NIH-ZINC02883439 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 52 0 0 0 0 0 0 0 0999 V2000 0.3730 1.5250 -0.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2290 0.0140 -0.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3190 -0.5400 0.5070 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3140 -1.8890 0.7460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4600 -2.7980 0.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5530 -4.1640 0.4080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4590 -4.6350 1.3600 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3130 -3.7340 1.9920 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2470 -2.3720 1.6790 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4490 -1.2020 2.5750 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.5530 -5.3060 -0.3860 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.6680 -6.4680 0.4710 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7280 -4.5610 -0.7890 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3070 -5.7610 -1.7950 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5230 -6.6030 -1.6120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8690 -7.3080 -2.9310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8160 -5.4080 -4.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4820 -4.7300 -2.8560 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4500 -6.9610 -5.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9540 -6.0000 -6.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2270 -5.4210 -6.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6810 -4.5070 -7.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8700 -4.1640 -8.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6080 -4.7380 -8.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1510 -5.6530 -7.4890 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3280 1.8270 -0.6510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4400 2.0010 -0.7630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3660 1.8990 0.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7260 -0.2620 0.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2590 -0.3350 -1.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2750 -2.4650 -0.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5080 -5.6910 1.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0230 -4.0990 2.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3620 -5.9760 -1.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3490 -7.3680 -0.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8090 -7.8610 -2.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0680 -7.9860 -3.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0020 -6.0560 -4.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0280 -4.6500 -4.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4390 -4.1540 -2.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2860 -4.0420 -2.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5810 -7.5290 -5.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2450 -7.6800 -5.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8820 -5.6790 -5.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6710 -4.0660 -7.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2260 -3.4530 -9.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9830 -4.4740 -9.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1620 -6.0880 -7.6170 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0550 -6.2880 -4.0490 N 0 3 0 0 0 0 0 0 0 0 0 0 2.8390 -5.6750 -3.7880 H 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 49 50 1 0 0 0 0 M CHG 1 49 1 M END