PUBCHEM-ZINC03746303 MOE2007 3D CORINA 3.40 0006 02.08.2006 35 37 0 0 0 0 0 0 0 0999 V2000 0.0080 1.2450 -0.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1080 -0.1700 -0.0350 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6860 -0.6890 1.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1420 0.0460 2.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7210 -0.5870 3.2970 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8220 -1.9810 3.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3730 -2.7510 2.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8020 -2.0870 1.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6300 -4.1280 2.5190 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2240 -4.1530 3.7750 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3390 -2.8510 4.2000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7470 -2.5720 5.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6870 -5.2660 4.5950 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0540 -5.4370 4.8480 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4990 -6.4990 5.6380 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5810 -7.3970 6.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2200 -7.2290 5.9270 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7680 -6.1710 5.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9740 -8.4490 6.6610 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.3110 -5.3020 1.6450 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3170 -5.4120 0.4990 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9200 -4.9500 -0.6110 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9970 1.7150 -0.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4500 1.4920 -1.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6400 1.6420 0.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0650 1.1280 2.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0770 -0.0080 4.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4610 -2.6630 0.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7810 -4.7570 4.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5620 -6.6300 5.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9360 -8.2240 6.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7060 -6.0460 4.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3190 -6.2380 2.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2960 -5.1980 1.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4070 -5.9890 0.7800 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 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 26 1 0 0 0 0 5 6 1 0 0 0 0 5 27 1 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 28 1 0 0 0 0 9 10 2 0 0 0 0 9 20 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 29 1 0 0 0 0 15 16 1 0 0 0 0 15 30 1 0 0 0 0 16 17 2 0 0 0 0 16 31 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 18 32 1 0 0 0 0 20 21 1 0 0 0 0 20 33 1 0 0 0 0 20 34 1 0 0 0 0 21 22 2 0 0 0 0 21 35 1 0 0 0 0 M CHG 1 35 -1 M END