PUBCHEM-ZINC00646885 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 52 0 0 1 0 0 0 0 0999 V2000 -0.0180 1.5030 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0240 -0.8250 1.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0360 -2.1240 0.6940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0240 -2.1090 -0.6490 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0290 -2.8870 -1.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0030 -0.7690 -1.0640 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0550 -3.1760 1.5490 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2140 -2.9300 2.8480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2420 -1.6920 3.3890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0340 -0.4490 2.5800 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.7380 0.2950 2.7740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3840 0.1090 2.9520 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4860 1.3980 3.4420 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7260 1.9130 3.7840 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8670 1.1310 3.6330 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7580 -0.1610 3.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5160 -0.6710 2.8070 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3060 -1.2280 2.9340 Br 0 0 0 0 0 0 0 0 0 0 0 0 5.0870 1.6320 3.9670 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5240 1.4330 5.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8860 2.0520 5.4950 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9970 3.3690 5.8980 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2460 3.9380 6.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3850 3.1870 5.8310 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2720 1.8680 5.4260 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0230 1.3000 5.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6060 3.7420 5.9940 F 0 0 0 0 0 0 0 0 0 0 0 0 2.8280 3.1810 4.2650 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6160 3.9260 4.3930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5450 -1.5560 4.7820 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7860 -1.4470 5.8870 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4760 -4.0000 3.6670 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6000 2.0030 3.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4320 -1.6780 2.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8170 1.9010 5.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5800 0.3640 5.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1080 3.9540 6.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3320 4.9670 6.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1600 1.2820 5.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9350 0.2700 4.9530 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1430 4.0210 3.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9410 3.4070 5.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8380 4.9180 4.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4640 -4.9010 3.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6730 -3.8550 4.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 11 1 0 0 0 0 4 5 1 0 0 0 0 4 8 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 33 1 0 0 0 0 10 11 1 0 0 0 0 10 31 1 0 0 0 0 11 12 1 0 0 0 0 11 13 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 37 1 0 0 0 0 15 16 1 0 0 0 0 15 29 1 0 0 0 0 16 17 2 0 0 0 0 16 20 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 18 38 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 41 1 0 0 0 0 24 25 1 0 0 0 0 24 42 1 0 0 0 0 25 26 2 0 0 0 0 25 28 1 0 0 0 0 26 27 1 0 0 0 0 26 43 1 0 0 0 0 27 44 1 0 0 0 0 29 30 1 0 0 0 0 30 45 1 0 0 0 0 30 46 1 0 0 0 0 30 47 1 0 0 0 0 31 32 3 0 0 0 0 33 48 1 0 0 0 0 33 49 1 0 0 0 0 M END