NIH-ZINC04039079 MOE2007 3D CORINA 3.40 0006 02.08.2006 59 63 0 0 1 0 0 0 0 0999 V2000 1.4970 0.2950 0.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3270 -0.6140 0.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6670 -0.8550 1.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4420 -1.8620 0.6360 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5800 -2.5150 1.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1680 -3.4670 0.3790 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6060 -3.7990 -0.9200 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5130 -3.1680 -1.3890 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8870 -2.1560 -0.6050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1670 -1.4130 -0.8470 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9100 -0.2790 2.5090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5580 1.1730 2.7500 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5300 1.2800 3.8420 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9580 0.2910 4.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1560 1.7160 5.0540 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4470 2.1310 4.8310 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2360 2.6230 5.6180 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7180 1.8880 3.3840 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7560 2.2200 2.8360 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4580 1.7340 6.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9620 3.1310 6.7530 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3050 4.7620 8.6250 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3500 4.8980 10.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3620 4.0530 10.7020 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1060 2.6740 10.4210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0970 2.4140 8.9150 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6520 2.2390 3.4880 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9840 1.8200 3.6010 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9970 2.7190 3.3030 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7800 3.9910 2.9150 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4930 4.3810 2.8080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4110 3.5580 3.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4020 -0.9250 3.4350 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0240 0.2060 1.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2090 0.0410 -0.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1900 1.3330 0.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9600 -2.2290 2.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0520 -3.9950 0.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0950 -4.5730 -1.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0890 -3.4110 -2.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3120 1.4150 7.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2650 0.9950 6.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9530 3.3340 6.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2680 3.9010 6.3970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4920 5.3580 8.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2620 5.0390 8.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5930 5.9300 10.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3820 4.6530 10.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9000 2.0870 10.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1560 2.3790 10.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0600 2.6710 8.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8400 1.3730 8.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2410 0.8110 3.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0420 2.4300 3.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3490 5.4100 2.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4070 3.9580 2.9790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3040 1.6890 1.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0490 3.3020 8.2560 N 0 3 0 0 0 0 0 0 0 0 0 0 0.1280 3.0580 8.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 2 3 2 0 0 0 0 2 10 1 0 0 0 0 3 4 1 0 0 0 0 3 11 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 5 6 2 0 0 0 0 5 37 1 0 0 0 0 6 7 1 0 0 0 0 6 38 1 0 0 0 0 7 8 2 0 0 0 0 7 39 1 0 0 0 0 8 9 1 0 0 0 0 8 40 1 0 0 0 0 9 10 2 0 0 0 0 11 12 1 0 0 0 0 11 33 2 0 0 0 0 12 13 1 0 0 0 0 12 18 1 0 0 0 0 12 57 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 27 1 0 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 2 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 21 58 1 0 0 0 0 22 23 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 22 58 1 0 0 0 0 23 24 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 26 51 1 0 0 0 0 26 52 1 0 0 0 0 26 58 1 0 0 0 0 27 28 1 0 0 0 0 27 32 2 0 0 0 0 28 29 2 0 0 0 0 28 53 1 0 0 0 0 29 30 1 0 0 0 0 29 54 1 0 0 0 0 30 31 2 0 0 0 0 31 32 1 0 0 0 0 31 55 1 0 0 0 0 32 56 1 0 0 0 0 58 59 1 0 0 0 0 M CHG 1 58 1 M END