NIH-ZINC02883439 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 51 0 0 0 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 0.6930 -0.4770 1.1600 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8020 -1.8240 1.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2550 -2.6730 0.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3670 -4.0420 0.5050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0240 -4.5660 1.6020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5700 -3.7240 2.5530 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4660 -2.3530 2.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2200 -1.2010 3.7000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.3280 -5.1190 -0.7040 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.5540 -6.3610 -0.0510 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3560 -4.3840 -1.3530 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8410 -5.3960 -1.8440 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7790 -6.5200 -1.7060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7760 -7.3200 -3.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9950 -5.4090 -4.2770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9640 -4.5270 -3.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2270 -7.1660 -5.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7460 -6.2440 -6.4600 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1080 -6.0840 -6.6350 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5840 -5.2370 -7.6190 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6980 -4.5510 -8.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3360 -4.7110 -8.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8600 -5.5610 -7.2720 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 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2590 -2.2640 -0.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1100 -5.6370 1.7180 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0820 -4.1360 3.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7820 -6.1390 -1.5120 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4630 -7.1620 -0.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5450 -8.0910 -2.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8010 -7.7860 -3.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0320 -5.9060 -4.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1960 -4.7920 -5.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1100 -3.8520 -3.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8870 -3.9510 -2.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2690 -7.5830 -5.6990 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9400 -7.9750 -5.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8000 -6.6200 -6.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6480 -5.1120 -7.7550 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0700 -3.8890 -9.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6440 -4.1740 -8.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7960 -5.6890 -7.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0510 -6.4150 -4.1380 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 29 1 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 31 1 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 7 8 2 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 8 33 1 0 0 0 0 9 10 1 0 0 0 0 11 12 2 0 0 0 0 11 13 2 0 0 0 0 11 14 1 0 0 0 0 14 15 1 0 0 0 0 14 18 1 0 0 0 0 15 16 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 16 49 1 0 0 0 0 17 18 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 17 49 1 0 0 0 0 18 40 1 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 19 43 1 0 0 0 0 19 49 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 44 1 0 0 0 0 22 23 1 0 0 0 0 22 45 1 0 0 0 0 23 24 2 0 0 0 0 23 46 1 0 0 0 0 24 25 1 0 0 0 0 24 47 1 0 0 0 0 25 48 1 0 0 0 0 M END