PUBCHEM-ZINC05134904 MOE2007 3D CORINA 3.40 0006 02.08.2006 18 18 0 0 1 0 0 0 0 0999 V2000 -0.0500 1.5470 -0.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0740 0.0520 -0.0030 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1030 -0.4930 -0.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3720 -0.0900 0.6130 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1550 0.9190 0.0120 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3740 1.9060 -0.5310 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7690 2.9140 -1.0950 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.4860 0.9190 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.0080 -0.2240 0.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9760 -2.0470 0.9940 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1760 -2.5140 2.1590 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6880 1.7580 -1.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3910 2.1180 0.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1620 0.8550 0.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7890 -2.6500 -0.0980 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.9220 0.0470 2.3120 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0680 0.0030 2.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3230 -0.7240 2.8810 H 0 0 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 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 5 6 1 0 0 0 0 5 14 1 0 0 0 0 6 7 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 16 1 0 0 0 0 10 11 2 0 0 0 0 10 15 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 M CHG 1 15 -1 M END