PUBCHEM-ZINC05950705 MOE2007 3D CORINA 3.40 0006 02.08.2006 24 24 0 0 0 0 0 0 0 0999 V2000 0.9870 0.6670 -0.5080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3690 -0.6720 -0.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1370 -0.6990 -0.3610 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7260 0.2050 -0.9440 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6810 -1.8770 0.0980 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0270 -2.2800 0.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2220 -3.6920 0.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5240 -4.2180 0.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6190 -3.3690 0.4990 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4350 -1.9920 0.5450 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1440 -1.4420 0.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0670 0.4210 0.8500 Br 0 0 0 0 0 0 0 0 0 0 0 0 -7.3640 -4.0890 0.6140 Br 0 0 0 0 0 0 0 0 0 0 0 0 -2.0440 -4.6520 0.2770 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8850 -4.1150 0.3560 O 0 5 0 0 0 0 0 0 0 0 0 0 2.0660 0.6510 -0.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 0.9060 -1.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5490 1.4740 0.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8180 -1.4620 -0.7630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5790 -0.9000 0.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0130 -2.6680 0.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6650 -5.2980 0.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2980 -1.3410 0.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2920 -5.8910 0.1690 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 1 18 1 0 0 0 0 2 3 1 0 0 0 0 2 19 1 0 0 0 0 2 20 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 21 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 14 1 0 0 0 0 8 9 1 0 0 0 0 8 22 1 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 10 23 1 0 0 0 0 11 12 1 0 0 0 0 14 15 1 0 0 0 0 14 24 2 0 0 0 0 M CHG 1 15 -1 M END