PUBCHEM-ZINC06098163 MOE2007 3D CORINA 3.40 0006 02.08.2006 35 36 0 0 1 0 0 0 0 0999 V2000 -0.9290 2.4800 0.9640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5320 1.0070 0.8400 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0570 0.6800 1.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4310 0.8410 -0.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1480 0.1220 -1.2350 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6050 1.4930 -0.2960 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4830 1.2860 -1.4340 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7290 0.1990 0.5930 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0740 -0.7560 1.4410 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4310 -1.0050 2.4440 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2930 -1.4930 1.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8810 -2.5130 1.7520 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2010 -3.1240 2.9040 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9300 -3.4800 4.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2840 -4.0520 5.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9190 -4.2730 5.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1900 -3.9230 3.9500 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8220 -3.3560 2.8640 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2340 -4.8880 6.2340 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.8720 -5.1970 7.2240 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0320 -5.0840 6.1970 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.8180 -0.7400 -0.4390 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.4830 0.4240 -0.4880 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2090 1.6100 -1.6930 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.0390 3.0810 1.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4040 2.8070 0.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6260 2.6000 1.7940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9790 1.6050 -2.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3950 1.8690 -1.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7370 0.2290 -1.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8500 -2.8780 1.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9960 -3.3080 4.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8460 -4.3280 6.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1250 -4.0980 3.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2530 -3.0880 1.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 7 28 1 0 0 0 0 7 29 1 0 0 0 0 7 30 1 0 0 0 0 8 9 1 0 0 0 0 8 23 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 11 22 1 0 0 0 0 12 13 1 0 0 0 0 12 31 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 32 1 0 0 0 0 15 16 1 0 0 0 0 15 33 1 0 0 0 0 16 17 2 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 17 34 1 0 0 0 0 18 35 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 M CHG 1 19 1 M CHG 1 21 -1 M END