IBS-ZINC04897899 MOE2007 3D CORINA 3.40 0006 02.08.2006 37 38 0 0 1 0 0 0 0 0999 V2000 -0.1240 1.4390 0.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0160 0.0160 0.0070 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7920 -0.8590 1.0910 P 0 0 3 0 0 0 0 0 0 0 0 0 2.1760 -0.3500 1.2030 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8260 -2.5940 0.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2360 -2.9540 -0.5690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2640 -4.3680 -1.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -4.7500 -2.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3260 -6.0720 -2.5860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3170 -7.0160 -1.8070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9340 -6.6440 -0.6260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9170 -5.3250 -0.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0350 -0.7340 2.7110 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.1300 0.3150 2.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4050 -1.3570 2.6250 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5580 -2.7180 2.8150 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8140 -3.2890 2.7370 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9180 -2.4990 2.4700 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7640 -1.1380 2.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5080 -0.5660 2.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6370 -3.2800 2.3620 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.7400 -1.4220 3.6950 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8730 1.8770 0.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6400 1.8100 -0.8050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6870 1.7150 0.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3280 -3.3340 1.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2660 -2.2150 -1.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8590 -4.0140 -2.7990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8060 -6.3690 -3.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3380 -8.0490 -2.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4340 -7.3860 -0.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 -5.0340 0.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6960 -3.3340 3.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9340 -4.3520 2.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6250 -0.5200 2.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3880 0.4970 2.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8650 -2.3630 3.5100 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