ANALYTICONDISCOVERY-ZINC08300050 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 44 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 -1.2950 -0.6030 0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1560 -2.1040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0540 -2.6100 -0.0110 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2560 -2.8820 0.0080 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1200 -4.3410 -0.0010 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.2550 -4.6260 -0.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9480 -4.8540 1.4340 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6280 -6.3450 1.3750 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6240 -7.0650 0.5810 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3380 -6.4770 -0.5330 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.3760 -6.7900 -0.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3810 -4.9720 -0.5860 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8750 -7.0840 -1.8230 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3050 -6.3920 -2.6400 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0830 -8.3750 -2.0840 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8140 -9.2280 -1.2730 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6640 -10.1300 -1.9200 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4430 -11.0070 -1.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3920 -11.0040 0.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5580 -10.1290 0.8410 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7510 -9.2320 0.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8670 -8.3540 0.8960 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3220 -8.8160 1.8800 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4700 -12.2020 1.1750 Br 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 -1.8320 -0.2940 0.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8490 -0.2840 -0.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1370 -2.4770 0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1300 -4.3210 1.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8710 -4.6980 1.9930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6440 -6.4820 0.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6160 -6.7490 2.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2460 -4.6230 -0.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4860 -4.6560 -1.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6970 -8.7410 -2.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7120 -10.1380 -2.9990 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0940 -11.6970 -1.7140 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5220 -10.1300 1.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 14 1 0 0 0 0 9 10 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 11 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 12 1 0 0 0 0 11 24 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 39 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 40 1 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 21 22 2 0 0 0 0 21 26 1 0 0 0 0 22 23 1 0 0 0 0 22 42 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 M END