PUBCHEM-ZINC03725557 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 49 0 0 1 0 0 0 0 0999 V2000 -0.0590 1.7670 -0.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2130 0.2610 -0.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6640 -0.3440 -1.0880 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6700 -1.7100 -1.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5310 -2.2440 -2.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6310 -3.6260 -2.2950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8680 -4.5090 -1.5130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0090 -3.9610 -0.5450 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0880 -2.5750 -0.3670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9830 -6.0160 -1.7430 C 0 0 3 0 0 0 0 0 0 0 0 0 1.8340 -6.1850 -2.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2820 -6.5690 -2.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4130 -6.8900 -1.6230 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5880 -7.3760 -2.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6670 -7.5450 -3.5790 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5730 -7.2270 -4.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3920 -6.7400 -3.8020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0200 -6.3380 -5.0130 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.6380 -8.2850 -0.7650 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0420 -9.0150 0.5240 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0750 -7.0170 1.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7010 -6.2190 0.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9770 2.0650 -0.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3030 2.1040 -1.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7130 2.2810 0.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0550 -0.0500 0.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2530 -0.0100 -0.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1260 -1.5750 -2.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3110 -3.9950 -3.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6070 -4.5950 0.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7710 -2.2050 0.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4100 -6.7650 -0.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4450 -7.6160 -1.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5820 -7.9200 -4.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6550 -7.3590 -5.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4120 -8.3690 -1.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6970 -8.6960 -1.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2080 -8.9940 1.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2290 -10.0700 0.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0110 -6.6230 1.8170 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -6.8660 2.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5030 -5.1800 0.4230 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4930 -6.2610 -0.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4340 -6.7960 -0.4830 N 0 3 0 0 0 0 0 0 0 0 0 0 0.6910 -6.7090 0.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2350 -8.4550 1.1670 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0580 -8.6200 0.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 26 1 0 0 0 0 2 27 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 28 1 0 0 0 0 6 7 1 0 0 0 0 6 29 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 30 1 0 0 0 0 9 31 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 44 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 32 1 0 0 0 0 14 15 1 0 0 0 0 14 33 1 0 0 0 0 15 16 2 0 0 0 0 15 34 1 0 0 0 0 16 17 1 0 0 0 0 16 35 1 0 0 0 0 17 18 1 0 0 0 0 19 20 1 0 0 0 0 19 36 1 0 0 0 0 19 37 1 0 0 0 0 19 44 1 0 0 0 0 20 38 1 0 0 0 0 20 39 1 0 0 0 0 20 46 1 0 0 0 0 21 22 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 21 46 1 0 0 0 0 22 42 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 44 45 1 0 0 0 0 46 47 1 0 0 0 0 M CHG 1 44 1 M END