IBS-ZINC04029344 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 57 0 0 1 0 0 0 0 0999 V2000 0.9390 1.9350 -1.7940 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2320 0.5110 -2.2690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6950 -0.4750 -1.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2140 -0.0780 -0.2230 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7490 -1.7970 -1.5200 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1200 -2.7680 -0.6120 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8600 -3.5000 -0.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0180 -3.4790 -1.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5340 -3.8780 -2.7260 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1070 -4.8530 -3.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2220 -5.6910 -3.5390 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4760 -6.5070 -4.6140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6730 -6.5080 -5.7430 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5630 -5.6890 -5.8610 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2820 -4.8490 -4.7850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7100 -3.9350 -4.5730 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4180 -3.7240 -5.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5520 -3.3600 -3.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4350 -2.3060 -2.7200 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5930 -1.4930 -3.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7580 -2.9140 -2.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0970 -4.1750 -2.7860 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3150 -4.7350 -2.4310 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1930 -4.0290 -1.6220 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8540 -2.7690 -1.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6380 -2.2070 -1.5290 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3070 -0.9640 -1.0890 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2610 -0.2920 -0.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6480 -5.9760 -2.8760 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9180 -6.4910 -2.4710 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4330 -2.0480 0.5910 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5930 -1.7100 0.6130 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1380 2.0700 -1.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4190 2.1030 -0.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3270 2.6480 -2.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7520 0.3440 -3.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3090 0.3760 -2.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3150 -4.3690 -0.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8690 -2.8050 -1.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8540 -5.6980 -2.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3290 -7.1680 -4.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9200 -7.1710 -6.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0560 -5.7000 -6.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4130 -4.7250 -3.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1420 -4.4650 -1.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5380 -2.2200 -0.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4440 -0.8820 0.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1940 -0.1690 -0.8130 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8740 0.6870 0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0580 -7.4860 -2.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7080 -5.8300 -2.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9570 -6.5490 -1.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3630 -1.7840 1.6390 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0370 -1.3200 2.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 2 36 1 0 0 0 0 2 37 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 19 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 31 1 0 0 0 0 8 9 1 0 0 0 0 8 38 1 0 0 0 0 8 39 1 0 0 0 0 9 10 1 0 0 0 0 9 18 2 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 40 1 0 0 0 0 12 13 1 0 0 0 0 12 41 1 0 0 0 0 13 14 2 0 0 0 0 13 42 1 0 0 0 0 14 15 1 0 0 0 0 14 43 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 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 29 1 0 0 0 0 24 25 2 0 0 0 0 24 45 1 0 0 0 0 25 26 1 0 0 0 0 25 46 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 47 1 0 0 0 0 28 48 1 0 0 0 0 28 49 1 0 0 0 0 29 30 1 0 0 0 0 30 50 1 0 0 0 0 30 51 1 0 0 0 0 30 52 1 0 0 0 0 31 32 2 0 0 0 0 31 53 1 0 0 0 0 53 54 1 0 0 0 0 M END