IBS-ZINC05248539 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 42 0 0 0 0 0 0 0 0999 V2000 -0.1690 1.3940 1.6890 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2130 -0.1340 1.6400 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2580 -0.5530 0.7610 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4330 -1.8910 0.6040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6130 -2.7820 1.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7860 -4.1410 1.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7850 -4.6250 0.2890 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6110 -3.7280 -0.3970 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4340 -2.3650 -0.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5870 -4.1930 -1.2190 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9730 -6.0860 0.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9500 -7.0360 -0.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5420 -8.2600 -0.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8680 -8.0920 -0.0350 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5360 -8.7960 -0.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1170 -6.7320 0.1790 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8400 -9.5690 -0.4710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4990 -6.7500 -0.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3980 -7.2220 0.6920 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7450 -6.9530 0.5600 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2040 -6.2160 -0.5180 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3150 -5.7440 -1.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9670 -6.0130 -1.3490 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0510 -5.8510 -0.6920 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.6280 1.7140 2.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0200 1.7840 0.6890 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1240 1.7740 2.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7420 -0.5140 1.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4020 -0.5240 2.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1630 -2.4080 1.9380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1460 -4.8310 1.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0720 -1.6700 -0.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4380 -4.3330 -0.7810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5490 -10.0170 0.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5120 -10.2450 -1.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0490 -9.3920 -1.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0410 -7.7970 1.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4420 -7.3190 1.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6780 -5.1690 -2.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2740 -5.6490 -2.0940 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 28 1 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 30 1 0 0 0 0 6 7 1 0 0 0 0 6 31 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 10 1 0 0 0 0 9 32 1 0 0 0 0 10 33 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 18 1 0 0 0 0 13 14 1 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 17 36 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 37 1 0 0 0 0 20 21 1 0 0 0 0 20 38 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 39 1 0 0 0 0 23 40 1 0 0 0 0 M END