PUBCHEM-ZINC04651887 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 38 0 0 0 0 0 0 0 0999 V2000 0.0380 1.5030 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0430 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0630 -0.6980 1.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0690 -2.0590 1.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0530 -2.7820 0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0320 -2.0700 -1.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0220 -0.6710 -1.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 -2.8270 -2.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0220 -4.2120 -2.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0440 -4.8170 -1.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0580 -4.1150 0.0270 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0500 -6.2970 -1.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0710 -6.9250 0.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0770 -8.3030 0.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0630 -9.0610 -0.8380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -8.4440 -2.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0300 -7.0650 -2.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0240 -9.4890 -3.6530 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.0070 -2.1460 -3.7580 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1150 -0.9370 -3.8130 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0920 -2.7880 2.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0640 1.8700 -0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4900 1.8700 -0.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4640 1.8600 0.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0750 -0.1470 2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0030 -0.1220 -2.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0110 -4.8190 -3.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0830 -6.3340 1.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0940 -8.7900 1.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0680 -10.1400 -0.7750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0090 -6.5840 -3.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9300 -2.9670 2.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6070 -3.7400 2.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6150 -2.1830 3.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0930 -2.8650 -4.8930 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0740 -2.3750 -5.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 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 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 25 1 0 0 0 0 4 5 1 0 0 0 0 4 21 1 0 0 0 0 5 6 1 0 0 0 0 5 11 2 0 0 0 0 6 7 1 0 0 0 0 6 8 2 0 0 0 0 7 26 1 0 0 0 0 8 9 1 0 0 0 0 8 19 1 0 0 0 0 9 10 2 0 0 0 0 9 27 1 0 0 0 0 10 11 1 0 0 0 0 10 12 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 28 1 0 0 0 0 14 15 1 0 0 0 0 14 29 1 0 0 0 0 15 16 2 0 0 0 0 15 30 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 17 31 1 0 0 0 0 19 20 2 0 0 0 0 19 35 1 0 0 0 0 21 32 1 0 0 0 0 21 33 1 0 0 0 0 21 34 1 0 0 0 0 35 36 1 0 0 0 0 M END