NIH-ZINC04039421 MOE2007 3D CORINA 3.40 0006 02.08.2006 67 69 0 0 1 0 0 0 0 0999 V2000 -1.1940 1.4200 0.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4120 0.1530 0.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1820 -0.5570 1.3030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8370 -1.6610 0.7970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6090 -1.6710 -0.5550 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9500 -2.3720 -1.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1680 -0.5970 -0.9330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6220 -0.3720 -2.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2410 0.6040 -2.6920 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2730 -1.4460 -3.0580 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6840 -1.3530 -4.4240 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6300 -2.7370 1.4450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 -0.2730 2.6910 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0760 -0.6230 3.3620 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3000 -1.3440 2.8590 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.6930 -0.8480 1.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2760 -1.1250 3.9240 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7270 -0.6000 5.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2560 -0.4020 6.1540 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3020 -0.2770 4.7640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4770 0.2100 5.5240 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6910 -1.4370 3.7690 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0270 -2.9010 4.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2040 -2.9720 2.7840 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8330 -4.4930 4.7070 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0710 -2.8250 2.6150 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3810 -3.3830 1.3670 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2240 -4.7540 1.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7570 -5.5930 2.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4210 -5.0440 3.3960 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5770 -3.6730 3.6220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6760 -6.9150 1.8220 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3250 -7.8290 2.8620 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4530 -9.2130 2.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4790 -10.1320 2.3160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0860 0.3950 3.2660 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8080 2.1500 -0.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2480 1.2290 0.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1390 1.8790 1.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3480 -2.2570 -4.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7750 -1.2990 -4.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2200 -0.4860 -4.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2210 -3.7210 1.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6700 -2.6990 1.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6270 -2.6430 2.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2510 -0.7910 4.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9810 -1.1640 2.7490 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6210 -3.5890 3.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6320 -3.1750 5.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7450 -3.6590 2.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0900 -1.9340 2.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2670 -3.1940 2.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3930 -4.5370 5.7070 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4090 -5.2620 4.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9200 -4.5940 4.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7470 -2.7590 0.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4730 -5.1730 0.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0330 -5.6500 4.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3110 -3.2840 4.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2990 -7.6380 3.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0200 -7.7350 3.7050 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4130 -9.4730 1.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 -9.9300 2.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6450 -11.1180 1.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8930 0.5370 4.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5250 -3.1390 4.1180 N 0 3 0 0 0 0 0 0 0 0 0 0 -6.9310 -2.4470 4.7620 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 32 1 0 0 0 0 30 31 1 0 0 0 0 30 58 1 0 0 0 0 31 59 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 33 60 1 0 0 0 0 33 61 1 0 0 0 0 34 35 2 0 0 0 0 34 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