ZINC04521930 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 46 0 0 1 0 0 0 0 0999 V2000 -0.9880 -0.3950 -0.6550 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8190 -0.9760 -1.8970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2950 -1.7540 -2.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2400 -1.9510 -1.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0720 -1.3680 0.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0430 -0.5920 0.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4550 -2.8000 -1.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5230 -1.9630 -1.9530 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6860 -2.5720 -2.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8050 -3.7700 -2.0860 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7180 -1.8530 -2.7360 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0170 -2.4940 -2.9580 C 0 0 3 0 0 0 0 0 0 0 0 0 7.1640 -3.2820 -2.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1290 -1.4530 -2.8210 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1820 -0.9580 -1.3980 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3520 -1.3310 -0.5960 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1500 -0.1020 -1.0180 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0530 -3.0880 -4.3430 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0930 -2.9870 -5.0690 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1530 -3.7300 -4.7690 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1640 -4.1410 -6.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3760 -3.2230 -7.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3870 -3.6430 -8.3990 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1870 -4.9770 -8.7020 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9750 -5.8940 -7.6880 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9690 -5.4800 -6.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1980 -5.4250 -10.1120 N 0 3 0 0 0 0 0 0 0 0 0 0 8.3840 -4.6180 -11.0060 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0220 -6.6000 -10.3800 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.8570 0.2160 -0.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5580 -0.8230 -2.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4270 -2.2090 -3.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8100 -1.5220 0.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1760 -0.1370 1.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7810 -3.2770 -0.5130 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2040 -3.5640 -2.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6010 -0.9110 -2.9370 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0850 -1.9060 -3.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9280 -0.6160 -3.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8140 0.1960 -1.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1840 0.2160 -0.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5320 -2.1810 -6.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5520 -2.9290 -9.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8180 -6.9360 -7.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8090 -6.1980 -5.5790 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 30 1 0 0 0 0 2 3 2 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 32 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 7 35 1 0 0 0 0 7 36 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 37 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 18 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 2 0 0 0 0 15 17 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 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 42 1 0 0 0 0 23 24 1 0 0 0 0 23 43 1 0 0 0 0 24 25 2 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 25 44 1 0 0 0 0 26 45 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