IBS-ZINC04227987 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 38 0 0 0 0 0 0 0 0999 V2000 -0.0950 1.4420 0.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1300 0.0920 -0.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0720 -0.5510 -0.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2760 0.0580 -0.3520 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2920 1.3710 -0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1330 2.0970 0.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6230 1.9820 0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8590 1.4790 0.4080 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8300 2.5200 0.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2190 2.6200 0.4540 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8740 3.8190 0.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1820 4.9070 -0.3750 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8080 4.8280 -0.6170 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1650 3.6230 -0.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8470 3.2640 -0.4460 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1370 3.8650 -0.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7360 3.9660 0.4670 Br 0 0 0 0 0 0 0 0 0 0 0 0 5.1440 0.1100 0.9570 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6430 -0.8570 -0.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8610 -2.2580 0.4450 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3490 -3.2950 -0.5730 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7330 -2.8500 -1.6890 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0160 1.9810 0.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0680 -0.4470 -0.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1020 -1.6050 -0.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1710 3.1440 0.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7640 1.7730 0.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7050 5.8320 -0.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2660 5.6720 -1.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8980 0.1920 1.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2480 -0.2940 1.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9230 -0.9030 -0.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5790 -0.4780 -0.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6000 -2.2180 1.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9220 -2.6250 0.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3100 -4.4880 -0.1540 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 23 1 0 0 0 0 2 3 2 0 0 0 0 2 24 1 0 0 0 0 3 4 1 0 0 0 0 3 25 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 26 1 0 0 0 0 7 8 2 0 0 0 0 7 15 1 0 0 0 0 8 9 1 0 0 0 0 8 18 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 27 1 0 0 0 0 11 12 1 0 0 0 0 11 17 1 0 0 0 0 12 13 2 0 0 0 0 12 28 1 0 0 0 0 13 14 1 0 0 0 0 13 29 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 18 19 1 0 0 0 0 18 30 1 0 0 0 0 18 31 1 0 0 0 0 19 20 1 0 0 0 0 19 32 1 0 0 0 0 19 33 1 0 0 0 0 20 21 1 0 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 21 22 2 0 0 0 0 21 36 1 0 0 0 0 M CHG 1 36 -1 M END