PUBCHEM-ZINC06158197 MOE2007 3D CORINA 3.40 0006 02.08.2006 18 18 0 0 1 0 0 0 0 0999 V2000 -0.1980 1.3370 -0.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0190 -0.1880 0.0180 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.8590 -0.7500 -0.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0110 0.0360 1.5560 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0010 0.2000 2.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8160 -0.9810 2.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0830 -0.8290 2.3440 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3030 -0.7420 -0.5820 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2560 -0.6350 -2.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5500 0.5020 -2.5710 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7170 1.9330 -0.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9140 1.6700 -0.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1810 -0.1980 -0.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4310 -1.7910 -0.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7230 1.3250 1.3140 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7300 1.1250 1.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1840 -1.8970 2.9680 O 0 5 0 0 0 0 0 0 0 0 0 0 0.9420 -1.6970 -2.7120 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 11 1 0 0 0 0 1 12 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 8 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 15 1 0 0 0 0 6 7 2 0 0 0 0 6 17 1 0 0 0 0 8 9 1 0 0 0 0 8 13 1 0 0 0 0 8 14 1 0 0 0 0 9 10 2 0 0 0 0 9 18 1 0 0 0 0 15 16 1 0 0 0 0 M CHG 1 17 -1 M CHG 1 18 -1 M END