IBS-ZINC02350985 MOE2007 3D CORINA 3.40 0006 02.08.2006 24 24 0 0 0 0 0 0 0 0999 V2000 -0.0260 1.2950 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0040 -0.0140 -0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3130 -0.7470 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3640 -1.6810 1.1080 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4560 -2.4490 1.2970 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7810 -2.3330 0.2200 S 0 0 0 0 0 0 0 0 0 0 0 0 2.5030 -3.3080 2.3350 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5830 -4.1790 2.4690 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5750 -5.1350 3.4790 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6520 -5.9930 3.6020 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7060 -5.8660 2.7060 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6480 -4.8930 1.7270 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6030 -4.0920 1.6310 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2060 -7.0110 2.8260 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.9010 1.8500 -0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9700 1.8200 0.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9310 -0.5700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4110 -1.2990 -0.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1280 -0.0290 0.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6130 -1.7460 1.7180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7860 -3.3200 2.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7380 -5.2060 4.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6740 -6.7450 4.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4640 -4.7900 1.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 15 1 0 0 0 0 1 16 1 0 0 0 0 2 3 1 0 0 0 0 2 17 1 0 0 0 0 3 4 1 0 0 0 0 3 18 1 0 0 0 0 3 19 1 0 0 0 0 4 5 1 0 0 0 0 4 20 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 21 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 22 1 0 0 0 0 10 11 1 0 0 0 0 10 23 1 0 0 0 0 11 12 2 0 0 0 0 11 14 1 0 0 0 0 12 13 1 0 0 0 0 12 24 1 0 0 0 0 M END