PUBCHEM-ZINC05561271 MOE2007 3D CORINA 3.40 0006 02.08.2006 35 36 0 0 0 0 0 0 0 0999 V2000 -0.0360 1.3000 0.3890 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2890 -0.1700 0.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6290 -0.9650 1.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9360 -2.4080 1.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7380 -2.8200 0.2690 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2270 -3.1350 2.0190 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2340 -4.5290 2.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0160 -5.4240 1.5170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9770 -6.7920 1.8000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1550 -7.2670 2.8190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6310 -6.3880 3.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6040 -5.0090 3.2900 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4610 -4.0570 4.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3870 -2.8220 3.7740 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.1060 -9.1200 3.1960 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.1060 -0.6650 -1.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9500 -0.2320 -2.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7650 -0.6960 -3.5160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2650 -1.5910 -3.8030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1130 -2.0250 -2.7850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9300 -1.5630 -1.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9620 1.5710 0.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7760 1.9010 -0.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0880 1.5860 1.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7040 -0.5690 2.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4320 -2.6400 2.6670 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6640 -5.0820 0.7170 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5920 -7.4740 1.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2730 -6.7620 4.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7650 0.4560 -2.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4310 -0.3630 -4.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4050 -1.9530 -4.8170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9140 -2.7250 -3.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6000 -1.9110 -0.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1720 -4.5460 5.0340 O 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 2 0 0 0 0 2 16 1 0 0 0 0 3 4 1 0 0 0 0 3 25 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 26 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 27 1 0 0 0 0 9 10 1 0 0 0 0 9 28 1 0 0 0 0 10 11 2 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 11 29 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 35 2 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 30 1 0 0 0 0 18 19 1 0 0 0 0 18 31 1 0 0 0 0 19 20 2 0 0 0 0 19 32 1 0 0 0 0 20 21 1 0 0 0 0 20 33 1 0 0 0 0 21 34 1 0 0 0 0 M CHG 1 14 -1 M END