PUBCHEM-ZINC00797407 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 38 0 0 0 0 0 0 0 0999 V2000 -0.0960 1.5070 0.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0760 0.0000 0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0140 -0.7070 1.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -2.1010 1.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0420 -2.6990 -0.0420 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1010 -1.9860 -1.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1220 -0.6600 -1.1350 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1480 -2.6870 -2.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1320 -4.0800 -2.5090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1770 -4.7280 -3.7270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2390 -3.9980 -4.9010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2550 -2.6140 -4.8600 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2160 -1.9560 -3.6480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3010 -4.8920 -6.5660 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.0620 -2.8340 2.2800 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0260 -4.1860 2.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0690 -4.9220 1.7440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9780 -6.2960 1.6370 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2040 -6.9380 1.9580 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2970 -6.2070 2.3860 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2080 -4.8330 2.5010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3000 -8.4110 1.8420 N 0 3 0 0 0 0 0 0 0 0 0 0 0.6620 -9.0560 1.4650 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3400 -8.9770 2.1240 O 0 5 0 0 0 0 0 0 0 0 0 0 0.9260 1.8850 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6530 1.8700 -0.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5750 1.8570 0.9380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0210 -0.1930 2.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0830 -4.6520 -1.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1640 -5.8080 -3.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3030 -2.0480 -5.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2340 -0.8770 -3.6170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9920 -4.4200 1.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8300 -6.8690 1.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2190 -6.7110 2.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0610 -4.2630 2.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 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 28 1 0 0 0 0 4 5 1 0 0 0 0 4 15 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 6 8 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 29 1 0 0 0 0 10 11 1 0 0 0 0 10 30 1 0 0 0 0 11 12 2 0 0 0 0 11 14 1 0 0 0 0 12 13 1 0 0 0 0 12 31 1 0 0 0 0 13 32 1 0 0 0 0 15 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 33 1 0 0 0 0 18 19 1 0 0 0 0 18 34 1 0 0 0 0 19 20 2 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 35 1 0 0 0 0 21 36 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 M CHG 1 22 1 M CHG 1 24 -1 M END