PUBCHEM-ZINC01097182 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 49 0 0 0 0 0 0 0 0999 V2000 0.4350 1.1510 0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4300 -0.3370 -0.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4640 -1.2360 0.9740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3290 -2.5450 0.4540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2810 -2.4210 -0.9320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2750 -1.0600 -1.2550 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1240 -0.5110 -2.5650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9470 0.5400 -2.9950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7880 1.0750 -4.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1940 0.5550 -5.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0240 -0.4860 -4.7040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8630 -1.0210 -3.4230 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4120 1.2690 -6.7720 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.8260 1.0220 -7.0430 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0700 2.6720 -6.5550 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5900 0.4770 -7.7200 N 0 5 0 0 0 0 0 0 0 0 0 0 0.2660 -0.4700 -7.7370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3080 -3.5130 -1.9580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2820 -3.7590 1.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0330 -4.8970 0.6920 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0040 -5.9700 1.5280 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2470 -7.2270 1.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4330 -7.5170 -0.1740 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2940 -8.2910 2.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3820 -8.3040 2.8990 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4730 -9.3000 3.8710 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4850 -10.2800 3.9600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5990 -10.2670 3.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6980 -9.2720 2.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2170 -9.2930 0.9650 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.4280 1.5520 -0.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3010 1.6060 -0.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1770 1.4650 1.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5430 -0.9630 2.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7460 0.9290 -2.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4310 1.8830 -4.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7950 -0.8760 -5.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5390 -1.8080 -3.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6990 -3.9070 -2.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7220 -3.1790 -2.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9520 -4.3360 -1.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4470 -3.6510 2.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1500 -5.8360 2.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1670 -7.5550 2.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3190 -9.3170 4.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5580 -11.0570 4.7170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3610 -11.0380 3.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 2 0 0 0 0 2 6 1 0 0 0 0 3 4 1 0 0 0 0 3 34 1 0 0 0 0 4 5 2 0 0 0 0 4 19 1 0 0 0 0 5 6 1 0 0 0 0 5 18 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 35 1 0 0 0 0 9 10 1 0 0 0 0 9 36 1 0 0 0 0 10 11 2 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 11 37 1 0 0 0 0 12 38 1 0 0 0 0 13 14 2 0 0 0 0 13 15 2 0 0 0 0 13 16 1 0 0 0 0 16 17 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 19 20 2 0 0 0 0 19 42 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 43 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 25 44 1 0 0 0 0 26 27 1 0 0 0 0 26 45 1 0 0 0 0 27 28 2 0 0 0 0 27 46 1 0 0 0 0 28 29 1 0 0 0 0 28 47 1 0 0 0 0 29 30 1 0 0 0 0 M CHG 1 16 -1 M END