NIH-ZINC04001774 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 50 0 0 0 0 0 0 0 0999 V2000 -0.1940 1.6900 -0.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2600 0.1880 -0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4080 -0.4120 1.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4690 -1.7900 1.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3810 -2.5720 0.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2330 -1.9790 -1.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1770 -0.5940 -1.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0320 0.0100 -2.4110 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7590 -0.6570 -3.7410 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.5470 0.2520 -4.8120 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3490 -2.0170 -3.7830 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4940 -0.6700 -3.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2690 0.4130 -3.8090 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6300 0.4050 -3.5710 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2190 -0.6900 -2.9560 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4400 -1.7750 -2.5820 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0800 -1.7650 -2.8280 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5570 -0.6990 -2.7200 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0950 -1.8600 -2.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5820 -1.6910 -1.9050 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1270 -0.6770 -2.2860 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.3060 -2.6680 -1.3220 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.7520 -2.5040 -1.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3190 -3.7280 -0.4780 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4460 -3.9090 0.8490 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0210 -5.1880 1.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2100 -5.7110 -0.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7890 -4.8200 -1.1020 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8430 2.0150 -0.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6010 2.0040 -1.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7780 2.1370 0.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4770 0.1960 2.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5840 -2.2570 2.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4270 -3.6480 0.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1640 -2.5900 -1.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4940 0.8190 -2.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8100 1.2650 -4.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2340 1.2520 -3.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8960 -2.6290 -2.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4740 -2.6110 -2.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9010 -2.7370 -2.7010 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6250 -1.9910 -1.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8700 -3.4790 -1.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9460 -1.6270 -0.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2220 -2.3730 -2.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1630 -3.2130 1.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2610 -5.6550 1.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6340 -6.6810 -0.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 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 32 1 0 0 0 0 4 5 1 0 0 0 0 4 33 1 0 0 0 0 5 6 2 0 0 0 0 5 34 1 0 0 0 0 6 7 1 0 0 0 0 6 35 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 36 1 0 0 0 0 9 10 2 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 37 1 0 0 0 0 14 15 1 0 0 0 0 14 38 1 0 0 0 0 15 16 2 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 16 39 1 0 0 0 0 17 40 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 43 1 0 0 0 0 23 24 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 24 25 2 0 0 0 0 24 28 1 0 0 0 0 25 26 1 0 0 0 0 25 46 1 0 0 0 0 26 27 2 0 0 0 0 26 47 1 0 0 0 0 27 28 1 0 0 0 0 27 48 1 0 0 0 0 M END