NIH-ZINC04574688 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 41 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 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 0.7410 -0.5110 1.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1960 -0.1460 1.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8430 0.1420 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1110 0.1130 -1.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5970 0.5650 -2.2740 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7260 -0.5000 -1.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2750 0.4810 0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8870 0.7540 -1.0820 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3130 1.0910 -1.0680 C 0 0 3 0 0 0 0 0 0 0 0 0 6.6830 1.0620 -0.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0850 0.0800 -1.9170 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9910 -1.3050 -1.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7510 -2.3010 -2.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3140 -1.9390 -3.1220 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8070 -3.5940 -1.7350 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5070 2.4750 -1.6330 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5530 3.1130 -2.0090 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8900 -0.1000 2.3350 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4330 -0.5350 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2930 -0.0690 2.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6460 -1.5960 1.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8020 -1.5870 -1.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1800 -0.1830 -2.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8150 0.5030 0.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6570 0.0450 -2.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1310 0.3810 -1.9790 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4190 -1.2700 -0.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9450 -1.6060 -1.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3570 -3.8840 -0.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2960 -4.2350 -2.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8260 0.1370 2.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9590 -0.1740 -0.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4170 -1.6240 0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9450 -0.1840 0.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7400 2.9980 -1.7180 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8150 3.8880 -2.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 8 1 0 0 0 0 2 21 1 0 0 0 0 3 4 1 0 0 0 0 3 25 1 0 0 0 0 3 26 1 0 0 0 0 4 5 2 0 0 0 0 4 20 1 0 0 0 0 5 6 1 0 0 0 0 5 9 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 10 2 0 0 0 0 9 29 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 18 1 0 0 0 0 13 14 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 14 15 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 18 19 2 0 0 0 0 18 40 1 0 0 0 0 20 36 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 40 41 1 0 0 0 0 M END