PUBCHEM-ZINC02047864 MOE2007 3D CORINA 3.40 0006 02.08.2006 34 35 0 0 0 0 0 0 0 0999 V2000 0.4600 1.3870 -0.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3460 -0.1030 -0.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7200 -0.7420 1.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6420 -2.1320 1.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2000 -2.9090 0.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1590 -2.2680 -1.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0820 -0.8780 -1.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0990 -4.4100 0.2730 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3050 -4.8420 0.2220 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6440 -6.4570 -0.1420 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.0890 -6.5710 -0.1180 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8900 -6.8400 -1.3170 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1250 -7.5610 1.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8440 -8.2470 2.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0050 -9.0160 2.9690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3280 -8.8920 2.6340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5530 -7.8560 1.2920 S 0 0 0 0 0 0 0 0 0 0 0 0 1.8230 -9.6160 3.3570 S 0 0 0 0 0 0 0 0 0 0 0 0 2.5320 -8.4110 3.7710 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2330 -10.4060 4.4320 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5120 -10.4600 2.2020 N 0 5 0 0 0 0 0 0 0 0 0 0 2.7890 -9.8010 1.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4550 1.6560 -0.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2920 1.7770 -0.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2940 1.8770 0.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0740 -0.1600 1.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9310 -2.6010 2.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5060 -2.8530 -1.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3610 -0.4050 -2.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6810 -4.8580 -0.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5360 -4.7380 1.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9030 -4.4470 0.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9230 -8.1960 2.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3450 -9.6320 3.7920 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 7 2 0 0 0 0 3 4 2 0 0 0 0 3 26 1 0 0 0 0 4 5 1 0 0 0 0 4 27 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 28 1 0 0 0 0 7 29 1 0 0 0 0 8 9 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 9 10 1 0 0 0 0 9 32 1 0 0 0 0 10 11 2 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 13 14 2 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 14 33 1 0 0 0 0 15 16 2 0 0 0 0 15 34 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 2 0 0 0 0 18 21 1 0 0 0 0 21 22 1 0 0 0 0 M CHG 1 21 -1 M END