CHEMBRIDGE-ZINC04197856 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 55 0 0 0 0 0 0 0 0999 V2000 0.0810 1.0460 -0.5980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5370 -0.2780 -0.3330 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5470 -0.6710 0.9800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1890 0.1000 2.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2500 -0.4610 3.3620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6690 -1.7820 3.5550 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0500 -2.5660 2.4600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9710 -1.9910 1.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3410 -2.7470 0.0910 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4490 -4.0060 2.6510 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4640 -5.9870 1.4590 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4640 -6.4150 0.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8770 -4.3910 0.8750 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8840 -3.9690 1.9690 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8710 -6.3740 -0.3490 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2780 -6.2500 0.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9710 -7.2680 0.6730 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3560 -7.1590 1.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2100 -8.2600 0.9920 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5250 -8.2120 1.4610 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9960 -7.0670 2.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1530 -5.9720 2.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8370 -6.0190 1.8060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2490 0.5810 4.8600 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.7370 1.7880 -0.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1170 1.2000 -1.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9580 1.1770 -0.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1420 1.1270 1.9730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6920 -2.1950 4.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1280 -2.1620 -0.6730 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8580 -4.1900 3.6510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5580 -4.6290 2.5140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4460 -6.2630 1.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7050 -6.4440 2.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5190 -7.5070 0.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1850 -6.0110 -0.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6200 -3.9400 -0.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8920 -4.0980 1.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1700 -4.3810 2.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8310 -2.8780 2.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7130 -5.7910 -1.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6340 -7.4220 -0.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7490 -5.2790 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5260 -8.2570 0.7610 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8630 -9.1650 0.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1820 -9.0680 1.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0180 -7.0310 2.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5180 -5.0820 2.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1980 -5.1570 1.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4930 -4.4880 1.6530 N 0 3 0 0 0 0 0 0 0 0 0 0 2.1730 -4.0300 0.7680 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8640 -5.9030 0.6860 N 0 3 0 0 0 0 0 0 0 0 0 0 5.1730 -6.3430 1.5660 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 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 24 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 10 1 0 0 0 0 8 9 1 0 0 0 0 9 30 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 10 50 1 0 0 0 0 11 12 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 11 50 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 12 52 1 0 0 0 0 13 14 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 13 52 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 14 50 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 15 52 1 0 0 0 0 16 17 2 0 0 0 0 16 43 1 0 0 0 0 17 18 1 0 0 0 0 17 44 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 45 1 0 0 0 0 20 21 1 0 0 0 0 20 46 1 0 0 0 0 21 22 2 0 0 0 0 21 47 1 0 0 0 0 22 23 1 0 0 0 0 22 48 1 0 0 0 0 23 49 1 0 0 0 0 50 51 1 0 0 0 0 52 53 1 0 0 0 0 M CHG 1 50 1 M CHG 1 52 1 M END