PUBCHEM-ZINC06505389 MOE2007 3D CORINA 3.40 0006 02.08.2006 31 32 0 0 0 0 0 0 0 0999 V2000 -0.0210 1.5790 1.4880 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0110 0.2200 1.7190 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1840 -0.4820 1.6970 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3770 0.1790 1.4420 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3790 1.5380 1.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1770 2.2500 1.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1730 3.7030 0.9820 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2880 4.3240 0.7430 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2840 5.7050 0.5070 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4820 6.3720 0.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6910 5.6930 0.3390 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8740 6.3560 0.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8580 7.6960 -0.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6570 8.3750 -0.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4690 7.7170 -0.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1830 8.4440 -0.2040 N 0 3 0 0 0 0 0 0 0 0 0 0 1.2000 7.8810 -0.6510 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1090 9.6040 0.1580 O 0 5 0 0 0 0 0 0 0 0 0 0 7.1290 8.4040 -0.5340 N 0 3 0 0 0 0 0 0 0 0 0 0 8.1880 7.8060 -0.4560 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1160 9.5830 -0.8380 O 0 5 0 0 0 0 0 0 0 0 0 0 4.0020 -0.7870 1.4140 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.1870 -1.8130 1.9240 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.9540 2.1240 1.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9370 -0.3000 1.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3090 2.0520 1.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2420 4.2520 0.9990 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4480 6.1980 0.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7050 4.6470 0.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8140 5.8290 0.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6480 9.4210 -0.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 24 1 0 0 0 0 2 3 2 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 3 23 1 0 0 0 0 4 5 2 0 0 0 0 4 22 1 0 0 0 0 5 6 1 0 0 0 0 5 26 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 27 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 28 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 29 1 0 0 0 0 12 13 1 0 0 0 0 12 30 1 0 0 0 0 13 14 2 0 0 0 0 13 19 1 0 0 0 0 14 15 1 0 0 0 0 14 31 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 M CHG 1 16 1 M CHG 1 18 -1 M CHG 1 19 1 M CHG 1 21 -1 M END