NIH-ZINC03032694 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 50 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 0.7390 -2.0270 -1.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4250 -2.5000 -2.4700 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5640 -3.8220 -2.6920 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1210 -4.6200 -1.8940 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 -4.3080 -3.9320 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2900 -5.8380 -3.9400 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2720 -6.2150 -3.8430 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8850 -6.3250 -5.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1940 -6.7690 -6.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1430 -7.1220 -7.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3580 -6.8720 -6.7670 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1950 -6.3840 -5.5260 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0990 -6.3210 -2.8190 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6750 -7.7150 -2.0320 S 0 0 0 0 0 0 0 0 0 0 0 0 3.6630 -7.9280 -1.0330 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2880 -7.6060 -1.7430 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8410 -9.0370 -3.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0430 -9.7090 -3.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1730 -10.7460 -4.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1000 -11.1100 -4.9960 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8980 -10.4380 -4.8820 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7660 -9.4040 -3.9740 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2420 -12.2400 -5.9830 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 0.5290 -0.3650 0.8850 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 0.1910 -0.1360 -2.1400 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 1.2660 -2.3880 -0.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2840 -2.4050 -1.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7790 -1.8610 -3.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7420 -3.9470 -4.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2920 -3.9310 -3.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1190 -6.8430 -6.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9330 -7.5160 -8.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3030 -7.0320 -7.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8840 -5.8250 -2.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8810 -9.4250 -2.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1120 -11.2710 -4.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0600 -10.7230 -5.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8260 -8.8820 -3.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9710 -13.1800 -5.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5830 -12.0640 -6.8330 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2740 -12.2930 -6.3290 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 30 1 0 0 0 0 2 31 1 0 0 0 0 3 4 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 1 0 0 0 0 8 9 1 0 0 0 0 8 37 1 0 0 0 0 8 38 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 16 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 39 1 0 0 0 0 13 14 2 0 0 0 0 13 40 1 0 0 0 0 14 15 1 0 0 0 0 14 41 1 0 0 0 0 16 17 1 0 0 0 0 16 42 1 0 0 0 0 17 18 2 0 0 0 0 17 19 2 0 0 0 0 17 20 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 43 1 0 0 0 0 22 23 1 0 0 0 0 22 44 1 0 0 0 0 23 24 2 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 24 45 1 0 0 0 0 25 46 1 0 0 0 0 26 47 1 0 0 0 0 26 48 1 0 0 0 0 26 49 1 0 0 0 0 M END