PUBCHEM-ZINC02117310 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 40 0 0 1 0 0 0 0 0999 V2000 0.5910 0.3940 -1.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0670 -0.2630 0.0090 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4600 -1.1890 0.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0280 0.7280 1.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1010 1.1330 1.6290 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4640 -0.6110 -0.2800 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8660 -1.6550 -1.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1280 -2.4580 -1.6340 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3510 -1.7890 -1.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9230 -2.3830 -0.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3250 -2.6330 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0320 -3.1830 1.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3990 -3.2350 0.7130 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4710 -2.7190 -0.5550 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2410 -2.3560 -0.9890 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0570 -1.3640 -2.2590 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5500 -0.7200 -3.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4050 -0.3110 -3.5150 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5310 -0.4740 -4.4570 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3960 0.6900 -5.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3020 0.9610 -6.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3370 0.0670 -6.5210 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4580 -1.1000 -5.7670 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5580 -1.3820 -4.7390 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8550 -2.3190 -6.1470 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.6400 0.6360 -0.9990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5610 -0.2650 -2.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0790 1.3240 -1.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1300 0.0030 0.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3040 -2.7020 0.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5990 -3.5060 2.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2250 -3.6020 1.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2830 -2.5520 -1.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0570 -1.5490 -2.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5900 1.3920 -5.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1980 1.8690 -6.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0380 0.2860 -7.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6510 -2.3140 -4.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1920 0.9940 1.6180 O 0 5 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 2 4 1 0 0 0 0 2 6 1 0 0 0 0 4 5 2 0 0 0 0 4 39 1 0 0 0 0 6 7 1 0 0 0 0 6 29 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 9 16 1 0 0 0 0 10 11 1 0 0 0 0 10 30 1 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 12 31 1 0 0 0 0 13 14 2 0 0 0 0 13 32 1 0 0 0 0 14 15 1 0 0 0 0 14 33 1 0 0 0 0 16 17 1 0 0 0 0 16 34 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 35 1 0 0 0 0 21 22 1 0 0 0 0 21 36 1 0 0 0 0 22 23 2 0 0 0 0 22 37 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 24 38 1 0 0 0 0 M CHG 1 39 -1 M END