PUBCHEM-ZINC03871775 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 55 0 0 1 0 0 0 0 0999 V2000 -0.2460 1.1340 0.4030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2460 -0.2680 0.1670 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4440 -0.7360 -0.9230 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0340 0.0870 -1.8910 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7180 -0.4630 -2.9850 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8180 -1.8580 -3.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2290 -2.7050 -2.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5400 -2.1350 -1.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2700 -3.2740 0.2430 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.2690 -4.0760 -2.2170 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0170 -4.6610 -3.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8650 -6.1770 -3.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7460 -6.8370 -4.2900 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4870 -8.3440 -4.4420 C 0 0 3 0 0 0 0 0 0 0 0 0 2.5750 -8.8180 -3.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5330 -8.9500 -5.3960 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5350 -10.4780 -5.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6930 -11.1180 -6.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4090 -10.3500 -6.8760 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0700 -8.5820 -5.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7350 -7.8590 -5.9910 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3370 0.4300 -4.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8150 0.6410 -3.8770 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2870 1.5960 -2.9950 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5890 1.8600 -2.7870 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4570 1.1270 -3.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1100 0.1690 -4.3590 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7980 -0.0710 -4.5470 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5170 -1.0700 -5.4490 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7920 1.3750 -3.3120 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7740 1.5160 0.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7820 1.6660 -0.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7780 1.3140 1.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9630 1.1690 -1.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3590 -2.2650 -3.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6320 -4.3120 -4.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0750 -4.3910 -3.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1350 -6.5450 -2.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8080 -6.4310 -3.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6080 -6.3290 -5.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7960 -6.6760 -4.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3730 -8.5840 -6.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5300 -8.6030 -5.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5880 -10.8440 -4.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6010 -10.8520 -5.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1020 0.0300 -5.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8360 1.4080 -4.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6080 2.2090 -2.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5930 -1.3660 -5.7140 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3190 -1.5280 -5.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0590 2.0940 -2.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4510 0.8280 -3.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7970 -12.3700 -6.0120 O 0 5 0 0 0 0 0 0 0 0 0 0 0.3940 -9.4560 -4.3940 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 34 1 0 0 0 0 5 6 1 0 0 0 0 5 22 1 0 0 0 0 6 7 2 0 0 0 0 6 35 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 13 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 14 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 20 1 0 0 0 0 16 17 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 17 45 1 0 0 0 0 18 19 2 0 0 0 0 18 53 1 0 0 0 0 20 21 2 0 0 0 0 20 54 1 0 0 0 0 22 23 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 48 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 26 30 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 49 1 0 0 0 0 29 50 1 0 0 0 0 30 51 1 0 0 0 0 30 52 1 0 0 0 0 M CHG 1 53 -1 M CHG 1 54 -1 M END