PUBCHEM-ZINC05132631 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 37 0 0 0 0 0 0 0 0999 V2000 0.6410 1.3260 -0.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3900 -0.1590 -0.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4790 -0.8380 0.9630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2450 -2.2140 1.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0770 -2.8940 -0.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1620 -2.2030 -1.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0640 -0.8380 -1.3960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0370 -0.0890 -2.6990 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5680 -3.0590 -2.8520 S 0 0 0 0 0 0 0 0 0 0 0 0 0.4040 -2.6750 -3.8150 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8060 -4.4110 -2.4840 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0160 -2.4570 -3.3850 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1830 -2.6960 -2.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1390 -2.7400 -1.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2940 -2.9760 -0.5480 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4940 -3.1690 -1.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5420 -3.1260 -2.5880 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3920 -2.8850 -3.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4590 -2.8180 -5.2030 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.3390 -2.9480 2.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1360 -4.1450 2.3100 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7000 1.5100 -0.4610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0510 1.7710 -1.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3550 1.7710 0.6750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7280 -0.3060 1.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2580 -3.9580 -0.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9540 0.0020 -3.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6930 -0.6310 -3.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4450 0.9050 -2.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0540 -1.9390 -4.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2020 -2.5900 -0.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2600 -3.0110 0.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3960 -3.3540 -0.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4810 -3.2780 -3.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6510 -2.2890 3.4130 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 -2.8120 4.2250 H 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 20 1 0 0 0 0 5 6 2 0 0 0 0 5 26 1 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 10 2 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 12 13 1 0 0 0 0 12 30 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 31 1 0 0 0 0 15 16 1 0 0 0 0 15 32 1 0 0 0 0 16 17 2 0 0 0 0 16 33 1 0 0 0 0 17 18 1 0 0 0 0 17 34 1 0 0 0 0 18 19 1 0 0 0 0 20 21 2 0 0 0 0 20 35 1 0 0 0 0 35 36 1 0 0 0 0 M END