NIH-ZINC06531095 MOE2007 3D CORINA 3.40 0006 02.08.2006 62 66 0 0 0 0 0 0 0 0999 V2000 0.3840 1.4740 0.5900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0300 0.0800 0.3950 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0720 -0.8100 1.4500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2530 -2.1290 1.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6570 -2.6830 0.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9420 -3.8590 -0.1420 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6870 -1.7350 -0.9540 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9750 -2.0570 -1.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3600 -0.3860 -0.8610 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4280 0.3200 -1.8670 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0920 -2.6770 2.5530 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3580 -1.6640 3.3850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4390 -0.5200 2.7240 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7250 -1.8160 4.8260 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5260 -2.1030 6.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0420 -2.0980 6.8360 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6200 -0.8420 6.3590 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3950 -0.5300 4.9460 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8890 -0.4860 4.6530 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3200 0.0170 7.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1880 -0.4710 8.1790 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9080 0.3900 9.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7730 1.7690 8.8930 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9160 2.2860 7.9270 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2060 1.4180 7.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3540 1.9640 6.2100 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.3540 -4.0610 2.9090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8800 -4.9430 2.7250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6230 -6.3550 3.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0740 -7.2470 2.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3310 -8.5500 2.7840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1030 -8.9740 4.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7940 -8.0950 4.8690 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0530 -6.7890 4.4460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4170 1.5340 0.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2980 2.0460 -0.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2870 1.9120 1.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2980 -0.9900 5.4070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3490 -2.7520 5.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0980 -3.0860 6.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0160 -1.3340 7.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1870 -2.2490 7.9110 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5210 -2.9380 6.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8700 0.4020 4.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8570 -1.3210 4.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3900 0.3210 5.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7420 -0.3730 3.5770 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3460 -1.5410 8.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5810 -0.0220 9.7680 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3320 2.4370 9.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7880 3.3580 7.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7110 -4.0820 3.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1940 -4.4140 2.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1920 -4.9540 1.6730 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 -4.5260 3.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4200 -6.9330 1.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8700 -9.2360 2.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0980 -9.9910 4.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1320 -8.4280 5.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5950 -6.1230 5.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2270 -1.8040 5.0860 N 0 3 0 0 0 0 0 0 0 0 0 0 2.6470 -2.5490 4.5170 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 2 3 1 0 0 0 0 2 9 1 0 0 0 0 3 4 2 0 0 0 0 3 13 1 0 0 0 0 4 5 1 0 0 0 0 4 11 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 11 12 1 0 0 0 0 11 27 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 14 61 1 0 0 0 0 15 16 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 15 61 1 0 0 0 0 16 17 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 18 1 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 19 61 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 48 1 0 0 0 0 22 23 1 0 0 0 0 22 49 1 0 0 0 0 23 24 2 0 0 0 0 23 50 1 0 0 0 0 24 25 1 0 0 0 0 24 51 1 0 0 0 0 25 26 1 0 0 0 0 27 28 1 0 0 0 0 27 52 1 0 0 0 0 27 53 1 0 0 0 0 28 29 1 0 0 0 0 28 54 1 0 0 0 0 28 55 1 0 0 0 0 29 30 1 0 0 0 0 29 34 2 0 0 0 0 30 31 2 0 0 0 0 30 56 1 0 0 0 0 31 32 1 0 0 0 0 31 57 1 0 0 0 0 32 33 2 0 0 0 0 32 58 1 0 0 0 0 33 34 1 0 0 0 0 33 59 1 0 0 0 0 34 60 1 0 0 0 0 61 62 1 0 0 0 0 M CHG 1 61 1 M END