NIH-ZINC03006954 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 58 0 0 0 0 0 0 0 0999 V2000 -0.0130 1.0860 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0160 1.0910 2.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5060 1.9000 3.6350 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0270 1.9010 3.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7370 1.5620 2.5330 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4580 1.6690 2.8560 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.2060 2.1740 4.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8700 2.2570 4.7420 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3420 2.6660 6.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1190 3.8410 6.2730 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1030 1.7400 6.9970 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2180 2.4620 5.3650 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.5080 2.3490 4.9900 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7830 1.9940 3.8610 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5860 2.6560 5.9530 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9230 2.5400 5.5680 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9260 2.8280 6.4710 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6080 3.2320 7.7560 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2850 3.3500 8.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2730 3.0590 7.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8940 3.5980 8.9030 S 0 0 0 0 0 0 0 0 0 0 0 0 -10.3310 4.4720 9.8710 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.0400 3.9290 8.1290 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.2580 2.1910 9.6970 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.5620 1.8220 10.9400 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6150 1.4640 11.9960 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5100 0.4900 11.4560 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.2550 0.9430 10.3230 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2910 1.2770 9.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1120 1.1470 1.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0100 1.4630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5400 1.4470 -0.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0600 1.2250 2.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2360 0.0350 2.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1490 1.4420 4.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1380 2.9240 3.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2810 0.8040 6.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7540 2.0110 7.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9980 2.7460 6.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1720 2.2260 4.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9600 2.7380 6.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0440 3.6660 9.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2410 3.1460 7.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9180 0.9620 10.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9630 2.6630 11.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1220 1.0560 12.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1730 2.3590 12.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9420 0.1610 10.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8200 1.8360 10.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8360 1.7570 8.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8230 0.3610 8.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1770 0.0650 1.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6370 1.6320 0.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7000 1.5600 1.2170 N 0 0 0 0 0 0 0 0 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 55 1 0 0 0 0 2 3 1 0 0 0 0 2 34 1 0 0 0 0 2 35 1 0 0 0 0 2 55 1 0 0 0 0 3 4 1 0 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 4 5 2 0 0 0 0 4 8 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 12 13 1 0 0 0 0 12 40 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 41 1 0 0 0 0 17 18 1 0 0 0 0 17 42 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 43 1 0 0 0 0 20 44 1 0 0 0 0 21 22 2 0 0 0 0 21 23 2 0 0 0 0 21 24 1 0 0 0 0 24 25 1 0 0 0 0 24 29 1 0 0 0 0 25 26 1 0 0 0 0 25 45 1 0 0 0 0 25 46 1 0 0 0 0 26 27 1 0 0 0 0 26 47 1 0 0 0 0 26 48 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 28 49 1 0 0 0 0 28 50 1 0 0 0 0 29 51 1 0 0 0 0 29 52 1 0 0 0 0 30 53 1 0 0 0 0 30 54 1 0 0 0 0 30 55 1 0 0 0 0 M END