NIH-ZINC03045419 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 41 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.5030 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 0.0250 -0.8890 1.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0350 -0.6820 2.5470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0570 -1.7540 3.3930 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0700 -3.0480 2.8880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0610 -3.2740 1.5290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0380 -2.1980 0.6490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0240 -2.1060 -0.6950 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0030 -0.8150 -1.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0300 -0.3570 -2.4830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0500 0.8330 -2.7310 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0690 -1.4950 5.1360 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6350 -2.6640 5.7110 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5990 -0.1920 5.3430 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5090 -1.4430 5.6350 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3520 -2.6350 5.5200 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5920 -2.4560 6.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7230 -1.8850 5.8040 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8610 -1.7200 6.5710 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8680 -2.1260 7.8940 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7350 -2.6980 8.4480 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6000 -2.8670 7.6780 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9800 -1.9650 8.6450 F 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 0.3220 2.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0870 -3.8860 3.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0720 -4.2850 1.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8740 -0.6240 6.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6360 -2.7810 4.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8000 -3.5070 5.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7170 -1.5670 4.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7440 -1.2730 6.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7390 -3.0160 9.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7170 -3.3160 8.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0330 -1.2560 -3.4880 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0510 -0.9060 -4.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 10 2 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 28 1 0 0 0 0 5 6 1 0 0 0 0 5 13 1 0 0 0 0 6 7 2 0 0 0 0 6 29 1 0 0 0 0 7 8 1 0 0 0 0 7 30 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 38 1 0 0 0 0 13 14 2 0 0 0 0 13 15 2 0 0 0 0 13 16 1 0 0 0 0 16 17 1 0 0 0 0 16 31 1 0 0 0 0 17 18 1 0 0 0 0 17 32 1 0 0 0 0 17 33 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 34 1 0 0 0 0 20 21 1 0 0 0 0 20 35 1 0 0 0 0 21 22 2 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 22 36 1 0 0 0 0 23 37 1 0 0 0 0 38 39 1 0 0 0 0 M END