NIH-ZINC04040062 MOE2007 3D CORINA 3.40 0006 02.08.2006 67 69 0 0 1 0 0 0 0 0999 V2000 0.2590 0.1160 -0.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1810 -1.2810 -0.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3800 -1.8810 1.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7520 -3.1980 0.9060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7940 -3.4040 -0.4500 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0320 -4.2770 -0.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4570 -2.2580 -1.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3970 -2.1650 -2.5800 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1290 -1.1580 -3.2220 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6880 -3.3840 -3.1280 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6440 -3.4140 -4.5580 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0320 -4.2970 1.8650 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1810 -1.2660 2.3710 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1580 -0.8870 3.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6650 -0.9600 3.1150 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.9430 -2.0130 3.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1240 -0.2820 4.3350 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0940 0.1050 5.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1480 0.6350 6.2630 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8210 -0.2540 4.4870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3100 -0.0530 4.9070 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5300 -0.0450 4.6780 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2380 -1.2680 5.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0770 -3.5450 4.6650 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2350 -1.5470 3.7590 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2830 -0.3600 1.8700 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8920 0.9080 1.4100 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4880 1.4690 0.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5070 0.7910 -0.3890 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9390 -0.4600 0.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3030 -1.0410 1.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7080 -2.2490 1.7070 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6440 -3.3170 0.7540 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9850 -1.1560 -0.4870 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5620 -0.6450 -1.6820 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1600 -1.0730 2.6640 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2270 0.1140 -0.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4710 0.6260 -1.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3650 0.7050 0.4510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8840 -4.4300 -4.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3890 -2.7300 -4.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3590 -3.1620 -4.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9710 -4.1140 2.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1150 -5.2640 1.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2280 -4.3760 2.6040 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5420 0.7420 5.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0500 0.3640 3.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5200 -1.9050 5.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0230 -0.9640 5.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7050 -3.5590 5.5600 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0830 -3.9490 4.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5400 -4.1090 3.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0650 -0.5390 3.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9220 -1.5340 4.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6180 -2.1840 2.9570 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1190 1.4760 1.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1670 2.4470 -0.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9550 1.2820 -1.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6370 -3.4990 0.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9120 -3.1410 -0.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3440 -4.2210 1.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3270 -1.3540 -2.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0560 0.3150 -1.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8160 -0.5640 -2.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2370 -0.6590 3.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9150 -2.1180 4.2150 N 0 3 0 0 0 0 0 0 0 0 0 0 -5.3150 -2.1490 3.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 1 39 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 40 1 0 0 0 0 11 41 1 0 0 0 0 11 42 1 0 0 0 0 12 43 1 0 0 0 0 12 44 1 0 0 0 0 12 45 1 0 0 0 0 13 14 2 0 0 0 0 13 36 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 46 1 0 0 0 0 22 47 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 23 66 1 0 0 0 0 24 50 1 0 0 0 0 24 51 1 0 0 0 0 24 52 1 0 0 0 0 24 66 1 0 0 0 0 25 53 1 0 0 0 0 25 54 1 0 0 0 0 25 55 1 0 0 0 0 25 66 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 56 1 0 0 0 0 28 29 1 0 0 0 0 28 57 1 0 0 0 0 29 30 2 0 0 0 0 29 58 1 0 0 0 0 30 31 1 0 0 0 0 30 34 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 59 1 0 0 0 0 33 60 1 0 0 0 0 33 61 1 0 0 0 0 34 35 1 0 0 0 0 35 62 1 0 0 0 0 35 63 1 0 0 0 0 35 64 1 0 0 0 0 36 65 1 0 0 0 0 66 67 1 0 0 0 0 M CHG 1 66 1 M END