PUBCHEM-ZINC03872047 MOE2007 3D CORINA 3.40 0006 02.08.2006 20 20 0 0 1 0 0 0 0 0999 V2000 -0.0560 1.2770 0.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2370 -0.2150 0.2080 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.7070 -0.7410 0.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4610 0.1250 -0.8180 C 0 0 3 0 0 0 0 0 0 0 0 0 3.0700 -0.1720 0.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2700 1.6360 -0.8690 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2030 2.1050 0.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2730 3.2170 0.6170 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2250 -0.1880 -2.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4940 -0.2880 -3.1790 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7090 -0.6930 1.6190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2860 -1.8350 1.9720 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6630 1.5220 -0.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6130 1.5830 1.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2110 2.1350 -0.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9740 1.9860 -1.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1970 -0.6420 -0.8290 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8060 -0.5480 -1.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4840 -0.2670 -2.0410 O 0 5 0 0 0 0 0 0 0 0 0 0 1.4120 0.1290 2.2770 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 7 1 0 0 0 0 1 13 1 0 0 0 0 1 14 1 0 0 0 0 2 3 1 0 0 0 0 2 11 1 0 0 0 0 2 17 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 0 0 0 0 4 17 1 0 0 0 0 6 7 1 0 0 0 0 6 15 1 0 0 0 0 6 16 1 0 0 0 0 7 8 2 0 0 0 0 9 10 2 0 0 0 0 9 19 1 0 0 0 0 11 12 2 0 0 0 0 11 20 1 0 0 0 0 17 18 1 0 0 0 0 M CHG 1 19 -1 M CHG 1 20 -1 M END