PUBCHEM-ZINC04095492 MOE2007 3D CORINA 3.40 0006 02.08.2006 21 21 0 0 1 0 0 0 0 0999 V2000 0.1770 1.6190 -0.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0340 0.1480 0.2750 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.4210 -0.3610 0.3070 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.1450 0.4170 0.5710 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3230 -1.4010 1.4030 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.8690 -2.3220 1.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4330 -0.6760 2.3950 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.9870 0.0770 2.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5670 0.0010 1.6080 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0940 -1.7270 3.3840 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2830 -1.6270 3.7860 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5630 -1.7550 2.0080 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2620 -2.2760 2.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7870 -0.9370 -0.9500 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9180 -1.1910 -1.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7550 -0.7060 -0.6360 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3630 1.7100 -0.8700 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.7120 1.7990 -0.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0270 2.2710 0.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3840 -0.0090 -0.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8020 -2.5720 3.7290 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 17 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 2 3 1 0 0 0 0 2 9 1 0 0 0 0 2 16 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 14 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 12 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 10 11 2 0 0 0 0 10 21 1 0 0 0 0 12 13 1 0 0 0 0 14 15 1 0 0 0 0 16 20 1 0 0 0 0 M CHG 1 17 -1 M CHG 1 21 -1 M END