NIH-ZINC04042849 MOE2007 3D CORINA 3.40 0006 02.08.2006 65 68 0 0 1 0 0 0 0 0999 V2000 2.6870 -0.1560 -0.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3490 -0.6670 0.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2890 -1.6210 1.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 -2.1330 1.6410 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1190 -1.6580 1.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0710 -0.7000 0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1580 -0.2110 -0.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3170 0.6990 -1.4200 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8540 1.2050 -2.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4160 2.1080 -3.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1800 1.5610 -4.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6010 2.3870 -5.3710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4340 3.7670 -5.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1500 4.3220 -4.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5730 3.4970 -3.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -3.1870 2.6530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0580 -4.4830 2.3270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1830 -5.1710 0.9880 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.6190 -4.8290 0.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1010 -6.5730 1.3000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2110 -6.8350 2.6510 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3730 -7.9050 3.2080 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1010 -5.5230 3.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1580 -5.3310 4.5580 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2670 -7.6010 0.2770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9640 -8.5090 0.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4300 -9.3750 -2.1910 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7550 -10.7610 -0.6150 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5420 -5.0140 0.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6390 -4.4620 -0.9470 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8920 -4.3370 -1.5270 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0390 -4.7270 -0.9330 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9320 -5.2450 0.3070 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7270 -5.4080 0.9750 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1510 -2.7270 3.9450 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8520 -0.4250 -1.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7360 0.9320 -0.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5060 -0.5850 0.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2090 -1.9730 1.6770 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0860 -2.0300 1.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0140 -0.3620 -0.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4540 0.3900 -2.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4640 1.7640 -1.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3250 0.4850 -4.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0640 1.9530 -6.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7640 4.4120 -6.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2750 5.3990 -4.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0190 3.9470 -2.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1260 -8.2140 0.5770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5210 -7.1090 -0.6670 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8120 -7.9820 -0.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2690 -8.8950 1.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3140 -8.8610 -2.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4560 -8.7390 -2.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2470 -10.3040 -2.7370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8300 -11.0430 0.4390 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6930 -10.3320 -0.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4650 -11.6310 -1.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7620 -4.1170 -1.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0090 -3.9030 -2.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8710 -5.5390 0.7680 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7290 -5.8360 1.9730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1800 -3.4970 4.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6700 -9.7210 -0.7450 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.1890 -10.1610 -0.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 1 38 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 39 1 0 0 0 0 4 5 1 0 0 0 0 4 16 1 0 0 0 0 5 6 2 0 0 0 0 5 40 1 0 0 0 0 6 7 1 0 0 0 0 6 41 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 42 1 0 0 0 0 9 43 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 44 1 0 0 0 0 12 13 1 0 0 0 0 12 45 1 0 0 0 0 13 14 2 0 0 0 0 13 46 1 0 0 0 0 14 15 1 0 0 0 0 14 47 1 0 0 0 0 15 48 1 0 0 0 0 16 17 2 0 0 0 0 16 35 1 0 0 0 0 17 18 1 0 0 0 0 17 23 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 29 1 0 0 0 0 20 21 1 0 0 0 0 20 25 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 2 0 0 0 0 25 26 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 26 51 1 0 0 0 0 26 52 1 0 0 0 0 26 64 1 0 0 0 0 27 53 1 0 0 0 0 27 54 1 0 0 0 0 27 55 1 0 0 0 0 27 64 1 0 0 0 0 28 56 1 0 0 0 0 28 57 1 0 0 0 0 28 58 1 0 0 0 0 28 64 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 59 1 0 0 0 0 31 32 1 0 0 0 0 31 60 1 0 0 0 0 32 33 2 0 0 0 0 33 34 1 0 0 0 0 33 61 1 0 0 0 0 34 62 1 0 0 0 0 35 63 1 0 0 0 0 64 65 1 0 0 0 0 M CHG 1 64 1 M END