PUBCHEM-ZINC04651887 MOE2007 3D CORINA 3.40 0006 02.08.2006 35 37 0 0 0 0 0 0 0 0999 V2000 0.1420 1.5530 0.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0570 0.0570 0.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0080 -0.6880 1.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0340 -2.0900 1.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0190 -2.7740 -0.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0310 -2.0340 -1.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0840 -0.6200 -1.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0500 -2.7650 -2.4600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -4.1700 -2.4070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0100 -4.8180 -1.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0410 -4.1210 -0.0230 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0160 -6.2910 -1.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5600 -6.8990 0.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5720 -8.2870 0.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0010 -9.1070 -0.7090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5800 -8.5290 -1.8340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5920 -7.1400 -2.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3680 -9.6400 -3.1480 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.0940 -2.1260 -3.8300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5690 -1.0580 -4.0140 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.0850 -2.8650 2.4780 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1900 1.8690 0.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3670 1.9980 -0.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3410 1.9490 1.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0060 -0.1790 2.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1460 -0.0260 -2.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0890 -4.7310 -3.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0130 -6.2790 0.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0280 -8.7220 1.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0130 -10.1850 -0.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0700 -6.7210 -2.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9820 -3.4910 2.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8050 -3.4960 2.5770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1170 -2.1990 3.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7790 -2.7360 -4.7110 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 25 1 0 0 0 0 4 5 1 0 0 0 0 4 21 1 0 0 0 0 5 6 1 0 0 0 0 5 11 2 0 0 0 0 6 7 1 0 0 0 0 6 8 2 0 0 0 0 7 26 1 0 0 0 0 8 9 1 0 0 0 0 8 19 1 0 0 0 0 9 10 2 0 0 0 0 9 27 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 28 1 0 0 0 0 14 15 1 0 0 0 0 14 29 1 0 0 0 0 15 16 2 0 0 0 0 15 30 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 17 31 1 0 0 0 0 19 20 1 0 0 0 0 19 35 2 0 0 0 0 21 32 1 0 0 0 0 21 33 1 0 0 0 0 21 34 1 0 0 0 0 M CHG 1 20 -1 M END