CHEMDIV-ZINC00718457 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 53 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3390 -0.4990 0.0120 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4980 -1.8490 0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3890 -2.6800 -0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5530 -4.0520 -0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8220 -4.6000 -0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9340 -3.7770 0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7760 -2.4000 0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8680 -1.5890 0.0420 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6680 -4.5310 0.0210 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.6550 -4.9530 -0.0320 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5630 -4.3510 -0.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6430 -5.8430 1.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8920 -5.5180 2.5200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7670 -6.6200 3.2360 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4340 -7.6740 2.3710 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2820 -8.5960 2.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3640 -7.1780 1.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0790 -7.8100 -0.0480 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3420 -7.1520 -1.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6180 -5.8300 -1.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8860 -5.2410 -2.5370 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0980 -4.7730 -3.5500 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3270 -7.8670 -2.3680 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2380 -4.1730 3.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7790 -3.7710 4.2950 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1010 -2.5200 4.7770 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8810 -1.6600 4.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3400 -2.0580 2.7670 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0260 -3.3100 2.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1960 -0.4280 4.4920 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0030 0.4050 3.6560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6040 -2.2540 -0.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9460 -5.6730 -0.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1960 -1.3490 -0.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1320 -8.8170 -2.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -7.4210 -3.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1710 -4.4390 4.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7460 -2.2080 5.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9460 -1.3870 2.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3860 -3.6210 1.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1800 1.3580 4.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9560 -0.0870 3.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4870 0.5800 2.7120 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 2 3 1 0 0 0 0 2 37 1 0 0 0 0 2 38 1 0 0 0 0 3 4 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 39 1 0 0 0 0 6 7 1 0 0 0 0 6 12 1 0 0 0 0 7 8 2 0 0 0 0 7 40 1 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 10 1 0 0 0 0 10 41 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 22 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 26 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 21 25 1 0 0 0 0 22 23 1 0 0 0 0 23 24 3 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 26 27 1 0 0 0 0 26 31 2 0 0 0 0 27 28 2 0 0 0 0 27 44 1 0 0 0 0 28 29 1 0 0 0 0 28 45 1 0 0 0 0 29 30 2 0 0 0 0 29 32 1 0 0 0 0 30 31 1 0 0 0 0 30 46 1 0 0 0 0 31 47 1 0 0 0 0 32 33 1 0 0 0 0 33 48 1 0 0 0 0 33 49 1 0 0 0 0 33 50 1 0 0 0 0 M END