IBS-ZINC00646701 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 37 0 0 0 0 0 0 0 0999 V2000 0.0920 1.3520 0.5190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1090 -0.1660 0.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6880 -0.4850 -0.9820 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1760 -2.0320 -1.3160 S 0 0 0 0 0 0 0 0 0 0 0 0 1.6520 -2.0220 -2.6550 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9670 -2.4500 -0.2120 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2650 -3.0460 -1.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9800 -3.2380 -2.4760 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1100 -4.0330 -2.4730 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5270 -4.6400 -1.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8060 -4.4460 -0.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6750 -3.6540 -0.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6710 -5.4450 -1.2890 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9850 -6.1780 -2.3760 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2260 -6.2150 -3.3250 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2530 -6.9370 -2.4140 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5910 -7.7020 -3.5370 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7900 -8.3940 -3.5220 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6070 -8.3080 -2.4080 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2620 -7.5790 -1.3650 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.1300 -6.9070 -1.3290 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3050 -9.4450 -5.0070 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.1100 1.7360 0.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5090 1.8110 -0.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3390 1.5890 1.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7090 -0.6250 1.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9100 -0.5500 0.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7850 0.2100 -1.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6550 -2.7660 -3.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6680 -4.1820 -3.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1280 -4.9160 0.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1120 -3.5050 0.7740 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2380 -5.4760 -0.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9340 -7.7500 -4.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5430 -8.8470 -2.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8800 -6.3250 -0.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 26 1 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 28 1 0 0 0 0 4 5 2 0 0 0 0 4 6 2 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 29 1 0 0 0 0 9 10 1 0 0 0 0 9 30 1 0 0 0 0 10 11 2 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 11 31 1 0 0 0 0 12 32 1 0 0 0 0 13 14 1 0 0 0 0 13 33 1 0 0 0 0 14 15 2 0 0 0 0 14 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 34 1 0 0 0 0 18 19 1 0 0 0 0 18 22 1 0 0 0 0 19 20 2 0 0 0 0 19 35 1 0 0 0 0 20 21 1 0 0 0 0 21 36 1 0 0 0 0 M END