PUBCHEM-ZINC04576994 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 46 0 0 1 0 0 0 0 0999 V2000 -0.3630 1.3490 0.4760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5570 -0.0870 0.9790 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4320 -0.8760 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7800 -0.7710 1.3490 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3440 -0.1070 2.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5870 -2.1470 1.9900 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8030 -2.6150 2.7710 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6940 -1.8610 3.1500 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7690 -3.9620 3.0460 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8150 -4.6350 3.7930 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3870 -6.0780 4.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3990 -6.5590 3.4790 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2160 -6.7610 4.8890 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9800 -8.1350 5.3620 C 0 0 3 0 0 0 0 0 0 0 0 0 2.4510 -8.6900 4.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2090 -8.1630 6.6940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8070 -7.6040 6.6140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2120 -8.3300 5.9830 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5040 -7.8080 5.8990 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7900 -6.5580 6.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7840 -5.8280 7.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5090 -6.3480 7.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3170 -8.8440 5.7090 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2870 -8.0480 5.9060 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9430 -0.9790 -0.2290 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.1050 1.3810 -0.5120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3290 1.8590 0.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2580 1.9260 1.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1310 -0.0050 1.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9660 -0.9700 -0.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6480 -1.8810 0.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3940 -0.3710 -0.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2380 -2.1080 2.7130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3310 -2.9060 1.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9980 -4.5460 2.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7390 -4.6120 3.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9660 -4.1180 4.7450 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0850 -6.3600 5.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1330 -9.1910 7.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7700 -7.6120 7.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -9.3010 5.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2850 -8.3760 5.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7950 -6.1520 6.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0040 -4.8510 7.4990 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2860 -5.7640 7.6470 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2770 -10.1050 5.7510 O 0 5 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 4 1 0 0 0 0 2 29 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 25 1 0 0 0 0 6 7 1 0 0 0 0 6 33 1 0 0 0 0 6 34 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 35 1 0 0 0 0 10 11 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 23 1 0 0 0 0 16 17 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 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 20 21 2 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 22 45 1 0 0 0 0 23 24 2 0 0 0 0 23 46 1 0 0 0 0 M CHG 1 46 -1 M END