PUBCHEM-ZINC03752800 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 46 0 0 0 0 0 0 0 0999 V2000 -0.1780 1.6810 0.4930 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0090 0.1910 0.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5590 -0.5070 1.4990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7490 -2.0040 1.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2630 -2.5690 2.4740 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4940 -3.9200 2.4860 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2980 -4.7910 1.4140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5670 -6.1610 1.5340 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0450 -6.6260 2.7640 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2570 -5.7900 3.8560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9710 -4.4150 3.7090 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7510 -6.5990 4.9340 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8340 -7.9050 4.4610 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3860 -7.8950 3.1600 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3210 -8.7140 2.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2540 -9.1430 5.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5140 -9.5930 6.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8600 -10.7700 6.8930 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9520 -11.5170 6.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7020 -11.0870 5.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3580 -9.9050 4.7000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4650 -9.3860 3.2420 Br 0 0 0 0 0 0 0 0 0 0 0 0 3.1380 -6.1040 6.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9030 -5.7600 7.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3340 -6.7370 7.6960 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7720 2.1610 0.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5730 2.1600 -0.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8830 1.8640 1.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9530 -0.2530 -0.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6930 0.0430 -0.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5170 -0.0600 1.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1160 -0.3550 2.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2170 -2.4610 1.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4600 -2.1590 0.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9300 -4.4380 0.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4090 -6.8330 0.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1120 -3.7410 4.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6590 -9.0180 6.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2760 -11.0940 7.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2240 -12.4310 6.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5580 -11.6750 5.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7350 -6.8490 6.8330 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7760 -5.2170 6.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6180 -4.5280 7.1830 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 29 1 0 0 0 0 2 30 1 0 0 0 0 3 4 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 33 1 0 0 0 0 4 34 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 35 1 0 0 0 0 8 9 1 0 0 0 0 8 36 1 0 0 0 0 9 10 2 0 0 0 0 9 14 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 11 37 1 0 0 0 0 12 13 2 0 0 0 0 12 23 1 0 0 0 0 13 14 1 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 38 1 0 0 0 0 18 19 1 0 0 0 0 18 39 1 0 0 0 0 19 20 2 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 21 22 1 0 0 0 0 23 24 1 0 0 0 0 23 42 1 0 0 0 0 23 43 1 0 0 0 0 24 25 2 0 0 0 0 24 44 1 0 0 0 0 M CHG 1 44 -1 M END