PUBCHEM-ZINC06213758 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 44 0 0 1 0 0 0 0 0999 V2000 -0.2080 1.1820 0.4560 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0390 -0.2630 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5790 -0.4150 -1.3890 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0160 0.1630 -2.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4700 -1.9360 -1.7160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5690 -2.5630 -1.6000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9840 0.0180 -1.4230 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6300 -0.7610 -1.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4140 1.3000 -1.6580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6700 2.2500 -1.9040 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9340 1.4860 -1.5460 C 0 0 3 0 0 0 0 0 0 0 0 0 4.4360 0.6520 -2.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2970 1.5600 -0.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0650 1.2740 0.2880 S 0 0 0 0 0 0 0 0 0 0 0 0 6.5410 1.8530 -0.8330 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2350 2.7270 -2.2700 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4390 3.3430 -2.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4800 3.0820 -2.7310 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4870 2.3960 -2.5850 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4930 4.4330 -3.4210 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9070 4.8410 -3.8360 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9330 6.2450 -4.4420 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3110 6.6450 -4.9540 C 0 0 3 0 0 0 0 0 0 0 0 0 8.7060 5.9270 -5.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3230 8.0630 -5.5820 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2490 8.7380 -5.0050 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7580 1.6660 0.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7680 1.7610 -0.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7600 1.2200 1.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5750 -0.7900 0.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0280 -0.7360 0.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0320 2.5420 0.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7440 0.8150 0.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8400 4.3790 -4.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0750 5.1750 -2.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5680 4.7970 -2.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2970 4.1170 -4.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2160 6.2860 -5.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5830 6.9740 -3.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6730 -2.3490 -2.0560 O 0 5 0 0 0 0 0 0 0 0 0 0 7.4970 8.3300 -6.4800 O 0 5 0 0 0 0 0 0 0 0 0 0 9.3130 6.6910 -3.8170 N 0 3 0 0 0 0 0 0 0 0 0 0 10.0870 6.0280 -3.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9060 6.7140 -2.8790 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7020 7.6740 -3.9970 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 30 1 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 7 1 0 0 0 0 5 6 2 0 0 0 0 5 40 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 16 1 0 0 0 0 13 14 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 15 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 1 0 0 0 0 20 21 1 0 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 21 22 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 22 23 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 42 1 0 0 0 0 25 26 2 0 0 0 0 25 41 1 0 0 0 0 42 43 1 0 0 0 0 42 44 1 0 0 0 0 42 45 1 0 0 0 0 M CHG 1 40 -1 M CHG 1 41 -1 M CHG 1 42 1 M END