CHEMDIV-ZINC03013687 MOE2007 3D CORINA 3.40 0006 02.08.2006 38 40 0 0 1 0 0 0 0 0999 V2000 -0.3760 1.1660 0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3020 -0.0670 -0.6110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9400 -0.6410 -0.8700 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1080 0.0170 -0.4720 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0600 1.2750 0.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7940 1.8310 0.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3250 1.9860 0.5790 C 0 0 3 0 0 0 0 0 0 0 0 0 4.1860 1.5740 0.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3150 4.0540 1.2130 C 0 0 3 0 0 0 0 0 0 0 0 0 4.1440 5.1370 1.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1590 3.4740 2.6070 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6480 1.7540 2.3590 S 0 0 0 0 0 0 0 0 0 0 0 0 5.7150 3.8760 0.5450 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6790 3.8510 -0.7240 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3220 -0.5480 -0.7670 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6150 -1.6280 0.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0690 -1.9900 -0.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0690 -1.2040 0.5390 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4180 -1.5150 0.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7720 -2.6130 -0.4240 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7900 -3.3990 -1.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4420 -3.0850 -0.8430 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5980 -3.0390 -0.6750 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.3420 1.6180 0.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2120 -0.5770 -0.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9980 -1.5930 -1.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7180 2.7960 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0680 3.5120 3.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3580 3.9860 3.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4370 -1.3480 1.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9820 -2.4930 -0.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8050 -0.3350 1.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1760 -0.8880 0.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0610 -4.2510 -1.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6850 -3.6970 -1.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2800 3.4370 0.3300 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6330 3.5890 -0.6290 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6980 3.7800 1.3280 O 0 5 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 24 1 0 0 0 0 2 3 2 0 0 0 0 2 25 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 15 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 27 1 0 0 0 0 7 8 1 0 0 0 0 7 12 1 0 0 0 0 7 36 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 13 1 0 0 0 0 9 36 1 0 0 0 0 11 12 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 13 14 2 0 0 0 0 13 38 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 30 1 0 0 0 0 16 31 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 32 1 0 0 0 0 19 20 1 0 0 0 0 19 33 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 34 1 0 0 0 0 22 35 1 0 0 0 0 36 37 1 0 0 0 0 M CHG 1 38 -1 M END