NIH-ZINC06577499 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 56 0 0 1 0 0 0 0 0999 V2000 -0.0260 1.4770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0060 -0.0290 0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1320 -0.6710 1.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1860 -2.1710 1.2890 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.4960 -2.5010 2.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2090 -2.7700 0.0160 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3310 -2.0660 -1.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6890 -2.8910 -2.0820 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8110 -4.1310 -1.5730 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5250 -4.0940 -0.2860 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2020 -5.3380 -2.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4930 -5.3690 -3.6480 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8320 -6.6150 -4.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8200 -7.5980 -3.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3520 -6.9560 -1.6610 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.1020 -0.6990 -1.1900 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5890 -2.6000 1.6310 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8440 -3.3030 2.7990 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1500 -3.6760 3.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1490 -3.3380 2.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8700 -2.6680 1.0790 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6380 -2.3020 0.7830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2200 0.0980 2.3600 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7050 0.1040 3.1520 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3280 0.8240 2.6110 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4650 1.4900 3.8360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7830 1.0360 4.9550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9210 1.6940 6.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7380 2.8060 6.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4210 3.2640 5.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2920 2.6060 3.9340 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9680 3.0530 2.8410 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7970 4.2040 3.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9940 1.8620 -0.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5540 1.8270 -0.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5400 1.8330 0.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4640 -4.4880 -4.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0890 -6.7830 -5.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0580 -8.6320 -3.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0170 -0.2350 -2.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0430 -3.5530 3.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3850 -4.2240 3.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1700 -3.6240 2.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4480 -1.7580 -0.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0300 0.8840 1.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1440 0.1680 4.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3890 1.3400 7.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8420 3.3180 7.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0580 4.1330 5.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1870 5.0440 3.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5600 3.9910 3.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2770 4.4530 2.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 2 3 2 0 0 0 0 2 16 1 0 0 0 0 3 4 1 0 0 0 0 3 23 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 17 1 0 0 0 0 6 7 1 0 0 0 0 6 10 1 0 0 0 0 7 8 2 0 0 0 0 7 16 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 12 2 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 12 37 1 0 0 0 0 13 14 2 0 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 14 39 1 0 0 0 0 16 40 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 41 1 0 0 0 0 19 20 1 0 0 0 0 19 42 1 0 0 0 0 20 21 2 0 0 0 0 20 43 1 0 0 0 0 21 22 1 0 0 0 0 22 44 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 25 45 1 0 0 0 0 26 27 1 0 0 0 0 26 31 2 0 0 0 0 27 28 2 0 0 0 0 27 46 1 0 0 0 0 28 29 1 0 0 0 0 28 47 1 0 0 0 0 29 30 2 0 0 0 0 29 48 1 0 0 0 0 30 31 1 0 0 0 0 30 49 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 50 1 0 0 0 0 33 51 1 0 0 0 0 33 52 1 0 0 0 0 M END