PUBCHEM-ZINC04545879 MOE2007 3D CORINA 3.40 0006 02.08.2006 28 27 0 0 1 0 0 0 0 0999 V2000 -0.1910 1.7910 -1.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0860 0.4500 -0.3000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7530 -0.1370 -0.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4070 -0.3320 -0.3650 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.7940 -0.3130 -1.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2340 -1.7960 0.0920 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.6380 -1.8230 1.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5770 -2.5070 0.3780 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.1010 -2.0070 1.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4860 -2.4370 -0.8410 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7030 -3.3820 -1.5980 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4980 -2.5030 -0.9130 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3510 -3.4070 -0.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3480 0.3240 0.4950 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7750 0.7110 1.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1360 0.6810 1.1080 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8980 1.3850 1.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1120 2.2640 -1.3640 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9080 3.1280 -0.2180 P 0 0 0 0 0 0 0 0 0 0 0 0 1.1790 4.4640 -0.1830 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7110 1.6620 -1.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7290 2.5430 -0.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9480 -1.4530 -1.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4110 -3.9250 0.7700 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5430 -4.0430 1.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3730 -4.5020 -0.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7230 2.2760 1.0400 O 0 5 0 0 0 0 0 0 0 0 0 0 3.3340 3.1850 -0.7370 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