PUBCHEM-ZINC04417798 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 49 0 0 0 0 0 0 0 0999 V2000 -0.0140 1.4320 0.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0080 -0.0210 0.0240 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7720 -0.6980 1.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2830 -0.5320 -0.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1620 -0.3880 1.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4420 -0.8940 0.9210 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8640 -1.5520 -0.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0000 -1.7040 -1.3010 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7040 -1.1890 -1.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7800 -1.3410 -2.3670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3490 -0.8960 -2.2980 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1880 -1.9730 -3.4850 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2710 -2.1240 -4.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9770 -2.8710 -5.7500 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0580 -2.0780 -6.2430 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7880 -2.6880 -7.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1660 -2.0630 -0.3050 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.1770 -1.4230 0.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9780 -0.3540 0.8560 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5280 -2.0220 0.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5780 -1.3620 0.9750 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8370 -1.9250 0.9900 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0600 -3.1440 0.3710 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0230 -3.8040 -0.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7610 -3.2480 -0.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7890 -3.9100 0.3970 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.0060 1.8150 0.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5870 1.9080 -0.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4780 1.6500 1.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2750 -0.5530 2.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8320 -1.7640 0.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7780 -0.2800 1.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8410 0.1210 1.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1200 -0.7800 1.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3300 -2.2160 -2.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0900 -2.3280 -3.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0380 -1.1390 -4.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6060 -2.6880 -4.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2690 -3.0620 -6.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3640 -3.8190 -5.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5910 -2.0220 -7.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1180 -2.8740 -8.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2120 -3.6310 -6.9670 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3400 -2.8780 -0.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4050 -0.4110 1.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6500 -1.4150 1.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2030 -4.7540 -0.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9540 -3.7610 -0.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 33 1 0 0 0 0 6 7 1 0 0 0 0 6 34 1 0 0 0 0 7 8 2 0 0 0 0 7 17 1 0 0 0 0 8 9 1 0 0 0 0 8 35 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 36 1 0 0 0 0 13 14 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 16 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 18 1 0 0 0 0 17 44 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 45 1 0 0 0 0 22 23 1 0 0 0 0 22 46 1 0 0 0 0 23 24 2 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 24 47 1 0 0 0 0 25 48 1 0 0 0 0 M END