PUBCHEM-ZINC05131904 MOE2007 3D CORINA 3.40 0006 02.08.2006 20 19 0 0 1 0 0 0 0 0999 V2000 -0.2030 1.3430 0.2550 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4720 -0.1460 0.1640 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.3410 -0.5820 -0.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9120 -0.5220 0.6840 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8360 -1.3140 1.6960 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5950 -1.3180 1.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4990 -0.8530 0.3190 N 0 3 0 0 0 0 0 0 0 0 0 0 3.4740 -1.0940 0.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2070 -0.0650 -0.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0050 -2.1900 2.1380 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3400 -2.5550 2.8070 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9700 -2.4820 2.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8980 1.7920 -0.7010 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8000 0.9220 -0.9240 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1090 1.9130 0.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1000 1.6220 1.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9000 -0.0530 0.0680 O 0 5 0 0 0 0 0 0 0 0 0 0 0.3090 -0.9670 1.1560 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4000 -1.4170 1.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8110 2.9750 -1.1230 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 13 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 18 1 0 0 0 0 4 5 2 0 0 0 0 4 17 1 0 0 0 0 6 7 2 0 0 0 0 6 10 1 0 0 0 0 6 18 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 13 14 2 0 0 0 0 13 20 1 0 0 0 0 18 19 1 0 0 0 0 M CHG 1 7 1 M CHG 1 17 -1 M CHG 1 20 -1 M END