PUBCHEM-ZINC02895397 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 40 0 0 1 0 0 0 0 0999 V2000 1.0400 1.4410 0.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0840 0.2830 -0.1780 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.9440 0.6520 -0.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1970 -0.6840 1.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7190 -1.8080 0.7520 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4120 -0.4090 -1.4320 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2520 0.1170 -2.6920 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1780 1.2360 -2.9470 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7330 -0.7930 -3.7770 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0660 -0.9720 -3.8190 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7270 -1.7640 -4.8050 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0800 -2.0770 -4.8950 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2670 -2.8910 -6.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0260 -3.0380 -6.5990 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0960 -2.3680 -5.8770 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1350 -1.3340 -4.7040 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5150 -1.2580 -4.6880 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2090 -0.8370 -3.7720 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1920 -1.8040 -5.8930 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4420 -2.4170 -5.7360 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1140 -2.9360 -6.8450 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5390 -2.8310 -8.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3030 -2.2070 -8.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6280 -1.6880 -7.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4470 -3.5310 -9.6140 Br 0 0 0 0 0 0 0 0 0 0 0 0 2.0760 1.0890 0.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0030 2.1780 -0.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7950 1.9600 1.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7610 -1.3560 -1.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6970 -0.4940 -3.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8440 -1.7520 -4.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1910 -3.3170 -6.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6560 -3.5610 -7.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3160 -1.8510 -5.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8960 -2.4940 -4.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0800 -3.4140 -6.7090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8590 -2.1100 -9.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6820 -1.1770 -7.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2380 -0.2470 2.1400 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 6 1 0 0 0 0 4 5 2 0 0 0 0 4 39 1 0 0 0 0 6 7 1 0 0 0 0 6 29 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 9 16 1 0 0 0 0 10 11 1 0 0 0 0 10 30 1 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 12 31 1 0 0 0 0 13 14 2 0 0 0 0 13 32 1 0 0 0 0 14 15 1 0 0 0 0 14 33 1 0 0 0 0 16 17 1 0 0 0 0 16 34 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 35 1 0 0 0 0 21 22 1 0 0 0 0 21 36 1 0 0 0 0 22 23 2 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 23 37 1 0 0 0 0 24 38 1 0 0 0 0 M CHG 1 39 -1 M END