PUBCHEM-ZINC05502239 MOE2007 3D CORINA 3.40 0006 02.08.2006 20 19 0 0 1 0 0 0 0 0999 V2000 0.1490 1.2240 0.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0140 -0.2920 0.0870 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4040 -0.6000 -0.8790 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5530 -0.5150 0.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0020 -1.1350 1.0640 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5840 -1.1470 1.1280 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9020 -1.4090 1.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8020 -0.8800 0.6490 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1500 -2.3070 2.2830 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3940 1.8280 -0.1770 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5270 1.8770 -1.4760 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6920 2.1280 -1.8010 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4790 1.5530 0.7450 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6830 1.7880 -0.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0770 1.4280 1.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1230 -1.5670 1.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4090 -2.7390 2.8130 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1090 -2.5520 2.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7230 0.6270 0.4990 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1540 -0.0750 -0.9670 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 10 1 0 0 0 0 1 14 1 0 0 0 0 1 15 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 16 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 17 1 0 0 0 0 9 18 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 11 12 2 0 0 0 0 13 19 1 0 0 0 0 M CHG 1 20 -1 M END