PUBCHEM-ZINC01057755 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 37 0 0 1 0 0 0 0 0999 V2000 0.7920 0.7960 -1.6670 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2010 -0.2550 -1.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9030 -0.1520 -0.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7970 -1.1530 0.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9900 -2.2690 -0.4940 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2860 -2.3920 -1.6940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3920 -1.3870 -2.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5290 -3.8080 -2.7520 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.5210 -5.0500 -1.8350 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0910 -4.5690 -1.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3590 -5.8400 -2.8020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5500 -5.0520 -3.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9510 -4.0190 -2.7900 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2850 -5.5730 -4.5050 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2010 -4.7280 -5.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9160 -5.1740 -6.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7170 -6.4700 -6.7320 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8120 -7.3210 -6.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0960 -6.8740 -4.9840 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6850 -7.0780 -8.2380 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.5720 -5.9620 -1.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9580 -5.5870 -0.0210 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7830 0.5380 -1.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8490 0.8900 -2.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5030 1.7760 -1.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7540 0.7060 0.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3380 -1.0700 1.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6800 -3.0490 -0.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1710 -1.4910 -3.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7640 -6.7190 -2.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2360 -6.1940 -3.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3630 -3.7150 -4.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6210 -4.5050 -6.7450 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6550 -8.3340 -6.4610 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4070 -7.5650 -4.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9040 -7.0000 -1.8110 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 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 26 1 0 0 0 0 4 5 1 0 0 0 0 4 27 1 0 0 0 0 5 6 2 0 0 0 0 5 28 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 29 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 21 1 0 0 0 0 11 12 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 32 1 0 0 0 0 16 17 1 0 0 0 0 16 33 1 0 0 0 0 17 18 2 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 18 34 1 0 0 0 0 19 35 1 0 0 0 0 21 22 2 0 0 0 0 21 36 1 0 0 0 0 M CHG 1 36 -1 M END