PUBCHEM-ZINC02548104 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 50 0 0 0 0 0 0 0 0999 V2000 0.3700 0.9490 0.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2370 1.1510 2.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6120 1.5900 3.6680 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6990 3.2940 2.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8220 2.8070 1.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7810 3.5300 4.7440 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7200 5.0490 4.8690 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4090 5.5270 6.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2850 7.0440 6.3030 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9220 7.4880 7.5270 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8500 8.8330 7.8700 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4640 9.3310 9.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2070 8.5660 9.9800 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7700 9.1680 11.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6100 10.5280 11.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8800 11.2820 10.3960 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3070 10.7100 9.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6270 11.5070 8.4380 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0890 10.9320 7.3590 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1660 9.6410 7.0320 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.7540 8.1300 12.3390 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.5980 -0.1200 0.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3150 1.5000 -0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1700 1.0820 -0.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1990 1.6810 2.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4520 0.0810 2.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5430 1.0170 3.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0380 1.4810 4.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8820 4.3680 2.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6540 2.7590 2.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3850 2.9510 0.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0780 3.4340 0.9850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3250 3.0680 5.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8060 3.1590 4.6370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6730 5.3760 4.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2010 5.5240 4.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4680 5.2390 6.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9600 5.0340 7.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2200 7.3100 6.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7520 7.5320 5.4390 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4060 6.8260 8.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3500 7.5000 9.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0410 11.0160 12.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7560 12.3500 10.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5370 11.5760 6.6850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4550 1.3870 1.1860 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9890 3.0620 3.5410 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.1050 3.5870 3.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 46 1 0 0 0 0 2 3 1 0 0 0 0 2 25 1 0 0 0 0 2 26 1 0 0 0 0 2 46 1 0 0 0 0 3 27 1 0 0 0 0 3 28 1 0 0 0 0 3 47 1 0 0 0 0 4 5 1 0 0 0 0 4 29 1 0 0 0 0 4 30 1 0 0 0 0 4 47 1 0 0 0 0 5 31 1 0 0 0 0 5 32 1 0 0 0 0 5 46 1 0 0 0 0 6 7 1 0 0 0 0 6 33 1 0 0 0 0 6 34 1 0 0 0 0 6 47 1 0 0 0 0 7 8 1 0 0 0 0 7 35 1 0 0 0 0 7 36 1 0 0 0 0 8 9 1 0 0 0 0 8 37 1 0 0 0 0 8 38 1 0 0 0 0 9 10 1 0 0 0 0 9 39 1 0 0 0 0 9 40 1 0 0 0 0 10 11 1 0 0 0 0 10 41 1 0 0 0 0 11 12 1 0 0 0 0 11 20 2 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 42 1 0 0 0 0 14 15 1 0 0 0 0 14 21 1 0 0 0 0 15 16 2 0 0 0 0 15 43 1 0 0 0 0 16 17 1 0 0 0 0 16 44 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 19 45 1 0 0 0 0 47 48 1 0 0 0 0 M CHG 1 47 1 M END