NIH-ZINC04355815 MOE2007 3D CORINA 3.40 0006 02.08.2006 64 66 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7180 -0.4980 -1.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7390 -2.0270 -1.2650 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2790 -2.4050 -1.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3340 -2.5140 -2.5610 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3350 -3.1980 -2.5500 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7530 -2.1900 -3.7330 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3310 -2.6640 -4.9930 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4860 -2.1590 -6.1640 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.5580 -2.4440 -6.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0270 -2.7180 -7.4990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8430 -1.5520 -8.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2120 -0.4270 -7.6460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6030 -0.7250 -6.2870 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5480 -2.5110 -0.1440 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9620 -2.1380 -0.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0910 -0.8590 0.7400 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2470 -0.7680 2.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3250 0.6100 2.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2120 1.2770 1.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0760 0.3820 0.2280 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9930 -3.2980 0.7980 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1770 -3.6070 0.7180 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8260 -3.7960 1.9510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9970 -4.6260 2.8290 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7110 -5.6030 3.9600 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6540 -6.2420 4.6630 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7360 -6.3170 3.2830 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5190 -4.5540 5.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8380 -4.1060 6.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4700 -3.2830 7.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7870 -2.9070 6.9460 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4680 -3.3560 5.8270 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8350 -4.1830 4.9190 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4070 -2.1020 7.8360 F 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1910 -0.1360 -2.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7410 -0.1200 -1.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0480 -1.6430 -3.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3490 -2.2860 -5.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3460 -3.7540 -4.9990 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0820 -2.9760 -7.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4470 -3.5850 -7.8130 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8060 -1.2350 -8.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1710 -1.8430 -9.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6030 0.5440 -7.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8740 -0.4450 -7.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5130 -2.9320 0.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3690 -1.9920 -1.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3020 -1.5890 2.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4510 1.0420 3.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2310 2.3510 1.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6580 -4.3880 1.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2120 -2.9460 2.5130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0310 -4.6030 2.7490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8100 -4.3990 6.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9380 -2.9330 8.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4950 -3.0630 5.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3680 -4.5370 4.0480 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 40 1 0 0 0 0 2 41 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 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 16 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 44 1 0 0 0 0 9 10 1 0 0 0 0 9 45 1 0 0 0 0 9 46 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 15 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 49 1 0 0 0 0 13 50 1 0 0 0 0 14 15 1 0 0 0 0 14 51 1 0 0 0 0 14 52 1 0 0 0 0 16 17 1 0 0 0 0 16 23 1 0 0 0 0 17 18 1 0 0 0 0 17 53 1 0 0 0 0 17 54 1 0 0 0 0 18 19 2 0 0 0 0 18 22 1 0 0 0 0 19 20 1 0 0 0 0 19 55 1 0 0 0 0 20 21 2 0 0 0 0 20 56 1 0 0 0 0 21 22 1 0 0 0 0 21 57 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 25 58 1 0 0 0 0 25 59 1 0 0 0 0 26 27 1 0 0 0 0 26 60 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 61 1 0 0 0 0 32 33 1 0 0 0 0 32 62 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 63 1 0 0 0 0 35 64 1 0 0 0 0 M END