PUBCHEM-ZINC01073762 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 49 0 0 0 0 0 0 0 0999 V2000 0.1100 0.2370 0.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0100 0.5080 2.6350 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4980 1.4550 3.7170 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9940 1.6670 3.6800 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7310 1.3830 2.5090 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1300 1.5710 2.5210 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7250 2.0550 3.6820 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0330 2.3570 4.8000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6910 2.1790 4.7850 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0600 2.5500 6.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1780 1.9370 7.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4260 2.6000 8.2970 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7740 3.7110 7.8100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0750 3.9520 6.1440 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.0960 2.2290 3.6780 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6210 2.7320 4.9140 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1280 2.9040 4.8600 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8550 2.6010 3.6940 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2430 2.7600 3.6450 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9330 3.2250 4.7600 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2360 3.5330 5.9260 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8460 3.3750 5.9760 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9830 3.8230 7.6120 Br 0 0 0 0 0 0 0 0 0 0 0 0 -4.9380 1.2660 1.3770 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5360 0.9990 0.4200 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0440 0.8270 1.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0850 -0.8340 0.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1820 0.4450 0.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3180 0.6320 -0.7750 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1040 0.5420 2.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3140 -0.5250 2.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1950 1.0440 4.6870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0100 2.4300 3.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7800 1.0510 7.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3740 2.2850 9.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1440 4.4000 8.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3880 2.0190 5.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1730 3.7140 5.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3510 2.2350 2.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7850 2.5190 2.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0120 3.3490 4.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7860 3.8970 6.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2780 -0.2400 1.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3670 1.3640 0.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5380 0.9510 1.3040 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.3190 1.9500 1.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 45 1 0 0 0 0 2 3 1 0 0 0 0 2 30 1 0 0 0 0 2 31 1 0 0 0 0 2 45 1 0 0 0 0 3 4 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 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 24 1 0 0 0 0 7 8 2 0 0 0 0 7 15 1 0 0 0 0 8 9 1 0 0 0 0 9 10 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 34 1 0 0 0 0 12 13 2 0 0 0 0 12 35 1 0 0 0 0 13 14 1 0 0 0 0 13 36 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 39 1 0 0 0 0 19 20 1 0 0 0 0 19 40 1 0 0 0 0 20 21 2 0 0 0 0 20 41 1 0 0 0 0 21 22 1 0 0 0 0 21 42 1 0 0 0 0 22 23 1 0 0 0 0 24 25 3 0 0 0 0 26 43 1 0 0 0 0 26 44 1 0 0 0 0 26 45 1 0 0 0 0 45 46 1 0 0 0 0 M CHG 1 45 1 M END