IBS-ZINC05452044 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 47 0 0 1 0 0 0 0 0999 V2000 3.7690 -1.7290 -3.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7870 -1.2090 -2.6000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3500 -3.4870 -1.5460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1880 -3.9970 -0.7240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5740 -2.7180 -0.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6110 -1.7500 -1.3790 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8700 -0.7430 -1.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6720 -1.7030 -2.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8070 -1.1070 -1.5460 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7790 -1.8830 -0.9330 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7390 -3.1110 -0.9810 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8320 -1.1460 -0.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1080 -1.5950 0.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7860 -0.5220 0.7550 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0730 -0.3660 1.3150 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4150 0.8560 1.9060 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5100 1.9130 1.9520 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2300 1.7780 1.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9020 0.5510 0.8150 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7320 0.1430 0.2210 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9120 0.7270 0.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1400 1.0720 2.6570 Br 0 0 0 0 0 0 0 0 0 0 0 0 -5.6710 -2.9470 -0.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3720 -2.5520 -3.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2510 -2.0820 -4.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4540 -0.9300 -3.9320 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2880 -0.9010 -1.6760 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2260 -0.3620 -3.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1790 -3.1530 -0.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6960 -4.1980 -2.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4730 -4.5370 -1.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5110 -4.6670 0.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4220 -2.8770 0.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 -2.3220 0.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4970 -1.0830 -3.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9390 -2.7060 -2.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8920 -0.1000 -1.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7860 -1.1850 1.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7890 2.8560 2.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5220 2.5990 1.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1670 -3.7030 0.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7410 -2.9950 0.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5420 -3.2050 -1.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7770 -2.2720 -2.2510 N 0 3 0 0 0 0 0 0 0 0 0 0 1.3830 -2.6190 -3.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 27 1 0 0 0 0 2 28 1 0 0 0 0 2 44 1 0 0 0 0 3 4 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 3 44 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 5 34 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 44 1 0 0 0 0 8 9 1 0 0 0 0 8 35 1 0 0 0 0 8 36 1 0 0 0 0 9 10 1 0 0 0 0 9 37 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 12 20 1 0 0 0 0 13 14 1 0 0 0 0 13 23 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 38 1 0 0 0 0 16 17 1 0 0 0 0 16 22 1 0 0 0 0 17 18 2 0 0 0 0 17 39 1 0 0 0 0 18 19 1 0 0 0 0 18 40 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 23 43 1 0 0 0 0 44 45 1 0 0 0 0 M CHG 1 44 1 M END