PUBCHEM-ZINC03735788 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 54 0 0 1 0 0 0 0 0999 V2000 -0.5590 1.6700 -0.7900 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5540 0.2560 -0.6290 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7510 -0.3400 -0.3450 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9790 0.3030 -0.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1280 -0.4400 0.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0580 -1.8280 0.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8310 -2.4950 0.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6810 -1.7280 -0.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7000 -4.0130 0.1960 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.7070 -4.3030 -0.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8460 -4.4520 1.6550 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1140 -4.6060 2.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2250 -4.9940 3.5880 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0880 -5.2260 4.3510 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8240 -5.0650 3.7800 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6930 -4.6720 2.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4930 -4.4880 1.8060 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6890 -4.5480 2.5990 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9370 -5.2080 4.3600 Br 0 0 0 0 0 0 0 0 0 0 0 0 -3.4590 -6.2910 -0.6890 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6400 -7.0490 -1.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8750 -6.8410 -2.7650 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6330 -4.3080 -3.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3670 -4.3280 -2.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4660 1.9860 -1.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1850 1.9680 -1.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8760 2.1710 0.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0780 1.3790 -0.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0820 0.0700 0.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9770 -2.3600 0.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7070 -2.2080 -0.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0250 -4.4230 1.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1680 -5.5300 5.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9610 -5.2560 4.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6620 -3.8090 3.4070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8490 -5.5580 2.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5360 -4.3020 1.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3920 -6.5470 0.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5100 -6.5670 -1.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4550 -8.1180 -1.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5510 -6.8100 -0.7140 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9660 -6.9120 -3.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5950 -7.5820 -3.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2640 -3.4510 -2.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3550 -4.2230 -4.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6010 -4.9860 -2.6810 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9460 -3.3200 -2.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6280 -4.7810 -0.8170 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.5760 -4.5210 -0.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5100 -5.5120 -3.0070 N 0 3 0 0 0 0 0 0 0 0 0 0 -6.0170 -5.5870 -3.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2770 -5.3550 -2.3340 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 29 1 0 0 0 0 6 7 2 0 0 0 0 6 30 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 31 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 48 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 32 1 0 0 0 0 13 14 1 0 0 0 0 13 19 1 0 0 0 0 14 15 2 0 0 0 0 14 33 1 0 0 0 0 15 16 1 0 0 0 0 15 34 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 20 21 1 0 0 0 0 20 38 1 0 0 0 0 20 39 1 0 0 0 0 20 48 1 0 0 0 0 21 22 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 22 42 1 0 0 0 0 22 43 1 0 0 0 0 22 50 1 0 0 0 0 23 24 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 23 50 1 0 0 0 0 24 46 1 0 0 0 0 24 47 1 0 0 0 0 24 48 1 0 0 0 0 48 49 1 0 0 0 0 50 51 1 0 0 0 0 50 52 1 0 0 0 0 M CHG 1 48 1 M CHG 1 50 1 M END