PUBCHEM-ZINC03742265 MOE2007 3D CORINA 3.40 0006 02.08.2006 37 39 0 0 0 0 0 0 0 0999 V2000 0.2880 1.5460 -0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0990 0.0590 -0.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1630 -0.6510 1.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3090 -2.0530 1.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1610 -2.7100 -0.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1090 -2.0420 -1.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2480 -0.6380 -1.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1900 -3.0220 -2.3490 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0380 -4.2620 -1.7650 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2280 -4.0470 -0.4210 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3980 -4.7810 0.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0490 -5.6100 -2.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1300 -6.0890 -2.9340 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1870 -7.3670 -3.4940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0640 -8.1880 -3.4670 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1170 -7.7310 -2.8830 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1770 -6.4480 -2.3230 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8450 -5.9070 -1.5830 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.4370 -2.7360 -3.7990 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8910 -2.3340 -4.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7150 -3.2890 -4.1470 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5870 -2.7460 2.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3400 1.7860 0.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0150 2.0020 -0.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3230 1.9990 0.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2550 -0.1040 2.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4830 -0.1060 -2.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0180 -5.4580 -2.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1090 -7.7110 -3.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1070 -9.1810 -3.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9890 -8.3790 -2.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1960 -3.6040 -4.4230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2300 -1.9300 -4.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4810 -2.3220 2.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7600 -3.8170 2.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2630 -2.6230 3.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0940 -1.0900 -4.1570 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 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 26 1 0 0 0 0 4 5 1 0 0 0 0 4 22 1 0 0 0 0 5 6 2 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 27 1 0 0 0 0 8 9 2 0 0 0 0 8 19 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 10 11 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 31 1 0 0 0 0 17 18 1 0 0 0 0 19 20 1 0 0 0 0 19 32 1 0 0 0 0 19 33 1 0 0 0 0 20 21 2 0 0 0 0 20 37 1 0 0 0 0 22 34 1 0 0 0 0 22 35 1 0 0 0 0 22 36 1 0 0 0 0 M CHG 1 37 -1 M END