NCID-ZINC05329738 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 48 0 0 1 0 0 0 0 0999 V2000 -0.5480 0.0100 0.5440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4390 -0.3730 1.4500 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7870 -0.1930 1.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1570 0.3790 -0.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1540 0.7560 -0.9980 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1920 0.5760 -0.6790 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6110 0.5460 -0.4530 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9690 -0.5110 -1.3480 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3000 -0.6160 -1.6010 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1530 0.1460 -1.1700 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5070 -1.7100 -2.3760 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7910 -2.2700 -2.8330 C 0 0 3 0 0 0 0 0 0 0 0 0 7.5480 -2.1040 -2.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2220 -1.7530 -4.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0730 -0.1280 -4.1940 S 0 0 0 0 0 0 0 0 0 0 0 0 9.9640 -0.5850 -3.4990 S 0 0 0 0 0 0 0 0 0 0 0 0 10.8580 -1.2280 -4.9760 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4400 -0.1460 -5.8980 C 0 0 3 0 0 0 0 0 0 0 0 0 12.1230 0.5160 -5.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2250 -0.9650 -6.9630 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4850 -1.4560 -7.8710 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3910 0.6520 -6.5520 N 0 0 0 0 0 0 0 0 0 0 0 0 10.1710 1.9810 -6.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8390 2.7060 -5.5760 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9960 2.5650 -7.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6350 -3.7930 -3.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4360 -4.1590 -3.3150 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5960 -0.1360 0.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1600 -0.8170 2.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5470 -0.5110 1.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4220 1.1810 -1.9630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9640 0.8700 -1.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7640 1.5150 -0.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2300 0.5130 0.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6960 -2.2570 -2.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8820 -2.4510 -4.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3390 -1.6270 -4.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6740 -1.8460 -4.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1880 -1.9080 -5.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8580 0.1210 -7.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9190 2.1560 -8.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0720 2.4000 -6.5170 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4780 -1.0100 -6.8180 O 0 5 0 0 0 0 0 0 0 0 0 0 9.1750 4.0410 -7.2070 N 0 3 0 0 0 0 0 0 0 0 0 0 8.3320 4.5280 -7.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9520 4.2530 -7.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4590 4.4210 -6.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6970 -4.4740 -3.0660 O 0 5 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 28 1 0 0 0 0 2 3 2 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 7 33 1 0 0 0 0 7 34 1 0 0 0 0 8 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 35 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 26 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 22 1 0 0 0 0 20 21 2 0 0 0 0 20 43 1 0 0 0 0 22 23 1 0 0 0 0 22 40 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 25 44 1 0 0 0 0 26 27 2 0 0 0 0 26 48 1 0 0 0 0 44 45 1 0 0 0 0 44 46 1 0 0 0 0 44 47 1 0 0 0 0 M CHG 1 43 -1 M CHG 1 44 1 M CHG 1 48 -1 M END