PUBCHEM-ZINC04534230 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 55 0 0 1 0 0 0 0 0999 V2000 -0.5840 1.4720 -0.5370 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7360 0.0060 -0.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4110 -0.4110 0.6960 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0750 -0.8020 -1.1320 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0160 -2.2770 -1.1160 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6250 -2.5440 -0.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3890 -2.9650 -0.9170 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.1390 -2.5070 -1.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3160 -4.4700 -1.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6570 -4.7960 -2.5200 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6540 -4.1880 -2.5280 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6260 -2.7640 -2.4400 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0390 -2.3590 -3.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0780 -2.2440 -2.6150 C 0 0 3 0 0 0 0 0 0 0 0 0 2.6500 -2.5030 -1.7140 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7540 -2.8980 -3.8410 C 0 0 3 0 0 0 0 0 0 0 0 0 2.1270 -2.7850 -4.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1390 -2.3240 -4.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7450 -3.1180 -5.1690 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4710 -4.0320 -4.9370 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9530 -4.3090 -3.6390 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1090 -4.6640 -3.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0410 -0.8150 -2.7360 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9430 -0.4820 -2.5710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5410 -6.3710 -2.5180 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6350 -7.0110 -2.4830 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5370 -4.3450 -3.5690 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0740 -4.3830 -4.8440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0610 -5.1620 -5.3510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0480 -4.8940 -6.6880 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7130 -5.3320 -7.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8760 -3.9460 -7.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6090 -3.5990 -5.9190 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6250 -2.6240 -6.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8770 -2.0480 -7.3230 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1260 -2.4300 -8.4340 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1110 -3.3830 -8.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2240 -0.7330 -7.5860 Br 0 0 0 0 0 0 0 0 0 0 0 0 -3.4810 -2.2030 -4.6440 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.8560 -2.8230 0.4320 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7880 -1.8630 0.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4590 1.7100 -0.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2120 1.7370 -1.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8930 2.0560 0.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4900 -0.3590 -1.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7550 -4.9380 -0.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3350 -4.8760 -1.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0880 -1.2870 -4.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7900 -2.3770 -3.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5960 -5.8940 -4.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3180 -1.9890 -9.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5260 -3.6750 -9.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6410 -6.8350 -2.5490 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 42 1 0 0 0 0 1 43 1 0 0 0 0 1 44 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 4 45 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 12 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 40 1 0 0 0 0 9 10 1 0 0 0 0 9 46 1 0 0 0 0 9 47 1 0 0 0 0 10 11 1 0 0 0 0 10 25 1 0 0 0 0 10 27 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 23 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 21 1 0 0 0 0 18 19 1 0 0 0 0 18 48 1 0 0 0 0 18 49 1 0 0 0 0 19 20 1 0 0 0 0 21 22 1 0 0 0 0 23 24 1 0 0 0 0 25 26 2 0 0 0 0 25 53 1 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 28 33 1 0 0 0 0 29 30 1 0 0 0 0 29 50 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 32 33 1 0 0 0 0 32 37 2 0 0 0 0 33 34 2 0 0 0 0 34 35 1 0 0 0 0 34 39 1 0 0 0 0 35 36 2 0 0 0 0 35 38 1 0 0 0 0 36 37 1 0 0 0 0 36 51 1 0 0 0 0 37 52 1 0 0 0 0 40 41 1 0 0 0 0 M CHG 1 53 -1 M END