PUBCHEM-ZINC06497787 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 42 0 0 0 0 0 0 0 0999 V2000 2.1680 -5.1670 1.9900 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6060 -4.6340 0.7950 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5090 -3.2130 0.8390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 -2.6750 -0.5030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3640 -4.6820 -1.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3450 -4.8620 -2.4420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2680 -3.6590 -3.2280 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0360 -3.7780 -4.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5180 -2.8400 0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7880 -1.3880 0.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5130 -0.4830 -0.5660 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4320 0.7270 0.0660 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.0150 2.0330 -0.3160 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7350 3.0630 0.5720 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9670 2.7880 1.6910 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4680 1.5700 1.9780 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7150 0.6040 1.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3070 -0.6490 1.2940 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7660 -0.9600 2.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4190 -0.8640 -2.1710 Br 0 0 0 0 0 0 0 0 0 0 0 0 3.1860 -4.7930 2.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5450 -4.9100 2.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2050 -6.2550 1.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8470 -2.9130 1.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5010 -2.7880 1.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9330 -1.5830 -0.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6780 -2.9580 -1.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6120 -5.2920 -0.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6450 -4.9150 -1.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0730 -5.7400 -3.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3680 -4.9800 -2.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6410 -4.5830 -5.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0870 -3.9630 -4.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9600 -2.8360 -4.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3130 -3.3000 0.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4200 -3.3100 -0.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6110 2.1840 -1.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1130 4.0650 0.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7270 3.5700 2.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3730 -3.1970 -0.8950 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.5850 -2.7800 -1.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 24 1 0 0 0 0 3 25 1 0 0 0 0 4 26 1 0 0 0 0 4 27 1 0 0 0 0 4 40 1 0 0 0 0 5 6 1 0 0 0 0 5 28 1 0 0 0 0 5 29 1 0 0 0 0 5 40 1 0 0 0 0 6 7 1 0 0 0 0 6 30 1 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 8 32 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 9 10 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 9 40 1 0 0 0 0 10 11 2 0 0 0 0 10 18 1 0 0 0 0 11 12 1 0 0 0 0 11 20 1 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 37 1 0 0 0 0 14 15 1 0 0 0 0 14 38 1 0 0 0 0 15 16 2 0 0 0 0 15 39 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 40 41 1 0 0 0 0 M CHG 1 12 1 M CHG 1 40 1 M END