PUBCHEM-ZINC03703021 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 47 0 0 1 0 0 0 0 0999 V2000 0.4040 0.9850 0.5270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4700 1.0880 2.8470 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7700 3.0720 1.3440 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5460 3.4850 0.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8030 2.8010 0.1160 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7410 3.1950 -0.8000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5240 4.0470 -1.8790 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5760 4.3710 -2.7430 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8640 3.8370 -2.5580 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0870 2.9960 -1.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0190 2.6670 -0.5980 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4490 2.4030 -1.1790 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5690 3.2150 -1.8160 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0070 4.2210 -3.4930 C 0 0 3 0 0 0 0 0 0 0 0 0 -7.2910 5.2510 -3.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6460 4.1620 -4.9590 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5440 5.2100 -5.8610 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1800 4.7700 -7.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0330 3.4120 -7.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3110 2.6520 -5.7220 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.5570 2.4530 -8.7630 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.3750 -0.1040 0.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3760 1.3780 0.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1740 1.2720 -0.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4690 1.4970 3.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4500 -0.0050 2.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3210 1.4390 3.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2380 3.4970 1.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3280 3.3920 2.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6950 4.5710 0.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9910 3.2140 -0.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5490 4.4780 -2.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3680 5.0490 -3.5710 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1850 1.9990 0.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4610 1.3780 -1.5710 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6270 2.3490 -0.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5250 2.6850 -1.7610 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6800 4.2060 -1.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7140 6.2490 -5.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0420 5.4240 -8.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6560 1.5580 1.4290 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.5680 1.1940 1.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2610 3.4170 -3.2580 N 0 3 0 0 0 0 0 0 0 0 0 0 -8.1380 2.5040 -3.7180 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0470 3.8730 -3.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 41 1 0 0 0 0 2 25 1 0 0 0 0 2 26 1 0 0 0 0 2 27 1 0 0 0 0 2 41 1 0 0 0 0 3 4 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 3 41 1 0 0 0 0 4 5 1 0 0 0 0 4 30 1 0 0 0 0 4 31 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 32 1 0 0 0 0 8 9 1 0 0 0 0 8 33 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 34 1 0 0 0 0 12 13 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 13 43 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 43 1 0 0 0 0 16 17 2 0 0 0 0 16 20 1 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 18 19 2 0 0 0 0 18 40 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 41 42 1 0 0 0 0 43 44 1 0 0 0 0 43 45 1 0 0 0 0 M CHG 1 41 1 M CHG 1 43 1 M END