NIH-ZINC04057652 MOE2007 3D CORINA 3.40 0006 02.08.2006 62 65 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.4250 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6250 -0.6180 1.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2060 0.1420 2.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8400 -0.4760 3.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8980 -1.8700 3.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3130 -2.6360 2.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6750 -2.0100 1.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1010 -2.7520 0.1130 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1900 -4.1730 0.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5770 -2.5340 4.2930 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6270 -3.7480 4.3450 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1410 -1.7950 5.2690 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8150 -2.4530 6.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3560 -1.4100 7.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7280 -0.8940 8.3500 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4870 -0.0360 8.9340 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6370 0.0250 8.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5790 -0.8480 7.2830 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0040 1.0540 8.7260 S 0 0 0 0 0 0 0 0 0 0 0 0 6.3270 1.9010 10.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3520 2.8610 10.7210 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4350 2.9630 10.1830 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0670 3.6070 11.8070 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0530 4.5500 12.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3800 5.9170 12.5200 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1570 5.7640 13.3180 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1780 4.9070 12.6350 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7590 3.5030 12.4710 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6020 7.0080 13.6290 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4370 7.0820 14.3800 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8920 8.3140 14.6860 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5050 9.4720 14.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6660 9.4010 13.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2190 8.1730 13.1910 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8020 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 1.7860 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7760 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1620 1.2200 2.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2920 0.1180 3.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3560 -3.7140 2.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2380 -4.4710 0.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2930 -4.4890 1.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3070 -4.6420 -0.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1010 -0.8260 5.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1040 -3.0880 6.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6360 -3.0630 6.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4310 2.4510 9.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0740 1.1670 10.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4000 4.1930 13.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8970 4.6370 11.6710 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0620 6.5990 13.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1270 6.3180 11.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2630 4.8570 13.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9560 5.3230 11.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0860 2.8990 11.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8810 3.0440 13.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9570 6.1780 14.7250 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9850 8.3730 15.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0770 10.4340 14.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1420 10.3080 13.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1280 8.1180 12.6100 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 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 39 1 0 0 0 0 5 6 1 0 0 0 0 5 40 1 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 41 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 42 1 0 0 0 0 10 43 1 0 0 0 0 10 44 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 45 1 0 0 0 0 14 15 1 0 0 0 0 14 46 1 0 0 0 0 14 47 1 0 0 0 0 15 16 2 0 0 0 0 15 19 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 48 1 0 0 0 0 21 49 1 0 0 0 0 22 23 2 0 0 0 0 22 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 50 1 0 0 0 0 25 51 1 0 0 0 0 26 27 1 0 0 0 0 26 52 1 0 0 0 0 26 53 1 0 0 0 0 27 28 1 0 0 0 0 27 30 1 0 0 0 0 28 29 1 0 0 0 0 28 54 1 0 0 0 0 28 55 1 0 0 0 0 29 56 1 0 0 0 0 29 57 1 0 0 0 0 30 31 1 0 0 0 0 30 35 2 0 0 0 0 31 32 2 0 0 0 0 31 58 1 0 0 0 0 32 33 1 0 0 0 0 32 59 1 0 0 0 0 33 34 2 0 0 0 0 33 60 1 0 0 0 0 34 35 1 0 0 0 0 34 61 1 0 0 0 0 35 62 1 0 0 0 0 M END