PUBCHEM-ZINC02117187 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 37 0 0 0 0 0 0 0 0999 V2000 0.9420 0.0210 0.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3850 -0.8930 -0.7010 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9060 -1.2940 -0.4740 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4530 -2.1110 -1.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7630 -2.5910 -1.3600 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5410 -2.2580 -0.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9940 -1.4470 0.7500 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6830 -0.9660 0.6390 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9160 -2.7500 -0.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0230 -2.0010 -0.3010 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3510 -2.7820 -0.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7890 -2.7510 1.1110 O 0 5 0 0 0 0 0 0 0 0 0 0 -5.9600 -0.6560 -0.6280 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.0440 0.1860 -0.8010 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2290 -0.1210 -0.7880 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6960 1.6060 -1.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5070 2.3340 -1.9460 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2150 3.6710 -2.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1200 4.2840 -1.6140 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3260 3.5600 -0.7250 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6080 2.2230 -0.4410 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8520 4.4040 0.1110 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.9480 0.2800 -0.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3590 0.9470 0.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0370 -0.4380 1.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8560 -2.3750 -2.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1690 -3.2210 -2.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5860 -1.1880 1.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3010 -0.3450 1.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0050 -3.8080 0.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0300 -0.2780 -0.7590 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3650 1.8610 -2.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8430 4.2320 -2.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9010 5.3250 -1.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9990 1.6860 0.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7720 -3.4240 -1.0850 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 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 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 26 1 0 0 0 0 5 6 1 0 0 0 0 5 27 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 28 1 0 0 0 0 8 29 1 0 0 0 0 9 10 2 0 0 0 0 9 30 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 11 36 2 0 0 0 0 13 14 1 0 0 0 0 13 31 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 32 1 0 0 0 0 18 19 1 0 0 0 0 18 33 1 0 0 0 0 19 20 2 0 0 0 0 19 34 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 21 35 1 0 0 0 0 M CHG 1 12 -1 M END