NIH-ZINC04001636 MOE2007 3D CORINA 3.40 0006 02.08.2006 67 70 0 0 0 0 0 0 0 0999 V2000 -0.1950 1.6300 0.4480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1990 0.2020 0.3870 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4790 -0.4590 1.3620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5170 -1.8450 1.3640 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2070 -2.5150 2.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8580 -1.8040 3.3470 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8220 -0.4220 3.3470 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1390 0.2530 2.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7370 -2.6600 4.6110 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8080 -1.7760 5.7210 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1660 -3.9590 4.6880 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2910 -2.8640 4.0760 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0810 -1.7470 3.7770 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9610 -0.5940 4.5280 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7510 0.5190 4.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6590 0.4620 3.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7750 -0.6900 2.4180 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9940 -1.7990 2.7210 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1200 -2.9640 1.9660 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8110 -2.7110 0.5510 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9020 -4.0260 -0.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2040 -4.5900 -0.0510 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5380 -4.8500 1.3150 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4630 -3.5440 2.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6260 1.7530 5.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8360 1.8020 5.9480 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3890 2.8250 4.7340 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2650 4.0500 5.5270 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7110 5.2620 4.6840 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2020 6.5210 5.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7180 6.8170 6.6300 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8990 6.0230 7.6110 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5500 4.6720 7.9650 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1520 3.9590 6.7390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8300 1.9940 0.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7710 2.0300 -0.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6430 1.9550 1.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0080 -2.4010 0.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2360 -3.5940 2.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3310 0.1320 4.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1140 1.3320 2.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6550 -3.7570 3.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2580 -0.5520 5.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2700 1.3210 2.9310 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4770 -0.7320 1.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8020 -2.3060 0.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5260 -1.9960 0.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1500 -4.7220 0.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7300 -3.8330 -1.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8330 -5.5700 1.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5480 -5.2540 1.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2050 -2.8420 1.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6610 -3.7470 3.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0190 2.7860 3.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2280 4.1820 5.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8000 5.3000 4.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3510 5.1330 3.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5100 7.3290 4.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1130 6.4800 5.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7660 6.5260 6.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6140 7.8810 6.8430 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7790 6.6060 8.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9150 5.8380 7.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3410 4.8440 8.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7960 4.0250 8.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3080 2.9080 6.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1150 4.4120 6.5060 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 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 38 1 0 0 0 0 5 6 1 0 0 0 0 5 39 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 40 1 0 0 0 0 8 41 1 0 0 0 0 9 10 2 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 12 13 1 0 0 0 0 12 42 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 43 1 0 0 0 0 15 16 1 0 0 0 0 15 25 1 0 0 0 0 16 17 2 0 0 0 0 16 44 1 0 0 0 0 17 18 1 0 0 0 0 17 45 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 24 1 0 0 0 0 20 21 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 21 22 1 0 0 0 0 21 48 1 0 0 0 0 21 49 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 50 1 0 0 0 0 23 51 1 0 0 0 0 24 52 1 0 0 0 0 24 53 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 27 54 1 0 0 0 0 28 29 1 0 0 0 0 28 34 1 0 0 0 0 28 55 1 0 0 0 0 29 30 1 0 0 0 0 29 56 1 0 0 0 0 29 57 1 0 0 0 0 30 31 1 0 0 0 0 30 58 1 0 0 0 0 30 59 1 0 0 0 0 31 32 1 0 0 0 0 31 60 1 0 0 0 0 31 61 1 0 0 0 0 32 33 1 0 0 0 0 32 62 1 0 0 0 0 32 63 1 0 0 0 0 33 34 1 0 0 0 0 33 64 1 0 0 0 0 33 65 1 0 0 0 0 34 66 1 0 0 0 0 34 67 1 0 0 0 0 M END