NIH-ZINC04302288 MOE2007 3D CORINA 3.40 0006 02.08.2006 70 71 0 0 1 0 0 0 0 0999 V2000 -0.5580 -0.7890 2.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2060 -1.7110 1.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3990 -0.9700 -0.1870 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2480 -0.3830 0.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5980 0.0260 -0.7950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9250 -1.9270 -1.2840 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2640 -1.3440 -2.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0710 -2.8220 -0.7790 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8120 -3.9830 -0.4360 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3520 -2.2940 -0.7150 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4310 -3.0910 -0.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9620 -2.3910 1.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3920 -0.9420 0.8140 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2980 -0.1760 0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7680 -0.9620 -1.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6870 -0.1900 2.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4420 -0.6520 3.2190 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2040 1.0640 1.8870 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3640 2.0970 2.9220 C 0 0 3 0 0 0 0 0 0 0 0 0 5.7190 1.8350 3.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8350 2.2050 3.3890 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0070 3.2840 4.4670 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3620 0.8740 3.9390 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9040 3.4650 2.3290 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3840 3.7280 1.1840 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1640 -2.8430 -1.7270 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4020 -3.0870 -3.3820 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.4260 -4.0990 -3.5310 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5240 -1.7930 -4.0210 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1360 -3.8020 -3.9010 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3350 -5.1750 -3.7490 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5380 -5.7440 -4.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5400 -4.9480 -4.7430 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3130 -3.5750 -4.9110 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1110 -3.0000 -4.4950 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8160 -5.5710 -5.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3060 -0.1880 2.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3800 -0.1150 1.9320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8760 -1.3810 3.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5110 -2.4510 1.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1070 -2.2610 0.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1760 0.5050 -1.6850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5320 -0.4670 -1.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8430 0.8250 -0.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0910 -4.0980 0.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2190 -3.1940 -0.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1750 -2.3980 1.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8080 -2.9540 1.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3090 -0.9630 0.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4700 0.0520 0.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6780 0.7890 -0.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5510 -1.0890 -1.9030 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9590 -0.4040 -1.6170 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4760 1.3730 0.9570 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4670 2.4810 2.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3640 3.0860 5.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0440 3.3200 4.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7660 4.2790 4.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3840 0.1020 3.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3870 0.9850 4.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7420 0.5130 4.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1950 -3.7100 -1.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5700 -5.8080 -3.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6880 -6.8150 -4.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0740 -2.9440 -5.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9550 -1.9320 -4.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7040 -5.8890 -6.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6470 -4.8610 -5.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0830 -6.4400 -4.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0910 4.1210 3.0380 O 0 5 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 40 1 0 0 0 0 2 41 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 5 42 1 0 0 0 0 5 43 1 0 0 0 0 5 44 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 26 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 10 15 1 0 0 0 0 11 12 1 0 0 0 0 11 45 1 0 0 0 0 11 46 1 0 0 0 0 12 13 1 0 0 0 0 12 47 1 0 0 0 0 12 48 1 0 0 0 0 13 14 1 0 0 0 0 13 16 1 0 0 0 0 13 49 1 0 0 0 0 14 15 1 0 0 0 0 14 50 1 0 0 0 0 14 51 1 0 0 0 0 15 52 1 0 0 0 0 15 53 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 54 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 24 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 55 1 0 0 0 0 22 56 1 0 0 0 0 22 57 1 0 0 0 0 22 58 1 0 0 0 0 23 59 1 0 0 0 0 23 60 1 0 0 0 0 23 61 1 0 0 0 0 24 25 2 0 0 0 0 24 70 1 0 0 0 0 26 27 1 0 0 0 0 26 62 1 0 0 0 0 27 28 2 0 0 0 0 27 29 2 0 0 0 0 27 30 1 0 0 0 0 30 31 1 0 0 0 0 30 35 2 0 0 0 0 31 32 2 0 0 0 0 31 63 1 0 0 0 0 32 33 1 0 0 0 0 32 64 1 0 0 0 0 33 34 2 0 0 0 0 33 36 1 0 0 0 0 34 35 1 0 0 0 0 34 65 1 0 0 0 0 35 66 1 0 0 0 0 36 67 1 0 0 0 0 36 68 1 0 0 0 0 36 69 1 0 0 0 0 M CHG 1 70 -1 M END