PUBCHEM-ZINC05134239 MOE2007 3D CORINA 3.40 0006 02.08.2006 22 22 0 0 1 0 0 0 0 0999 V2000 0.0040 1.5580 0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0610 0.0430 -0.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1550 0.0250 -1.2990 C 0 0 3 0 0 0 0 0 0 0 0 0 2.5720 -0.4110 -0.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2190 1.5440 -1.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4500 2.0800 -0.0170 C 0 0 3 0 0 0 0 0 0 0 0 0 1.9750 1.7470 0.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3360 3.6110 0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4630 4.2180 -1.0570 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8910 -0.6690 -2.4750 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2260 -1.6640 -2.9090 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5800 2.0090 -0.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4830 1.8630 0.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4000 -0.4600 0.7680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0900 -0.3070 -0.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2630 1.8770 -1.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8170 1.9640 -2.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6770 -0.3610 -1.3000 N 0 3 0 0 0 0 0 0 0 0 0 0 0.6930 -1.3790 -1.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2590 0.0350 -2.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1070 4.0710 1.1950 O 0 5 0 0 0 0 0 0 0 0 0 0 3.9960 -0.1920 -2.8310 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 1 12 1 0 0 0 0 1 13 1 0 0 0 0 2 14 1 0 0 0 0 2 15 1 0 0 0 0 2 18 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 10 1 0 0 0 0 3 18 1 0 0 0 0 5 6 1 0 0 0 0 5 16 1 0 0 0 0 5 17 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 2 0 0 0 0 8 21 1 0 0 0 0 10 11 2 0 0 0 0 10 22 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 M CHG 1 18 1 M CHG 1 21 -1 M CHG 1 22 -1 M END