PUBCHEM-ZINC06499828 MOE2007 3D CORINA 3.40 0006 02.08.2006 34 35 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 3 0 0 0 0 0 0 0 0 0 0.7420 -0.5120 1.2420 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6730 0.0420 1.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0960 -0.3180 2.4260 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4300 -0.4660 2.3590 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0850 -0.4000 3.3810 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0560 -0.6840 1.1910 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4120 -0.5270 0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9690 -0.8060 -1.0200 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5280 0.0420 3.7010 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6140 0.0240 3.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0400 1.4360 4.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2540 1.3530 5.7040 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.5800 1.8170 6.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3030 -0.1590 5.9970 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2790 -0.4270 6.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0870 -0.8460 4.7510 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7930 -0.5310 6.9980 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6670 -1.9090 7.3530 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4600 1.9630 6.0640 F 0 0 0 0 0 0 0 0 0 0 0 0 1.0390 -1.9380 1.0820 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1050 -2.2950 1.0980 N 0 3 0 0 0 0 0 0 0 0 0 0 3.1700 -2.6520 1.1130 N 0 5 0 0 0 0 0 0 0 0 0 0 0.9190 -0.6400 -1.6170 Br 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 -2.9860 -0.9590 1.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6490 2.2280 3.7380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0130 1.5810 3.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6930 0.0850 7.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7710 -0.3600 6.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3320 -2.2150 7.9860 H 0 0 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 9 1 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 22 1 0 0 0 0 5 6 1 0 0 0 0 5 11 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 29 1 0 0 0 0 9 10 2 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 18 1 0 0 0 0 13 14 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 21 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 19 20 1 0 0 0 0 19 32 1 0 0 0 0 19 33 1 0 0 0 0 20 34 1 0 0 0 0 22 23 2 0 0 0 0 23 24 2 0 0 0 0 M CHG 1 23 1 M CHG 1 24 -1 M END