IFLAB-ZINC00955639 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 43 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3750 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2220 -0.6820 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4160 0.0420 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3830 1.4200 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1700 2.0860 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1420 3.5930 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1460 4.0740 1.3940 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3250 4.3180 2.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3740 4.7450 3.2480 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2530 4.9690 3.9670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0100 4.7410 3.3870 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0210 4.2770 2.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0830 4.0650 1.4780 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0860 5.0340 4.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7010 5.4600 5.5030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0460 5.5380 5.6180 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.5100 4.8720 3.9230 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3770 4.1620 4.7530 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7020 4.0140 4.3980 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1710 4.5680 3.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3140 5.2730 2.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9890 5.4320 2.7400 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8390 4.3780 2.7770 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.2500 -2.1590 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2100 -2.7860 -0.0140 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9600 1.9010 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9250 -0.5580 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3640 -0.4770 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3060 1.9820 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0200 3.9760 -0.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2400 3.9420 -0.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2480 4.1520 1.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3780 5.7220 6.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0120 3.7300 5.6730 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3750 3.4650 5.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6850 5.7030 1.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3220 5.9860 2.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4290 -2.8110 -0.0360 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3970 -3.7770 -0.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 27 1 0 0 0 0 2 3 2 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 25 1 0 0 0 0 4 5 2 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 31 1 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 8 13 1 0 0 0 0 9 10 2 0 0 0 0 9 33 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 17 1 0 0 0 0 12 13 1 0 0 0 0 12 15 1 0 0 0 0 13 14 2 0 0 0 0 15 16 2 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 16 34 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 35 1 0 0 0 0 20 21 1 0 0 0 0 20 36 1 0 0 0 0 21 22 2 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 22 37 1 0 0 0 0 23 38 1 0 0 0 0 25 26 2 0 0 0 0 25 39 1 0 0 0 0 39 40 1 0 0 0 0 M END