PUBCHEM-ZINC02843125 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 43 0 0 0 0 0 0 0 0999 V2000 0.1160 1.5890 0.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 0.1960 -0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2440 -0.5310 -0.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4800 0.1100 -0.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5290 1.5030 -0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3500 2.2650 0.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4150 3.7220 0.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4370 4.6390 0.3070 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8280 5.9170 0.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4530 5.7390 0.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2230 4.3870 0.1680 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5580 6.7440 0.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8770 6.5020 0.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4920 5.2250 0.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0500 4.2110 0.0170 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9580 7.8730 0.1900 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.9930 7.6600 1.1850 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2110 9.1200 0.1840 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7350 7.7590 -1.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0020 7.1810 -1.5250 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6070 7.1070 -2.7800 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9490 7.6190 -3.9000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6890 8.2090 -3.7780 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0780 8.2860 -2.5250 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7740 7.5180 -5.5980 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.1470 -2.3320 -0.2570 S 0 0 0 0 0 0 0 0 0 0 0 0 2.5140 -2.7610 0.0240 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1750 -2.6620 0.7820 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6620 -2.6220 -1.7450 N 0 5 0 0 0 0 0 0 0 0 0 0 1.4010 -2.3090 -2.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8180 2.1410 0.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9010 -0.3130 -0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4010 -0.4620 -0.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5050 1.9820 -0.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4940 4.4220 0.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3360 6.8680 0.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1970 7.7680 0.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5250 6.7840 -0.6570 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5900 6.6520 -2.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1800 8.6160 -4.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1020 8.7580 -2.4360 H 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 31 1 0 0 0 0 2 3 2 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 3 26 1 0 0 0 0 4 5 2 0 0 0 0 4 33 1 0 0 0 0 5 6 1 0 0 0 0 5 34 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 8 35 1 0 0 0 0 9 10 2 0 0 0 0 9 36 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 12 37 1 0 0 0 0 13 14 1 0 0 0 0 13 16 1 0 0 0 0 14 15 3 0 0 0 0 16 17 2 0 0 0 0 16 18 2 0 0 0 0 16 19 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 38 1 0 0 0 0 21 22 1 0 0 0 0 21 39 1 0 0 0 0 22 23 2 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 23 40 1 0 0 0 0 24 41 1 0 0 0 0 26 27 2 0 0 0 0 26 28 2 0 0 0 0 26 29 1 0 0 0 0 29 30 1 0 0 0 0 M CHG 1 29 -1 M END