PUBCHEM-ZINC06078423 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 47 0 0 0 0 0 0 0 0999 V2000 -0.4270 -2.1050 -0.6010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3610 -0.8180 -0.3490 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5500 0.3340 -0.4070 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0670 1.5230 0.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2660 1.2910 1.6940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9500 0.5880 -1.7150 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2980 0.4850 -2.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7030 0.7320 -3.3410 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7630 1.0920 -4.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4020 1.1970 -3.9720 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0070 0.9480 -2.6700 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8170 1.0930 -2.1910 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.5150 1.5440 -4.9100 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1950 1.3570 -5.6900 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0920 0.5120 -6.3050 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6650 0.8710 -7.5670 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1190 1.1570 -8.5680 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4630 -0.7620 -5.6630 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4480 -1.6090 -6.1020 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.0160 -1.4790 -6.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4790 -2.6830 -5.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2450 -3.8380 -5.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0230 -4.7400 -4.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0400 -4.5000 -3.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2760 -3.3690 -3.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4820 -2.4400 -4.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8970 -1.2600 -4.5890 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5710 0.0000 -0.7490 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.1990 -2.2130 0.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8930 -2.0590 -1.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2480 -2.9590 -0.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8270 -0.8630 0.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1320 -0.7090 -1.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0320 1.7090 -0.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5830 2.3850 0.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7000 1.1050 2.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9160 0.4290 1.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7230 2.1740 2.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7480 0.6500 -3.6010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6640 2.4960 -4.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8100 2.2150 -6.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0120 -4.0290 -5.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6190 -5.6380 -4.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8770 -5.2150 -2.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5140 -3.1930 -2.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 32 1 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 4 5 1 0 0 0 0 4 34 1 0 0 0 0 4 35 1 0 0 0 0 5 36 1 0 0 0 0 5 37 1 0 0 0 0 5 38 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 28 1 0 0 0 0 8 9 1 0 0 0 0 8 39 1 0 0 0 0 9 10 2 0 0 0 0 9 14 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 13 40 1 0 0 0 0 14 15 2 0 0 0 0 14 41 1 0 0 0 0 15 16 1 0 0 0 0 15 18 1 0 0 0 0 16 17 3 0 0 0 0 18 19 1 0 0 0 0 18 27 2 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 42 1 0 0 0 0 23 24 1 0 0 0 0 23 43 1 0 0 0 0 24 25 2 0 0 0 0 24 44 1 0 0 0 0 25 26 1 0 0 0 0 25 45 1 0 0 0 0 26 27 1 0 0 0 0 M END