PUBCHEM-ZINC05942706 MOE2007 3D CORINA 3.40 0006 02.08.2006 35 36 0 0 0 0 0 0 0 0999 V2000 -0.1000 1.5000 0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0370 -0.0050 0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0880 -0.6990 1.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1460 -2.0770 1.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0780 -2.7720 -0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0490 -2.0660 -1.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1100 -0.6880 -1.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2500 0.0630 -2.4640 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.9400 -0.3840 -3.3630 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3250 1.1270 -2.6080 O 0 5 0 0 0 0 0 0 0 0 0 0 0.1390 -4.2490 -0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0800 -4.8510 -1.0830 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2610 -4.9270 1.1290 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3200 -6.3270 1.1180 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4380 -6.9810 2.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4990 -8.4530 2.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6260 -9.1610 3.4190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6820 -10.5390 3.4010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6140 -11.2250 2.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4890 -10.5360 1.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4250 -9.1520 1.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2960 -8.4740 -0.1620 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8540 -11.4960 5.0220 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.8950 1.9070 -0.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7800 1.8420 -0.7630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4600 1.8410 0.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1410 -0.1600 2.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2440 -2.6180 2.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1020 -2.5970 -2.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3090 -4.4470 1.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4900 -6.4460 3.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6800 -8.6300 4.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6580 -12.3040 2.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4360 -11.0770 0.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1380 -8.2410 -0.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 27 1 0 0 0 0 4 5 1 0 0 0 0 4 28 1 0 0 0 0 5 6 2 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 29 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 30 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 15 31 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 23 1 0 0 0 0 19 20 2 0 0 0 0 19 33 1 0 0 0 0 20 21 1 0 0 0 0 20 34 1 0 0 0 0 21 22 1 0 0 0 0 22 35 1 0 0 0 0 M CHG 1 8 1 M CHG 1 10 -1 M END