PUBCHEM-ZINC05941117 MOE2007 3D CORINA 3.40 0006 02.08.2006 32 34 0 0 1 0 0 0 0 0999 V2000 -0.0160 1.3160 0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1480 -0.6770 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3510 0.0500 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2780 1.4530 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0850 2.0380 0.0030 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5760 1.8990 -0.0210 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 0.8020 -0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6640 -0.2820 -0.0340 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2760 0.8480 -0.0510 Br 0 0 0 0 0 0 0 0 0 0 0 0 4.0120 3.2980 -0.0180 C 0 0 3 0 0 0 0 0 0 0 0 0 3.1770 3.9470 -0.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5460 3.6780 1.3770 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0020 4.1310 1.1150 C 0 0 3 0 0 0 0 0 0 0 0 0 6.7040 3.3200 1.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9680 4.4790 -0.3950 C 0 0 3 0 0 0 0 0 0 0 0 0 5.5580 5.4770 -0.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0880 3.4770 -0.9540 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3680 4.3720 -1.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3290 4.8090 -2.3640 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3340 5.3120 1.9160 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3870 5.2340 3.0360 N 0 3 0 0 0 0 0 0 0 0 0 0 6.4390 5.1560 4.1570 N 0 5 0 0 0 0 0 0 0 0 0 0 1.1570 -2.0610 -0.0200 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9700 1.8230 0.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9620 4.4950 1.7990 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5280 2.8130 2.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0580 5.0000 -0.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7040 3.3360 -0.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1840 4.7690 -2.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3200 -2.5510 -0.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.5400 -0.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 25 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 3 24 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 18 1 0 0 0 0 13 14 1 0 0 0 0 13 26 1 0 0 0 0 13 27 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 21 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 19 20 1 0 0 0 0 19 28 1 0 0 0 0 19 29 1 0 0 0 0 20 30 1 0 0 0 0 21 22 2 0 0 0 0 22 23 2 0 0 0 0 24 31 1 0 0 0 0 24 32 1 0 0 0 0 M CHG 1 22 1 M CHG 1 23 -1 M END