NIH-ZINC04039871 MOE2007 3D CORINA 3.40 0006 02.08.2006 63 65 0 0 1 0 0 0 0 0999 V2000 -0.3030 1.4580 0.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1160 -0.0210 0.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1420 -0.9010 1.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0870 -2.1860 0.7670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2200 -2.1130 -0.5950 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3730 -2.9000 -1.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1280 -0.8090 -1.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2800 -0.4170 -2.4170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2410 0.7270 -2.8550 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4970 -1.5300 -3.1820 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6740 -1.2630 -4.5760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1880 -3.4830 1.4860 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2760 -0.5400 2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3140 -0.7790 3.4030 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3950 -0.4400 4.8780 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.3290 0.6480 5.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7570 -0.8210 5.2610 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4870 -1.3650 4.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6430 -1.7530 4.2400 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5960 -1.3910 3.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9450 -1.8430 1.9450 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2980 -0.6370 6.6040 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8270 0.7820 6.8390 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4530 2.4470 8.5970 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5060 0.2020 8.6420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3690 -1.1480 5.7420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4830 -0.4000 6.5670 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3930 -1.0420 7.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4730 -2.4360 7.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6440 -3.1880 6.6110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2700 -2.5490 5.7680 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3890 -2.9340 8.3280 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5120 -4.3490 8.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8350 0.1160 3.1050 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6260 1.9590 -0.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0900 1.7500 -0.6010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5910 1.8260 1.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2230 -0.7930 -4.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5540 -0.6320 -4.7350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8340 -2.2170 -5.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8090 -3.8590 1.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6940 -4.2390 0.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7580 -3.3700 2.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1140 -1.3570 6.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5280 -0.8910 7.3390 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0320 1.5110 6.6470 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6800 1.0150 6.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2510 2.8420 7.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5060 2.9570 8.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7090 2.5360 9.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2810 -0.8630 8.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3130 0.4920 7.9630 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7650 0.4340 9.6780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4470 0.6870 6.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0450 -0.4510 8.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6780 -4.2720 6.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9110 -3.1620 5.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5760 -4.8130 8.7220 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8420 -4.7610 7.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2790 -4.5840 9.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5270 0.0960 2.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2680 0.9830 8.2810 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.5110 0.6520 8.8950 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 7 2 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 12 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 12 43 1 0 0 0 0 13 14 2 0 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 14 20 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 26 1 0 0 0 0 17 18 1 0 0 0 0 17 22 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 2 0 0 0 0 22 23 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 23 62 1 0 0 0 0 24 48 1 0 0 0 0 24 49 1 0 0 0 0 24 50 1 0 0 0 0 24 62 1 0 0 0 0 25 51 1 0 0 0 0 25 52 1 0 0 0 0 25 53 1 0 0 0 0 25 62 1 0 0 0 0 26 27 1 0 0 0 0 26 31 2 0 0 0 0 27 28 2 0 0 0 0 27 54 1 0 0 0 0 28 29 1 0 0 0 0 28 55 1 0 0 0 0 29 30 2 0 0 0 0 29 32 1 0 0 0 0 30 31 1 0 0 0 0 30 56 1 0 0 0 0 31 57 1 0 0 0 0 32 33 1 0 0 0 0 33 58 1 0 0 0 0 33 59 1 0 0 0 0 33 60 1 0 0 0 0 34 61 1 0 0 0 0 62 63 1 0 0 0 0 M CHG 1 62 1 M END