PUBCHEM-ZINC05320229 MOE2007 3D CORINA 3.40 0006 02.08.2006 26 26 0 0 1 0 0 0 0 0999 V2000 -0.1780 1.2040 0.2950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1990 -0.1630 0.1280 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5030 -0.5120 -1.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5270 0.2650 -2.1060 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 -1.9760 -1.2340 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4490 -2.5190 -0.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4680 -2.5750 -2.5840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2810 -4.0790 -2.5250 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3490 -4.8940 -2.9540 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2490 -6.2840 -2.9390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0780 -6.8860 -2.4980 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9890 -6.0960 -2.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9130 -4.6870 -2.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1260 -3.9120 -1.5740 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9380 -2.7360 -1.1290 O 0 5 0 0 0 0 0 0 0 0 0 0 2.8130 -2.0380 -1.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.6570 1.8630 0.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0570 1.4370 -0.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4330 1.3590 1.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4560 -2.1250 -2.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2120 -2.3300 -3.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2730 -4.4420 -3.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0820 -6.8940 -3.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0110 -7.9680 -2.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9020 -6.5840 -1.7280 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2480 -4.5070 -1.6260 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 17 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 2 3 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 7 1 0 0 0 0 5 16 1 0 0 0 0 7 8 1 0 0 0 0 7 20 1 0 0 0 0 7 21 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 22 1 0 0 0 0 10 11 1 0 0 0 0 10 23 1 0 0 0 0 11 12 2 0 0 0 0 11 24 1 0 0 0 0 12 13 1 0 0 0 0 12 25 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 26 2 0 0 0 0 M CHG 1 15 -1 M END