PUBCHEM-ZINC02939844 MOE2007 3D CORINA 3.40 0006 02.08.2006 38 40 0 0 0 0 0 0 0 0999 V2000 -0.0910 1.1320 -0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0240 -0.1740 -0.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2160 -1.0020 -0.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4370 -0.6170 0.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6150 -1.4730 0.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6210 -1.4110 -0.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7590 -2.2130 -0.5060 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8980 -3.0800 0.5780 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8980 -3.1390 1.5470 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7600 -2.3390 1.4450 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0850 -4.3140 3.0170 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.8160 -2.3910 -0.5600 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5660 -3.3550 -0.5980 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 -2.3090 -0.8760 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9730 -1.0030 -0.6890 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9170 -0.6810 -0.8430 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4240 -3.3280 -1.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7730 -3.0590 -1.6190 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6360 -4.0690 -2.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1510 -5.3650 -2.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8250 -5.6670 -1.9170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9700 -4.6500 -1.4790 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2700 -6.6680 -2.7580 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.6760 -7.8690 -2.1750 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5400 -6.2650 -2.1590 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2370 -6.6180 -4.3470 N 0 5 0 0 0 0 0 0 0 0 0 0 -3.3060 -6.8730 -4.6130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7410 1.7370 0.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0410 1.6420 -0.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6330 0.4190 0.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5230 -0.7430 -1.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5350 -2.1640 -1.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7860 -3.7020 0.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9830 -2.3930 2.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1980 -2.0670 -1.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6750 -3.8420 -2.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4510 -6.6810 -2.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0570 -4.9280 -1.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 15 1 0 0 0 0 3 4 2 0 0 0 0 3 12 1 0 0 0 0 4 5 1 0 0 0 0 4 30 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 7 32 1 0 0 0 0 8 9 2 0 0 0 0 8 33 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 10 34 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 35 1 0 0 0 0 19 20 1 0 0 0 0 19 36 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 37 1 0 0 0 0 22 38 1 0 0 0 0 23 24 2 0 0 0 0 23 25 2 0 0 0 0 23 26 1 0 0 0 0 26 27 1 0 0 0 0 M CHG 1 26 -1 M END