PUBCHEM-ZINC04545880 MOE2007 3D CORINA 3.40 0006 02.08.2006 28 27 0 0 1 0 0 0 0 0999 V2000 -0.3500 1.9910 0.7550 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2040 0.5190 0.3570 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5070 0.0120 1.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5480 -0.2340 0.3600 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9670 -0.2240 1.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3580 -1.6860 -0.1360 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.6140 -2.1820 0.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6510 -2.5200 -0.1900 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.2910 -2.2050 -1.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2010 -3.9390 -0.4980 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9370 -4.7860 0.3530 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8190 -1.6750 -1.4760 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1720 -0.9150 -1.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4740 0.4320 -0.5060 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9840 0.5660 -1.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3190 0.4010 -0.9860 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1660 1.0070 -0.9910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9000 2.4830 1.2270 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9880 2.9870 0.1040 P 0 0 0 0 0 0 0 0 0 0 0 0 2.0710 1.7920 -0.8480 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7050 2.6070 -0.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0550 2.0940 1.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0550 -4.1610 -1.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4610 -2.5490 1.0390 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7520 -1.5980 1.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8720 -2.8710 1.8090 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3410 4.2190 -0.5070 O 0 5 0 0 0 0 0 0 0 0 0 0 3.2510 3.2450 0.9070 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 18 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 16 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 14 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 12 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 24 1 0 0 0 0 10 11 2 0 0 0 0 10 23 1 0 0 0 0 12 13 1 0 0 0 0 14 15 1 0 0 0 0 16 17 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 27 1 0 0 0 0 19 28 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 M CHG 1 27 -1 M CHG 1 28 -1 M END