PUBCHEM-ZINC03741421 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 51 0 0 0 0 0 0 0 0999 V2000 -0.2990 1.2030 -0.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2840 -0.1980 0.1170 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5140 -0.6390 1.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2380 0.1620 2.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0110 -0.4200 3.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0710 -1.8100 3.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3440 -2.6230 2.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5730 -2.0270 1.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3600 -4.0830 2.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7140 -4.9430 3.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0670 -6.2800 2.8830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7290 -7.5600 3.3710 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2610 -8.7010 2.7560 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1200 -8.5840 1.6660 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4670 -7.3250 1.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9270 -6.1930 1.7880 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0900 -4.8560 1.5130 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6700 -4.4940 0.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6330 -7.1950 -0.3190 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.2000 -4.5490 4.3770 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6280 -4.3120 3.8800 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5490 -3.8670 5.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9510 -3.5950 4.4890 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7980 -2.4580 4.1430 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5850 -1.6640 5.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7020 1.5720 -0.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9430 1.3830 -0.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7240 1.7480 0.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2260 1.2450 1.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5590 0.2470 3.6890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0040 -2.6510 0.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0610 -7.6680 4.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9990 -9.6860 3.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5190 -9.4860 1.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2020 -5.3290 5.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1800 -3.6430 4.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6280 -3.5490 3.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0200 -5.2310 3.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5820 -4.6430 5.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1460 -2.9610 5.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9640 -2.7840 3.7550 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4100 -4.4900 4.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3410 -1.0950 4.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9550 -1.0060 5.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1110 -2.3410 5.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8130 -3.1680 5.6150 N 0 3 0 0 0 0 0 0 0 0 0 0 -5.7700 -2.9730 5.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4610 -2.3130 6.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8820 -3.8960 6.3390 H 0 0 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 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 6 7 2 0 0 0 0 6 24 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 2 0 0 0 0 9 17 1 0 0 0 0 10 11 1 0 0 0 0 10 20 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 33 1 0 0 0 0 14 15 2 0 0 0 0 14 34 1 0 0 0 0 15 16 1 0 0 0 0 15 19 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 20 21 1 0 0 0 0 20 35 1 0 0 0 0 20 36 1 0 0 0 0 21 22 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 22 23 1 0 0 0 0 22 39 1 0 0 0 0 22 40 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 23 46 1 0 0 0 0 24 25 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 25 45 1 0 0 0 0 46 47 1 0 0 0 0 46 48 1 0 0 0 0 46 49 1 0 0 0 0 M CHG 1 46 1 M END