PUBCHEM-ZINC04577538 MOE2007 3D CORINA 3.40 0006 02.08.2006 80 80 0 0 1 0 0 0 0 0999 V2000 -0.1090 0.4100 1.8120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5140 -1.0600 1.6890 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8700 -1.3490 0.3410 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1870 -2.7230 0.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9660 -2.8370 -1.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1370 -2.0050 -1.2050 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1540 -2.4120 -0.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3340 -1.4460 -0.3960 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0700 -0.3810 -1.9140 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6660 1.0920 -1.8450 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2780 1.4180 -0.5140 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9320 2.7910 -0.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1680 2.9350 0.9590 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0020 2.0970 1.0180 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9500 2.5170 0.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7820 1.5380 0.2690 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9770 2.6850 2.4260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2180 3.3960 1.8050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1760 3.8500 0.6640 O 0 0 0 0 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0 0 0 0 29 31 1 0 0 0 0 31 32 1 0 0 0 0 31 70 1 0 0 0 0 32 33 1 0 0 0 0 32 34 1 0 0 0 0 32 37 1 0 0 0 0 34 35 1 0 0 0 0 34 71 1 0 0 0 0 34 72 1 0 0 0 0 35 36 2 0 0 0 0 35 79 1 0 0 0 0 37 38 2 0 0 0 0 37 80 1 0 0 0 0 73 74 1 0 0 0 0 75 76 1 0 0 0 0 M CHG 1 73 1 M CHG 1 75 1 M CHG 1 77 -1 M CHG 1 78 -1 M CHG 1 79 -1 M CHG 1 80 -1 M END