PUBCHEM-ZINC03871308 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 42 0 0 0 0 0 0 0 0999 V2000 -0.0130 1.0860 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0720 1.0150 2.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7400 3.0270 1.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6690 3.4810 2.3870 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7080 4.9440 2.4290 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4670 5.5720 3.3490 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1190 4.9230 4.1440 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5060 7.0450 3.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7690 7.7990 2.4920 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7970 9.1890 2.5220 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5380 9.8860 3.4200 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3250 9.2110 4.3790 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3310 7.7440 4.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0610 7.0770 5.2620 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7970 7.7480 6.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7970 9.2160 6.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0550 9.8820 5.2620 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.5900 9.8950 7.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3280 9.1840 7.9800 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3280 7.7890 7.9850 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5880 7.0720 7.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6190 5.1820 7.1420 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0100 1.4630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5400 1.4470 -0.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9700 1.3320 2.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1190 -0.0740 2.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6000 1.3810 3.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1100 3.4080 0.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2640 3.4130 1.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6730 3.0950 2.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2980 3.1000 3.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1880 5.4620 1.7940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1610 7.2970 1.7550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2050 9.7360 1.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5250 10.9660 3.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6080 10.9750 7.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9310 9.7120 8.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9300 7.2650 8.7120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7000 1.5600 1.2170 N 0 0 0 0 0 0 0 0 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 1 40 1 0 0 0 0 2 26 1 0 0 0 0 2 27 1 0 0 0 0 2 28 1 0 0 0 0 2 40 1 0 0 0 0 3 4 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 3 40 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 2 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 34 1 0 0 0 0 10 11 2 0 0 0 0 10 35 1 0 0 0 0 11 12 1 0 0 0 0 11 36 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 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 21 2 0 0 0 0 16 17 1 0 0 0 0 16 18 2 0 0 0 0 18 19 1 0 0 0 0 18 37 1 0 0 0 0 19 20 2 0 0 0 0 19 38 1 0 0 0 0 20 21 1 0 0 0 0 20 39 1 0 0 0 0 21 22 1 0 0 0 0 M END