PUBCHEM-ZINC04818017 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 40 0 0 0 0 0 0 0 0999 V2000 -0.6890 1.6230 0.6110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4720 0.1460 0.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2800 -0.6830 1.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0810 -2.0380 1.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0740 -2.5640 0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2680 -1.7360 -1.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4710 -0.3820 -0.8720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1800 -4.2910 -0.2100 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6780 -4.4440 -1.5330 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8730 -4.7580 0.9390 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3090 -5.0150 -0.1850 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2740 -4.6630 -1.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8920 -4.3560 -2.4330 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8470 -4.0100 -3.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1840 -3.9690 -3.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5720 -4.2740 -1.7260 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6210 -4.6270 -0.7830 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0020 -4.9330 0.4870 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4000 -4.8750 0.7770 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2020 -3.5970 -4.0260 N 0 3 0 0 0 0 0 0 0 0 0 0 -6.1620 -2.9210 -3.7020 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0800 -3.9670 -5.1800 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.4310 -3.6750 -4.7800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2730 2.1360 0.6010 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3170 2.0130 -0.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1790 1.7880 1.5710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2840 -0.2710 2.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0700 -2.6850 2.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2620 -2.1480 -2.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6250 0.2650 -1.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5120 -5.6820 0.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8490 -4.3860 -2.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6160 -4.2420 -1.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7670 -3.8650 0.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9340 -5.5760 0.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5660 -5.1410 1.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5410 -4.5580 -5.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0610 -2.8730 -5.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3900 -3.3530 -4.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 27 1 0 0 0 0 4 5 1 0 0 0 0 4 28 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 29 1 0 0 0 0 7 30 1 0 0 0 0 8 9 2 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 11 31 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 13 32 1 0 0 0 0 14 15 1 0 0 0 0 14 23 1 0 0 0 0 15 16 2 0 0 0 0 15 20 1 0 0 0 0 16 17 1 0 0 0 0 16 33 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 34 1 0 0 0 0 19 35 1 0 0 0 0 19 36 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 23 37 1 0 0 0 0 23 38 1 0 0 0 0 23 39 1 0 0 0 0 M CHG 1 20 1 M CHG 1 22 -1 M END