PUBCHEM-ZINC06482325 MOE2007 3D CORINA 3.40 0006 02.08.2006 22 21 0 0 1 0 0 0 0 0999 V2000 -0.0180 1.4480 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5980 -0.6000 -1.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0880 0.0700 -1.9210 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6580 -2.1040 -1.1200 C 0 0 3 0 0 0 0 0 0 0 0 0 1.1160 -2.4960 -0.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7600 -2.6630 -1.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7110 -4.1920 -1.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0680 -4.7280 -1.3450 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.4230 -5.2320 -2.3950 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8410 -4.6690 -0.4050 O 0 5 0 0 0 0 0 0 0 0 0 0 0.1200 -4.6880 -2.3110 N 0 3 0 0 0 0 0 0 0 0 0 0 1.3330 -4.5930 -2.2490 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4020 -5.1960 -3.2880 O 0 5 0 0 0 0 0 0 0 0 0 0 1.4360 -2.4920 -2.2530 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8250 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5450 1.8090 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7990 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3780 -2.2940 -0.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1850 -2.3420 -2.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2850 -4.5130 -0.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0870 -2.1770 -3.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 1 18 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 15 1 0 0 0 0 7 8 1 0 0 0 0 7 19 1 0 0 0 0 7 20 1 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 8 21 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 15 22 1 0 0 0 0 M CHG 1 9 1 M CHG 1 11 -1 M CHG 1 12 1 M CHG 1 14 -1 M END