PUBCHEM-ZINC06417338 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 42 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.4610 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 N 0 3 0 0 0 0 0 0 0 0 0 0 0.0220 -0.6990 1.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0280 -0.2160 2.4730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0500 -1.0820 3.5230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0670 -2.4540 3.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0620 -2.9540 2.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -2.0850 0.9420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0270 -2.3950 -0.7920 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.0050 -0.6660 -1.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0330 -0.0620 -2.4440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0380 -0.8500 -3.5450 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0650 -0.2650 -4.8350 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0720 -0.9470 -6.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1010 0.0180 -7.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1090 1.2390 -6.4390 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0930 1.0570 -5.1060 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1370 2.5440 -7.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1430 3.7290 -6.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1690 4.9440 -7.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1900 4.9920 -8.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1840 3.8220 -9.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1520 2.6000 -8.5240 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2260 6.6640 -9.3060 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8380 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5450 1.8220 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.8120 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 0.8480 2.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0560 -0.6960 4.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0850 -3.1280 4.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0740 -4.0220 1.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0490 1.0130 -2.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0210 -1.9250 -3.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0590 -2.0190 -6.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1130 -0.1690 -8.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1270 3.6920 -5.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1730 5.8610 -6.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2010 3.8660 -10.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1440 1.6870 -9.1030 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 10 2 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 28 1 0 0 0 0 5 6 1 0 0 0 0 5 29 1 0 0 0 0 6 7 2 0 0 0 0 6 30 1 0 0 0 0 7 8 1 0 0 0 0 7 31 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 32 1 0 0 0 0 12 13 1 0 0 0 0 12 33 1 0 0 0 0 13 14 2 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 14 34 1 0 0 0 0 15 16 2 0 0 0 0 15 35 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 36 1 0 0 0 0 20 21 1 0 0 0 0 20 37 1 0 0 0 0 21 22 2 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 22 38 1 0 0 0 0 23 39 1 0 0 0 0 M CHG 1 2 1 M END