PUBCHEM-ZINC06656947 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 52 0 0 1 0 0 0 0 0999 V2000 4.0550 -2.2630 0.7240 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7950 -3.1290 0.7630 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6860 -2.3790 0.2620 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4810 -3.0080 0.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6380 -2.3390 -0.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8610 -2.9800 -0.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9710 -4.2860 0.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8570 -4.9540 0.6330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3700 -4.3200 0.6630 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3070 -4.9830 0.1210 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.9370 -4.5190 -0.6370 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9720 -4.8660 1.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2050 -4.8270 2.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8150 -4.7190 3.8530 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1930 -4.6510 3.9400 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9610 -4.6890 2.7920 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3510 -4.7910 1.5550 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4000 -4.8370 -0.0180 Br 0 0 0 0 0 0 0 0 0 0 0 0 -3.9310 -7.2590 0.6570 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5940 -8.7280 0.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8640 -9.0470 -1.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0330 -8.1070 -1.9630 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3870 -6.6570 -1.6260 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.4440 -6.4840 -1.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5570 -5.7280 -2.4740 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4070 -5.5050 -2.1780 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9010 -2.8340 1.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2560 -1.9600 -0.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9060 -1.3770 1.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9430 -4.0150 0.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5930 -3.4320 1.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5520 -1.3180 -0.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7330 -2.4600 -0.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9460 -5.9750 0.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2400 -4.8440 1.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1280 -4.8810 2.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2150 -4.6890 4.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6700 -4.5670 4.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0380 -4.6360 2.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9860 -7.0840 0.4460 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7270 -7.0250 1.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5430 -8.9060 0.6130 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2150 -9.3650 1.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5840 -10.0800 -1.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9230 -8.9050 -1.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9730 -8.2760 -1.7750 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2530 -8.3010 -3.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1100 -6.4010 -0.2060 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0950 -5.1470 -3.5580 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5240 -4.5590 -4.0700 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 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 32 1 0 0 0 0 6 7 1 0 0 0 0 6 33 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 34 1 0 0 0 0 9 35 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 48 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 15 16 2 0 0 0 0 15 38 1 0 0 0 0 16 17 1 0 0 0 0 16 39 1 0 0 0 0 17 18 1 0 0 0 0 19 20 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 19 48 1 0 0 0 0 20 21 1 0 0 0 0 20 42 1 0 0 0 0 20 43 1 0 0 0 0 21 22 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 22 23 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 48 1 0 0 0 0 25 26 2 0 0 0 0 25 49 1 0 0 0 0 49 50 1 0 0 0 0 M END