IBS-ZINC04897900 MOE2007 3D CORINA 3.40 0006 02.08.2006 37 38 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.4250 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 -0.8780 1.1600 P 0 0 3 0 0 0 0 0 0 0 0 0 2.1110 -0.4570 1.3130 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1810 -0.6220 2.7250 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2280 0.1900 2.7710 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9450 0.3990 4.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0470 1.2530 4.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7130 1.4440 5.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2890 0.7910 6.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1970 -0.0570 6.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5270 -0.2610 5.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6380 -2.6430 0.7100 C 0 0 3 0 0 0 0 0 0 0 0 0 1.1110 -3.2350 1.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3700 -2.8560 -0.5900 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7220 -3.1440 -0.5830 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3940 -3.3390 -1.7750 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7120 -3.2480 -2.9760 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3590 -2.9610 -2.9820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6880 -2.7700 -1.7890 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6300 -3.5150 -4.6070 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.7240 -3.0500 0.5620 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8020 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 1.7860 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7760 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1480 -1.1300 3.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5560 0.6990 1.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3790 1.7640 3.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5660 2.1050 5.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8130 0.9440 7.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8710 -0.5630 7.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6770 -0.9270 5.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2540 -3.2140 0.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4500 -3.5630 -1.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8270 -2.8890 -3.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3700 -2.5500 -1.7940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2070 -2.5640 -0.1200 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 3 4 2 0 0 0 0 3 5 1 0 0 0 0 3 13 1 0 0 0 0 5 6 2 0 0 0 0 5 26 1 0 0 0 0 6 7 1 0 0 0 0 6 27 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 28 1 0 0 0 0 9 10 1 0 0 0 0 9 29 1 0 0 0 0 10 11 2 0 0 0 0 10 30 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 15 1 0 0 0 0 13 22 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 33 1 0 0 0 0 17 18 1 0 0 0 0 17 34 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 35 1 0 0 0 0 20 36 1 0 0 0 0 22 37 1 0 0 0 0 M END