PUBCHEM-ZINC04789467 MOE2007 3D CORINA 3.40 0006 02.08.2006 32 33 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6960 -0.4840 1.1650 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8140 -1.2460 0.6890 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5370 -2.2980 0.6230 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0340 -1.0960 1.5740 C 0 0 3 0 0 0 0 0 0 0 0 0 3.8120 -1.7790 1.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5650 0.3380 1.5260 C 0 0 3 0 0 0 0 0 0 0 0 0 4.4790 0.4130 2.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8640 0.6860 0.0620 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5930 -0.0170 -0.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6510 0.5960 -0.6810 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0610 -0.6870 -0.7260 C 0 0 3 0 0 0 0 0 0 0 0 0 2.6200 -1.3770 -1.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6910 -0.4720 -1.1720 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4200 2.1090 -0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7040 2.4370 -1.4240 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1850 3.3050 -1.9140 N 0 3 0 0 0 0 0 0 0 0 0 0 3.6650 4.1730 -2.4040 N 0 5 0 0 0 0 0 0 0 0 0 0 2.5810 1.2350 2.0450 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6820 -1.4220 2.9200 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4320 -0.5380 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6860 2.8110 0.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3390 2.1760 0.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8540 2.1630 2.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4140 -1.3490 3.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9570 -0.1680 -0.8790 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4140 -1.6280 -0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9460 -0.1990 0.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 15 1 0 0 0 0 2 22 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 13 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 21 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 20 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 16 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 16 17 1 0 0 0 0 16 26 1 0 0 0 0 16 27 1 0 0 0 0 17 18 2 0 0 0 0 18 19 2 0 0 0 0 20 28 1 0 0 0 0 21 29 1 0 0 0 0 22 30 1 0 0 0 0 22 31 1 0 0 0 0 22 32 1 0 0 0 0 M CHG 1 18 1 M CHG 1 19 -1 M END