PUBCHEM-ZINC02173106 MOE2007 3D CORINA 3.40 0006 02.08.2006 21 21 0 0 0 0 0 0 0 0999 V2000 -0.1860 1.2190 -0.7700 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8530 1.5800 -1.6260 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1140 0.9980 -1.4790 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3500 0.0600 -0.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2970 -0.3040 0.3800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0350 0.2770 0.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6490 -0.5970 -0.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8310 0.0070 -0.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0990 -0.7480 0.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0440 -0.9240 -1.5760 Br 0 0 0 0 0 0 0 0 0 0 0 0 4.9620 1.5280 0.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0070 1.9090 1.2810 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.1660 1.6750 -0.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6870 2.3160 -2.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9170 1.2890 -2.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4560 -1.0350 1.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7730 -0.0050 0.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6070 -1.6820 -0.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7750 -0.2480 0.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9220 -1.7660 0.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0610 2.1920 -0.9930 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 13 1 0 0 0 0 2 3 2 0 0 0 0 2 14 1 0 0 0 0 3 4 1 0 0 0 0 3 15 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 16 1 0 0 0 0 6 17 1 0 0 0 0 7 8 2 0 0 0 0 7 18 1 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 10 1 0 0 0 0 9 19 1 0 0 0 0 9 20 1 0 0 0 0 11 12 1 0 0 0 0 11 21 2 0 0 0 0 M CHG 1 12 -1 M END