PUBCHEM-ZINC04147878 MOE2007 3D CORINA 3.40 0006 02.08.2006 28 29 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3780 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2080 -0.6790 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3960 0.0290 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3770 1.4110 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1710 2.0860 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8910 2.3120 -0.0240 S 0 0 0 0 0 0 0 0 0 0 0 0 3.6010 3.5890 0.5290 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8800 1.4420 0.5080 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4920 3.3690 -2.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8400 3.5820 -3.7420 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0260 4.3730 -4.5320 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8860 4.9270 -3.9630 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6010 4.6740 -2.6360 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3970 3.9150 -1.9060 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7370 6.0180 -4.9950 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.2280 -2.1590 -0.0200 N 0 3 0 0 0 0 0 0 0 0 0 0 0.1820 -2.7820 -0.0130 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2910 -2.7530 -0.0340 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.9590 1.9060 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5570 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3380 -0.4980 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1560 3.1660 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7340 3.1350 -4.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2710 4.5560 -5.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7160 5.1030 -2.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2980 2.5710 -1.6080 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0990 2.1650 -1.9750 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 20 1 0 0 0 0 2 3 2 0 0 0 0 2 21 1 0 0 0 0 3 4 1 0 0 0 0 3 17 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 7 1 0 0 0 0 6 23 1 0 0 0 0 7 8 2 0 0 0 0 7 9 2 0 0 0 0 7 27 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 10 27 1 0 0 0 0 11 12 2 0 0 0 0 11 24 1 0 0 0 0 12 13 1 0 0 0 0 12 25 1 0 0 0 0 13 14 2 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 14 26 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 27 28 1 0 0 0 0 M CHG 1 17 1 M CHG 1 19 -1 M END