PUBCHEM-ZINC05592421 MOE2007 3D CORINA 3.40 0006 02.08.2006 43 44 0 0 0 0 0 0 0 0999 V2000 -0.0820 1.4900 0.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0760 -0.0280 0.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4650 -0.6100 -0.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4540 -2.1350 0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8380 -2.7260 -0.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7290 -4.1530 -0.1120 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9720 -4.7360 -0.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6630 -4.9680 -1.2950 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9170 -5.5900 -1.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4810 -6.0110 -0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7570 -5.7880 1.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5100 -5.1650 1.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5850 -4.9230 2.7610 Br 0 0 0 0 0 0 0 0 0 0 0 0 -7.7980 -6.6690 0.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4590 -6.8120 1.2010 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.6620 -7.4790 0.9960 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8820 -7.8370 -0.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5840 -7.3480 -1.3030 S 0 0 0 0 0 0 0 0 0 0 0 0 -11.0510 -8.5410 -0.8280 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9710 -8.8400 -0.0020 O 0 5 0 0 0 0 0 0 0 0 0 0 -10.5250 -7.7110 2.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0370 -4.5580 -2.4450 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6690 -4.8640 -3.6820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9220 1.8850 0.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3980 1.8220 -0.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7610 1.9250 0.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6370 -0.4290 -0.5290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2760 -0.3270 1.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1750 -0.2030 0.6750 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8140 -0.3050 -1.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7420 -2.5540 -0.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1020 -2.4520 1.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5490 -2.3360 0.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1780 -2.4460 -1.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4720 -5.7490 -2.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1750 -6.1110 2.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4920 -7.2120 2.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6870 -8.7810 2.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0550 -7.3100 3.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0150 -4.5120 -4.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7960 -5.9440 -3.8070 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6240 -4.3360 -3.7770 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0840 -8.8150 -2.0700 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 27 1 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 5 34 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 22 1 0 0 0 0 9 10 1 0 0 0 0 9 35 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 11 36 1 0 0 0 0 12 13 1 0 0 0 0 14 15 2 0 0 0 0 14 18 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 21 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 43 2 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 22 23 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 M CHG 1 20 -1 M END