NIH-ZINC04058444 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 42 0 0 1 0 0 0 0 0999 V2000 -1.4490 -0.4880 -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 0.0320 1.5230 -0.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6760 -0.4450 1.3030 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0880 -0.1200 2.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8410 -1.9540 1.3220 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3920 -2.2830 2.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4200 -2.8000 1.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1630 -4.0570 0.4520 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3030 -3.7650 -0.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5900 -2.3080 0.0020 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0890 -1.7850 -0.8120 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9620 -1.7620 0.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0530 -2.4020 -0.4460 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3140 -1.8440 -0.3390 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4840 -0.6400 0.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3980 0.0060 0.8740 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1270 -0.5490 0.7780 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0450 0.1090 1.3820 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7050 -2.6690 -1.0390 S 0 0 0 0 0 0 0 0 0 0 0 0 7.8460 -2.2040 -0.3310 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3530 -4.0430 -1.1290 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8660 -2.1250 -2.5950 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7650 -0.7150 1.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0890 0.2920 -0.4230 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5280 -1.3850 -0.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5350 -0.4330 -0.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4090 1.9520 0.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0630 1.8610 -0.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5390 1.8420 -0.9670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9040 -3.0370 2.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1120 -2.2980 0.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2880 -5.0380 0.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9370 -4.4680 -0.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9230 -3.3420 -0.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4680 -0.2030 0.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5360 0.9470 1.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1960 0.9390 1.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7430 -2.0870 -3.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0820 -1.8440 -3.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 27 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 19 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 8 9 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 9 10 2 0 0 0 0 9 33 1 0 0 0 0 10 11 1 0 0 0 0 10 34 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 17 2 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 18 19 1 0 0 0 0 19 38 1 0 0 0 0 20 21 2 0 0 0 0 20 22 2 0 0 0 0 20 23 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 M END