PUBCHEM-ZINC00672198 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 43 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6880 -0.4760 -1.2030 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1480 -0.5970 -1.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5530 -1.9510 -0.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1880 -0.8750 -2.5520 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6170 -1.7760 -3.3000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4970 -1.1920 -2.1000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3380 0.5850 -3.5260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6190 0.8760 -4.4830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5080 2.0170 -5.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5730 2.8810 -5.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5350 2.5810 -4.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4140 1.4330 -3.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6890 4.0150 -5.8140 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8390 4.3360 -6.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9640 5.5570 -7.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1970 5.9040 -7.7100 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3070 7.0480 -8.4710 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1990 7.8530 -8.6800 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9750 7.5150 -8.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8520 6.3770 -7.3600 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3600 9.4210 -9.7260 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5100 -0.5200 -2.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5830 0.2030 -0.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6400 -2.0410 -0.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1910 -2.0280 0.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1180 -2.7510 -1.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4540 0.2070 -4.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2550 2.2430 -5.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3730 3.2440 -3.9370 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1590 1.1980 -2.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7010 3.7060 -6.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0610 5.2770 -7.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2580 7.3180 -8.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1150 8.1470 -8.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1020 6.1170 -6.9260 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 27 1 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 4 5 1 0 0 0 0 4 29 1 0 0 0 0 4 30 1 0 0 0 0 5 31 1 0 0 0 0 5 32 1 0 0 0 0 5 33 1 0 0 0 0 6 7 2 0 0 0 0 6 8 2 0 0 0 0 6 9 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 34 1 0 0 0 0 11 12 1 0 0 0 0 11 35 1 0 0 0 0 12 13 2 0 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 13 36 1 0 0 0 0 14 37 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 16 38 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 39 1 0 0 0 0 19 20 1 0 0 0 0 19 40 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 41 1 0 0 0 0 22 42 1 0 0 0 0 M END