NIH-ZINC03043672 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 52 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3820 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 1.1990 -0.6920 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3960 0.0100 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3780 1.4150 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1630 2.0970 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6670 2.1290 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7080 3.3440 -0.0150 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8030 1.3980 -0.0360 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7680 0.0560 -0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2490 -0.8020 -0.0610 S 0 0 0 0 0 0 0 0 0 0 0 0 3.6200 -0.6420 -0.0360 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6480 -1.6120 -0.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0980 2.0830 -0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5620 2.3140 1.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8950 3.0190 1.3860 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4210 3.3080 0.3320 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5010 3.3280 2.5490 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8020 4.0150 2.5630 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7570 3.2310 3.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1370 3.0480 4.7870 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9120 2.2430 4.6930 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8780 2.9920 3.8380 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0360 2.4840 5.6860 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6350 2.2310 6.9940 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5400 1.6700 7.8780 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8190 1.3790 7.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1480 1.6570 6.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9610 1.9060 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9290 -0.5520 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2040 -1.7720 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1450 3.1760 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8300 1.4690 -0.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9980 3.0420 -0.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8300 2.9280 1.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6620 1.3550 1.9030 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2050 4.0550 1.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6770 5.0260 2.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9620 2.2570 3.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6900 3.7840 3.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1420 1.2820 4.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5070 2.0790 5.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5720 3.9070 4.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0090 2.3560 3.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6320 2.4700 7.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2570 1.4630 8.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5480 0.9410 8.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1420 1.4320 5.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2630 2.1880 5.2880 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 29 1 0 0 0 0 2 3 2 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 3 31 1 0 0 0 0 4 5 2 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 6 32 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 14 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 14 15 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 16 1 0 0 0 0 15 35 1 0 0 0 0 15 36 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 23 1 0 0 0 0 19 20 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 20 21 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 0 0 0 0 21 22 1 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0 23 43 1 0 0 0 0 23 44 1 0 0 0 0 24 25 1 0 0 0 0 24 49 2 0 0 0 0 25 26 2 0 0 0 0 25 45 1 0 0 0 0 26 27 1 0 0 0 0 26 46 1 0 0 0 0 27 28 2 0 0 0 0 27 47 1 0 0 0 0 28 48 1 0 0 0 0 28 49 1 0 0 0 0 M END