NIH-ZINC01110347 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 54 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 0.7180 -0.4980 -1.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7420 -0.5110 1.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0080 -0.1400 2.4440 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3410 -0.8610 3.8930 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.5230 -0.2700 4.8540 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3870 -2.2590 3.6450 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9780 -0.3800 4.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1840 0.7620 5.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4690 1.1390 5.4310 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5460 0.3750 5.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3400 -0.7670 4.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0560 -1.1470 3.9320 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9460 0.7870 5.4010 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3240 0.1480 6.7380 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7240 0.5600 7.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3580 1.2930 6.3840 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2730 0.1150 8.2620 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6340 0.5160 8.6270 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0120 -0.1230 9.9650 C 0 0 3 0 0 0 0 0 0 0 0 0 9.2680 0.1180 10.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4110 0.3540 10.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0420 -0.8950 11.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9500 -1.9790 10.9380 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1360 -1.5550 9.8210 O 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 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7410 -0.1200 -1.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7330 -1.5870 -1.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1910 -0.1360 -2.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8350 -1.5960 1.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7350 -0.0630 1.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7100 0.5280 2.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3420 1.3590 5.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6300 2.0320 6.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1820 -1.3640 3.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8940 -2.0410 3.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6420 0.4550 4.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9940 1.8720 5.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6290 0.4800 7.5090 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2770 -0.9370 6.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7660 -0.4710 8.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3300 0.1830 7.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6820 1.6010 8.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9990 0.6730 9.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3240 1.1630 11.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9430 -1.1940 10.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2680 -0.7030 12.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4010 -2.9500 10.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3500 -2.0240 11.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 30 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 4 5 1 0 0 0 0 4 34 1 0 0 0 0 4 35 1 0 0 0 0 5 6 1 0 0 0 0 5 36 1 0 0 0 0 6 7 2 0 0 0 0 6 8 2 0 0 0 0 6 9 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 37 1 0 0 0 0 11 12 1 0 0 0 0 11 38 1 0 0 0 0 12 13 2 0 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 13 39 1 0 0 0 0 14 40 1 0 0 0 0 15 16 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 17 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 45 1 0 0 0 0 20 21 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 26 1 0 0 0 0 23 24 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 24 25 1 0 0 0 0 24 50 1 0 0 0 0 24 51 1 0 0 0 0 25 26 1 0 0 0 0 25 52 1 0 0 0 0 25 53 1 0 0 0 0 M END