PUBCHEM-ZINC01084529 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 42 0 0 0 0 0 0 0 0999 V2000 -0.1590 1.4040 0.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1380 -0.0280 -0.0120 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5770 -0.8310 1.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7220 -2.0700 0.4980 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4000 -2.0720 -0.7470 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0240 -0.8350 -1.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4960 -0.3540 -2.6750 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.5220 -1.9190 -3.4850 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7340 -2.5720 -3.7350 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7540 -3.7990 -4.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5930 -4.4210 -4.7770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6580 -3.8180 -4.5550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7260 -2.5580 -3.9140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9040 -1.9790 -3.7050 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0240 -2.5500 -4.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0320 -3.7830 -4.7300 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8520 -4.4380 -4.9640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6640 -5.7370 -5.4530 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.6350 -5.9870 -6.3060 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2450 -6.6560 -5.2010 O 0 5 0 0 0 0 0 0 0 0 0 0 0.8440 -0.4190 2.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9130 -1.3790 3.4050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1650 -0.9820 4.6980 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3500 0.3610 4.9930 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2840 1.3160 3.9900 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0380 0.9380 2.6890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7610 1.9740 -0.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8670 1.6720 -0.7180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5930 1.6330 1.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6620 -2.1120 -3.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7030 -4.2830 -4.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9620 -2.0480 -3.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9680 -4.2280 -5.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8380 -5.3980 -5.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7690 -2.4250 3.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2180 -1.7180 5.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5470 0.6640 6.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 2.3590 4.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9910 1.6830 1.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 6 1 0 0 0 0 3 4 2 0 0 0 0 3 21 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 30 1 0 0 0 0 10 11 2 0 0 0 0 10 31 1 0 0 0 0 11 12 1 0 0 0 0 11 18 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 32 1 0 0 0 0 16 17 1 0 0 0 0 16 33 1 0 0 0 0 17 34 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 35 1 0 0 0 0 23 24 1 0 0 0 0 23 36 1 0 0 0 0 24 25 2 0 0 0 0 24 37 1 0 0 0 0 25 26 1 0 0 0 0 25 38 1 0 0 0 0 26 39 1 0 0 0 0 M CHG 1 18 1 M CHG 1 20 -1 M END