NIH-ZINC05235329 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 56 0 0 1 0 0 0 0 0999 V2000 0.0880 -0.0090 1.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2500 0.5070 3.4320 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7930 2.0820 1.9170 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6750 2.6870 3.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9260 4.1650 2.7060 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7710 4.7430 3.7540 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2860 5.3740 4.9850 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.6630 6.2350 4.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5090 5.8200 5.7530 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6180 5.4470 4.9720 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1140 4.7870 3.7370 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8130 4.3490 2.8470 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7870 5.6350 5.2550 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5320 6.4610 6.9720 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3870 6.6330 7.6660 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8090 6.9600 7.5190 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2050 6.6450 8.8260 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4070 7.1340 9.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1780 7.8850 8.5340 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.8440 8.2050 7.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6580 7.7660 6.7490 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4990 4.3790 5.7980 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9300 3.0690 5.8940 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2100 2.1540 6.6390 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0570 2.5470 7.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3790 3.8610 7.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3430 4.7760 6.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5120 4.2500 7.8360 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2070 3.2540 8.5890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2550 -1.0580 1.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0420 0.4710 0.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5600 0.0620 0.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2360 0.9440 3.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3540 -0.5530 3.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2460 1.0140 4.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2950 2.1740 0.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1580 2.6130 1.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6270 2.1560 3.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1730 2.5950 3.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9750 4.6950 2.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4280 4.2560 1.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5040 7.0930 8.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5790 6.0300 9.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7210 6.8970 10.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5070 8.8230 6.7120 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3890 8.0350 5.7380 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8320 2.7600 5.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5490 1.1320 6.7130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5050 1.8330 7.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0040 5.7980 6.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5510 2.8640 9.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5080 2.4420 7.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0910 3.6960 9.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5520 0.6630 2.2100 N 0 0 0 0 0 0 0 0 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 54 1 0 0 0 0 2 33 1 0 0 0 0 2 34 1 0 0 0 0 2 35 1 0 0 0 0 2 54 1 0 0 0 0 3 4 1 0 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 3 54 1 0 0 0 0 4 5 1 0 0 0 0 4 38 1 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 5 41 1 0 0 0 0 6 7 1 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 7 22 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 1 0 0 0 0 10 13 2 0 0 0 0 11 12 2 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 15 42 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 43 1 0 0 0 0 18 19 1 0 0 0 0 18 44 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 20 45 1 0 0 0 0 21 46 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 47 1 0 0 0 0 24 25 1 0 0 0 0 24 48 1 0 0 0 0 25 26 2 0 0 0 0 25 49 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 27 50 1 0 0 0 0 28 29 1 0 0 0 0 29 51 1 0 0 0 0 29 52 1 0 0 0 0 29 53 1 0 0 0 0 M END