PUBCHEM-ZINC05558459 MOE2007 3D CORINA 3.40 0006 02.08.2006 35 36 0 0 0 0 0 0 0 0999 V2000 0.1370 0.4610 0.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1760 -0.8950 0.3850 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4970 -1.2550 0.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5740 -0.3760 0.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9020 -0.8420 0.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1400 -2.2100 0.4540 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0740 -3.0950 0.6190 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7640 -2.6200 0.5650 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7540 -3.5270 0.7620 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1110 -3.8610 -0.4760 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3140 -4.1370 -0.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1940 -3.6880 0.7860 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4360 -4.3070 0.5160 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2410 -5.0900 -0.6040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9490 -4.9910 -1.0310 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2620 -5.9050 -1.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4270 -5.8940 -0.7360 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.9900 0.1230 0.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1620 0.0620 0.6890 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1740 1.0620 0.4300 N 0 3 0 0 0 0 0 0 0 0 0 0 -6.9370 1.9550 -0.3950 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.2250 0.9420 1.0700 O 0 5 0 0 0 0 0 0 0 0 0 0 1.2270 0.5590 0.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2260 0.7530 -0.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2540 1.1270 0.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4050 0.6870 0.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1510 -2.6090 0.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2590 -4.1540 0.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5960 -4.7570 -0.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1740 -3.0640 -1.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9600 -2.9950 1.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3670 -4.1980 1.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7700 0.9170 -0.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4870 -0.6570 1.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9220 -6.5690 -2.2800 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 26 1 0 0 0 0 5 6 1 0 0 0 0 5 18 1 0 0 0 0 6 7 2 0 0 0 0 6 27 1 0 0 0 0 7 8 1 0 0 0 0 7 28 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 12 31 1 0 0 0 0 13 14 2 0 0 0 0 13 32 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 35 2 0 0 0 0 18 19 2 0 0 0 0 18 33 1 0 0 0 0 19 20 1 0 0 0 0 19 34 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 M CHG 1 17 -1 M CHG 1 20 1 M CHG 1 22 -1 M END