PUBCHEM-ZINC00646886 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 0.0380 -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 0.0270 -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 0.0630 -3.1760 1.5490 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3510 -2.9230 2.8420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 -1.6840 3.3830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0320 -0.4490 2.5810 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7880 0.3150 2.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3250 0.0730 2.9780 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4520 1.3590 3.4710 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6980 1.8400 3.8370 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8210 1.0280 3.7080 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6870 -0.2600 3.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4400 -0.7330 2.8450 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2090 -1.3680 3.0380 Br 0 0 0 0 0 0 0 0 0 0 0 0 -5.0460 1.4960 4.0680 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8100 2.1560 3.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1280 2.6030 3.6340 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2410 3.8540 4.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4500 4.2660 4.7400 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5480 3.4230 4.6930 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4340 2.1700 4.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2260 1.7630 3.5820 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7290 3.8240 5.2110 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.8240 3.1050 4.3220 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6290 3.8810 4.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6830 -1.5390 4.7700 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9420 -1.4240 5.8700 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6570 -3.9850 3.6560 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 -0.5800 1.9880 3.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3380 -1.7350 2.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2600 3.0240 2.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9900 1.4680 2.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3850 4.5110 4.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5370 5.2430 5.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2890 1.5120 4.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1370 0.7870 3.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9280 3.3800 5.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1790 3.9900 3.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8700 4.8660 4.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6610 -4.8860 3.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8680 -3.8350 4.5910 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