IBS-ZINC04312246 MOE2007 3D CORINA 3.40 0006 02.08.2006 43 46 0 0 1 0 0 0 0 0999 V2000 0.6450 -0.5780 2.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5720 -1.4880 1.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6150 -1.6030 0.3470 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7490 -0.7970 0.4930 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8150 0.1200 1.5470 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7630 0.2230 2.4330 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8670 -0.9140 -0.4570 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0860 -0.0440 -0.2960 C 0 0 3 0 0 0 0 0 0 0 0 0 6.0930 -0.7010 0.6630 C 0 0 3 0 0 0 0 0 0 0 0 0 6.2960 -0.0360 1.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3180 -0.9290 -0.1040 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1900 -0.5080 -1.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0620 -0.5830 -2.2080 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8360 0.0660 -1.6080 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4180 0.5260 -2.6430 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5310 -1.5420 0.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4710 -3.0350 0.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9290 -3.7100 -0.8180 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6690 -5.0790 -0.5810 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0670 -5.1590 0.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9550 -3.9190 1.1220 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5460 -2.0120 1.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0960 -2.1320 2.4710 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6010 -3.3570 2.8900 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5720 -4.4120 1.9970 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0080 -4.2620 0.7610 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4800 -3.1100 0.3270 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8060 -1.7110 -1.3690 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1770 -0.4890 2.9770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3040 -2.1090 1.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5570 -2.3140 -0.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6870 0.7460 1.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8130 0.9310 3.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4040 -1.1440 -0.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6050 -1.3150 1.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4040 -3.2870 -1.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9070 -5.9030 -1.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7350 -6.0680 1.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1320 -1.2900 3.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2430 -3.4860 3.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1880 -5.3700 2.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8230 -3.0230 -0.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8030 0.9440 0.0670 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 29 1 0 0 0 0 2 3 2 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 3 31 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 32 1 0 0 0 0 6 33 1 0 0 0 0 7 8 1 0 0 0 0 7 28 2 0 0 0 0 8 9 1 0 0 0 0 8 14 1 0 0 0 0 8 43 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 22 1 0 0 0 0 11 12 1 0 0 0 0 11 16 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 2 0 0 0 0 16 17 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 17 18 2 0 0 0 0 17 21 1 0 0 0 0 18 19 1 0 0 0 0 18 36 1 0 0 0 0 19 20 2 0 0 0 0 19 37 1 0 0 0 0 20 21 1 0 0 0 0 20 38 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 39 1 0 0 0 0 24 25 1 0 0 0 0 24 40 1 0 0 0 0 25 26 2 0 0 0 0 25 41 1 0 0 0 0 26 27 1 0 0 0 0 27 42 1 0 0 0 0 M END