PUBCHEM-ZINC01786917 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 47 0 0 0 0 0 0 0 0999 V2000 0.5190 1.1120 -0.4770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2910 -0.3700 -0.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2300 -0.9840 0.7460 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3400 -2.3030 0.6510 N 0 3 0 0 0 0 0 0 0 0 0 0 0.0630 -2.8490 -0.4550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6530 -1.5960 -1.5430 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0280 -4.2050 -0.7380 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3660 -4.6610 -2.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0920 -5.8360 -2.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4240 -6.2850 -3.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0340 -5.5650 -4.5450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3120 -4.3940 -4.3980 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0280 -3.9440 -3.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4910 -6.1820 -6.2730 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.8890 -3.1060 1.7460 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3930 -3.1240 1.6500 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0300 -4.2650 1.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6530 -0.2390 1.9570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1170 -0.5670 3.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5130 0.1290 4.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4430 1.1530 4.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9780 1.4820 2.9800 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5820 0.7940 1.8510 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8310 1.8360 5.3270 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7910 2.8780 5.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5170 1.3630 -0.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4310 1.3910 -1.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2250 1.6540 0.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2310 -4.8380 -0.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3960 -6.3980 -1.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9880 -7.1980 -3.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0100 -3.8340 -5.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5960 -3.0320 -3.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5080 -4.1250 1.6760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5910 -2.6730 2.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9450 -2.1960 1.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4780 -5.1930 1.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1080 -4.2780 1.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6060 -1.3640 3.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0980 -0.1250 5.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7020 2.2800 2.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9960 1.0540 0.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3880 3.6290 4.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7050 2.4600 4.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0120 3.3410 6.1070 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 2 0 0 0 0 2 6 1 0 0 0 0 3 4 1 0 0 0 0 3 18 1 0 0 0 0 4 5 2 0 0 0 0 4 15 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 29 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 30 1 0 0 0 0 10 11 1 0 0 0 0 10 31 1 0 0 0 0 11 12 2 0 0 0 0 11 14 1 0 0 0 0 12 13 1 0 0 0 0 12 32 1 0 0 0 0 13 33 1 0 0 0 0 15 16 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 16 17 2 0 0 0 0 16 36 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 39 1 0 0 0 0 20 21 1 0 0 0 0 20 40 1 0 0 0 0 21 22 2 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 22 41 1 0 0 0 0 23 42 1 0 0 0 0 24 25 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 25 45 1 0 0 0 0 M CHG 1 4 1 M END