PUBCHEM-ZINC06928615 MOE2007 3D CORINA 3.40 0006 02.08.2006 22 22 0 0 0 0 0 0 0 0999 V2000 -0.0220 1.8060 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.7290 -0.3340 0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5750 0.6480 0.0300 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2020 0.3380 0.0440 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.5060 -0.2650 -1.2060 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4820 -0.2790 1.2930 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0290 1.8940 0.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3650 2.5100 -1.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0140 3.7310 -1.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3270 4.3350 0.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9920 3.7180 1.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3470 2.4950 1.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3510 -2.1190 0.0130 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 2.1830 0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5500 2.1670 -0.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5330 2.1570 0.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1200 2.0390 -2.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2750 4.2130 -2.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8330 5.2890 0.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2360 4.1890 2.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0880 2.0110 2.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 15 1 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 14 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 7 2 0 0 0 0 5 8 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 18 1 0 0 0 0 10 11 1 0 0 0 0 10 19 1 0 0 0 0 11 12 2 0 0 0 0 11 20 1 0 0 0 0 12 13 1 0 0 0 0 12 21 1 0 0 0 0 13 22 1 0 0 0 0 M END