NIH-ZINC06498806 MOE2007 3D CORINA 3.40 0006 02.08.2006 69 71 0 0 1 0 0 0 0 0999 V2000 -1.0310 4.0650 2.9120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8880 4.3160 1.4210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4870 3.0000 -0.6900 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7650 2.1870 -0.7950 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4070 3.3780 0.9520 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1690 2.0540 0.8070 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5560 2.1660 1.2440 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6740 2.4610 0.3470 C 0 0 3 0 0 0 0 0 0 0 0 0 4.4600 3.4500 -0.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8750 2.5780 1.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4260 2.2070 2.6150 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9400 2.0120 2.5600 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2320 1.8040 3.5310 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0800 2.0840 3.6390 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1090 2.9480 0.9070 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3470 3.3100 -0.4100 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2720 3.0160 1.7330 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3710 2.0970 1.7380 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3170 2.6010 2.6270 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7940 3.7640 3.1530 N 0 0 0 0 0 0 0 0 0 0 0 0 10.2720 4.3260 3.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5680 4.0450 2.6050 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8140 5.2660 2.9870 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6200 2.0790 2.9830 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1460 1.0690 2.5300 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2030 2.9050 3.9050 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5060 2.4950 4.3240 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4960 0.8430 0.9420 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8290 1.4240 -0.7570 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7230 1.8540 -2.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8750 0.9570 -3.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1280 -0.3840 -2.8840 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2360 -0.8320 -1.5670 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0980 0.0620 -0.4990 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1920 -0.3040 0.8190 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7770 -1.5690 1.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0650 4.0490 3.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6330 4.8580 3.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5340 3.1110 3.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8810 4.3480 0.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3700 5.2560 1.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3230 2.4630 -1.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5840 3.9920 -1.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6470 1.2060 -0.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6150 2.6900 -0.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0170 2.0230 -1.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5660 3.7860 1.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7390 4.1250 0.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6890 1.2960 1.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1470 1.6860 -0.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2950 3.5300 -0.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0040 5.0110 3.6760 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4610 6.0000 3.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3790 5.7440 2.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1960 2.4850 3.4750 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8700 3.2210 5.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4630 1.5110 4.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3200 0.9280 0.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6920 -0.0100 1.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5840 0.6210 0.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5360 2.9010 -2.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8030 1.3040 -4.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2480 -1.0860 -3.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4240 -1.8900 -1.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1080 -2.3830 0.8130 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7610 -1.6720 0.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9200 -1.6300 2.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0990 3.1850 0.7690 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.3600 2.3210 1.2670 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 40 1 0 0 0 0 2 41 1 0 0 0 0 2 68 1 0 0 0 0 3 4 1 0 0 0 0 3 42 1 0 0 0 0 3 43 1 0 0 0 0 3 68 1 0 0 0 0 4 44 1 0 0 0 0 4 45 1 0 0 0 0 4 46 1 0 0 0 0 5 6 1 0 0 0 0 5 47 1 0 0 0 0 5 48 1 0 0 0 0 5 68 1 0 0 0 0 6 7 1 0 0 0 0 6 49 1 0 0 0 0 6 50 1 0 0 0 0 7 8 1 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 29 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 1 0 0 0 0 11 14 2 0 0 0 0 12 13 2 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 16 51 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 28 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 22 1 0 0 0 0 22 23 1 0 0 0 0 23 52 1 0 0 0 0 23 53 1 0 0 0 0 23 54 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 27 55 1 0 0 0 0 27 56 1 0 0 0 0 27 57 1 0 0 0 0 28 58 1 0 0 0 0 28 59 1 0 0 0 0 28 60 1 0 0 0 0 29 30 1 0 0 0 0 29 34 2 0 0 0 0 30 31 2 0 0 0 0 30 61 1 0 0 0 0 31 32 1 0 0 0 0 31 62 1 0 0 0 0 32 33 2 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 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 65 1 0 0 0 0 36 66 1 0 0 0 0 36 67 1 0 0 0 0 68 69 1 0 0 0 0 M CHG 1 68 1 M END