PUBCHEM-ZINC06318097 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 46 0 0 1 0 0 0 0 0999 V2000 -0.5530 -3.2240 1.7410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5050 -2.7030 0.8180 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5750 -2.2430 1.1900 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0950 -2.8340 -0.4700 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0090 -2.3200 -1.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4850 -2.7040 -2.8130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0310 -1.7960 -3.7120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4030 -2.1990 -4.9360 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1420 -3.4990 -5.5140 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8950 -3.6020 -5.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1640 -3.1100 -6.6190 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.1610 -3.5610 -6.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1040 -1.6890 -5.9670 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5370 -0.5960 -6.2460 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6700 -3.1460 -8.0200 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1090 -4.2770 -8.5780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0430 -5.3300 -7.9650 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3230 -4.1060 -10.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8460 -4.0890 -10.9730 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1970 -2.9150 -11.6530 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2900 -2.9020 -12.5220 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0410 -4.0590 -12.7190 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7010 -5.2310 -12.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6080 -5.2480 -11.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6800 -4.7620 -4.3350 S 0 0 0 0 0 0 0 0 0 0 0 0 0.4960 -4.2060 -3.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0550 -0.2950 -3.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1150 0.0420 -2.7190 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.4790 -2.6620 1.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7160 -4.2890 1.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2250 -3.0970 2.7770 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1060 -1.2400 -1.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.7700 -1.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7590 -2.3140 -8.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9100 -3.1830 -10.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 -4.9270 -10.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6260 -2.0000 -11.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5560 -1.9870 -13.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8920 -4.0470 -13.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2880 -6.1330 -12.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3570 -6.1710 -10.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5070 -4.5210 -3.3390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2250 -4.7460 -2.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9770 0.3810 -3.6010 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 32 1 0 0 0 0 5 33 1 0 0 0 0 6 7 2 0 0 0 0 6 26 1 0 0 0 0 7 8 1 0 0 0 0 7 27 1 0 0 0 0 8 9 1 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 25 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 15 1 0 0 0 0 13 14 2 0 0 0 0 15 16 1 0 0 0 0 15 34 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 37 1 0 0 0 0 21 22 1 0 0 0 0 21 38 1 0 0 0 0 22 23 2 0 0 0 0 22 39 1 0 0 0 0 23 24 1 0 0 0 0 23 40 1 0 0 0 0 24 41 1 0 0 0 0 25 26 1 0 0 0 0 26 42 1 0 0 0 0 26 43 1 0 0 0 0 27 28 1 0 0 0 0 27 44 2 0 0 0 0 M CHG 1 28 -1 M END