IFLAB-ZINC02690403 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 57 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.4250 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6260 -0.6190 1.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2090 0.1450 2.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8440 -0.4610 3.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9110 -1.8500 3.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3230 -2.6240 2.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6750 -1.9960 1.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5560 -4.0240 2.5210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2600 -4.0230 3.7110 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4690 -2.7110 4.1040 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9400 -2.4390 4.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 -5.2690 4.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2400 -5.3060 5.3340 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2710 -6.4120 3.6620 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5870 -6.3890 2.5040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1670 -7.8680 1.7500 S 0 0 0 0 0 0 0 0 0 0 0 0 1.2250 -5.2280 1.9270 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7320 -5.2360 1.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6430 -7.6990 4.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5480 -8.1610 5.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5180 -8.9450 4.6910 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4870 -9.3730 5.5340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4640 -9.0120 6.8820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5780 -8.2210 7.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5800 -7.8050 6.5160 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5380 -9.4660 7.7900 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4440 -10.1540 7.3640 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5130 -9.1160 9.0920 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5770 -9.5660 9.9920 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3150 -9.0420 11.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7530 -7.8710 11.8750 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2780 -7.7840 13.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5800 -8.9090 13.4420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6100 -9.6700 12.3360 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8020 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 1.7860 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7760 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1620 1.2230 2.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2930 0.1420 3.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2190 -2.5870 0.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7850 -8.4350 3.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5710 -7.5860 4.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5010 -9.2230 3.6470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2910 -9.9840 5.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6020 -7.9390 8.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3890 -7.1960 6.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7890 -8.5670 9.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5360 -9.1890 9.6370 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6000 -10.6550 10.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3510 -7.1360 11.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4450 -6.9720 13.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0820 -9.1590 14.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 39 1 0 0 0 0 5 6 1 0 0 0 0 5 40 1 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 41 1 0 0 0 0 9 10 2 0 0 0 0 9 18 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 20 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 20 21 1 0 0 0 0 20 42 1 0 0 0 0 20 43 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 44 1 0 0 0 0 23 24 1 0 0 0 0 23 45 1 0 0 0 0 24 25 2 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 25 46 1 0 0 0 0 26 47 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 29 30 1 0 0 0 0 29 48 1 0 0 0 0 30 31 1 0 0 0 0 30 49 1 0 0 0 0 30 50 1 0 0 0 0 31 32 2 0 0 0 0 31 35 1 0 0 0 0 32 33 1 0 0 0 0 32 51 1 0 0 0 0 33 34 2 0 0 0 0 33 52 1 0 0 0 0 34 35 1 0 0 0 0 34 53 1 0 0 0 0 M END