NIH-ZINC04039871 MOE2007 3D CORINA 3.40 0006 02.08.2006 63 65 0 0 1 0 0 0 0 0999 V2000 -0.4340 1.3600 0.6150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8900 1.0860 1.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3770 -0.1960 1.6850 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6620 0.0070 2.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9260 1.3490 2.0900 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7800 1.7970 2.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8800 2.0270 1.5100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8920 3.4510 1.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9940 4.0970 0.7170 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0830 3.9810 1.6570 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2140 5.3870 1.4310 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6910 -0.9300 2.6990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6960 -1.4770 1.5360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6580 -2.3680 2.7030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6090 -3.8570 2.4860 C 0 0 3 0 0 0 0 0 0 0 0 0 1.4750 -4.1850 1.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8090 -4.3320 3.8500 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7680 -3.3070 4.7660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 -3.3640 5.9800 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6660 -2.0450 4.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6530 -0.8220 4.5930 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0650 -5.7210 4.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5680 -5.9650 4.4010 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5660 -8.4580 3.9970 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -7.4300 5.4810 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6930 -4.3670 1.8930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6880 -5.0150 0.6500 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8830 -5.4590 0.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1050 -5.2640 0.7210 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1200 -4.6290 1.9620 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9260 -4.1860 2.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1970 -5.7340 0.0440 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4740 -5.4330 0.5950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2150 -1.8310 0.4670 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1140 0.5090 0.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9210 2.2160 1.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3080 1.5790 -0.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1570 5.6080 0.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4450 5.9360 1.9830 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1950 5.6990 1.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5930 -1.9200 2.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7010 -0.5670 2.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5970 -1.0340 3.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5350 -5.9320 5.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6520 -6.3650 3.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1250 -5.8620 3.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9690 -5.2410 5.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1730 -8.3100 3.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 -8.4440 3.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8160 -9.4040 4.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4010 -6.6590 6.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9560 -7.2760 4.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4080 -8.4180 5.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2410 -5.1620 0.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8630 -5.9470 -0.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0450 -4.4570 2.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9770 -3.6850 3.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6120 -5.9310 1.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6240 -4.3520 0.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2330 -5.8210 -0.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6990 -0.9820 5.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8560 -7.3430 4.9640 N 0 3 0 0 0 0 0 0 0 0 0 0 2.2440 -7.4770 5.7810 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 1 0 0 0 0 13 34 2 0 0 0 0 14 15 1 0 0 0 0 14 20 2 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 1 0 0 0 0 21 61 1 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 62 63 1 0 0 0 0 M CHG 1 62 1 M END