PUBCHEM-ZINC04523463 MOE2007 3D CORINA 3.40 0006 02.08.2006 25 24 0 0 1 0 0 0 0 0999 V2000 -0.0800 1.5310 0.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0530 0.0090 0.0580 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0740 -0.3860 0.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7260 -0.4860 1.3150 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8290 -1.0530 1.0320 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5760 -0.4710 -1.1880 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0370 -0.4690 -2.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1840 -0.0650 -2.6200 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7820 -1.0570 -3.5700 C 0 0 3 0 0 0 0 0 0 0 0 0 1.4090 -1.8830 -3.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6260 0.0160 -4.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1500 -0.4630 -5.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3810 -1.3280 -6.1680 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9340 1.9460 0.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6270 1.9420 -0.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5650 1.8960 1.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5180 -0.8320 -1.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0350 0.9230 -4.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4650 0.2990 -3.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1750 -0.2830 2.4330 O 0 5 0 0 0 0 0 0 0 0 0 0 3.2220 0.0470 -6.0230 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.1710 -1.6620 -4.5610 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.9770 -1.0440 -4.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4810 -2.6050 -4.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3810 -1.7060 -5.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 14 1 0 0 0 0 1 15 1 0 0 0 0 1 16 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 6 1 0 0 0 0 4 5 2 0 0 0 0 4 20 1 0 0 0 0 6 7 1 0 0 0 0 6 17 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 9 11 1 0 0 0 0 9 22 1 0 0 0 0 11 12 1 0 0 0 0 11 18 1 0 0 0 0 11 19 1 0 0 0 0 12 13 2 0 0 0 0 12 21 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 M CHG 1 20 -1 M CHG 1 21 -1 M CHG 1 22 1 M END