PUBCHEM-ZINC04534174 MOE2007 3D CORINA 3.40 0006 02.08.2006 32 33 0 0 1 0 0 0 0 0999 V2000 -0.0820 1.6750 -0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2460 0.3750 0.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0120 -0.3870 0.4210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1980 0.1440 0.3170 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3320 1.4840 0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4500 1.9730 -0.1390 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1690 2.2630 -0.0720 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3180 3.7090 -0.3050 C 0 0 3 0 0 0 0 0 0 0 0 0 1.8730 3.8260 -1.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0070 4.4790 0.8210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8570 4.9120 1.6990 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0830 5.8160 2.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2660 5.1510 0.6900 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2170 6.1770 0.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0280 4.3130 -0.4570 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6580 4.8430 1.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6400 5.0970 0.2480 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5200 6.4720 0.4170 P 0 0 0 0 0 0 0 0 0 0 0 0 -2.4670 7.5670 0.5500 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5760 3.8810 2.6450 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3970 3.0560 2.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9830 -1.7190 0.7240 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8960 -0.4650 0.3220 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.9480 2.3090 -0.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7680 3.9050 1.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4810 5.3720 0.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7550 3.7850 1.4990 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8530 5.4250 2.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1230 -2.2430 0.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8640 -2.2000 0.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3430 6.5330 -0.8620 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.3380 6.2340 1.6810 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 7 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 23 1 0 0 0 0 3 4 2 0 0 0 0 3 22 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 15 1 0 0 0 0 10 11 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 20 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 16 17 1 0 0 0 0 16 27 1 0 0 0 0 16 28 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 31 1 0 0 0 0 18 32 1 0 0 0 0 20 21 1 0 0 0 0 22 29 1 0 0 0 0 22 30 1 0 0 0 0 M CHG 1 31 -1 M CHG 1 32 -1 M END