PUBCHEM-ZINC02867596 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 53 0 0 0 0 0 0 0 0999 V2000 0.0500 0.8340 0.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5420 1.6220 2.4830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0980 2.0300 3.8000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0230 3.2310 3.6100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0850 2.9310 2.5490 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4420 2.5250 1.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6440 3.6090 4.8690 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1070 4.8950 5.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0230 5.8070 4.2700 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7390 5.1200 6.3970 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7840 4.2670 6.7630 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4010 4.4690 7.9860 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0160 5.4700 8.8140 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0150 6.2920 8.4590 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3230 6.1710 7.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2740 7.0820 6.9560 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9280 8.0870 7.8570 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6190 8.1970 9.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6500 7.3020 9.3410 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5220 3.6400 8.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5780 4.2220 9.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6550 3.4600 9.6530 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6980 2.0910 9.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6580 1.4940 8.6980 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5800 2.2540 8.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7010 -0.3680 8.3640 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.6370 -0.0610 0.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6780 1.6200 -0.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7770 0.5820 -0.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1840 2.4120 2.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 0.7040 2.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6590 1.1840 4.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6860 2.2720 4.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4220 4.0860 3.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7520 2.1330 2.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7190 3.8110 2.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2040 2.2200 0.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8350 3.3320 0.8090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7370 2.9160 5.6040 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1280 3.4910 6.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7170 7.0190 6.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1250 8.7810 7.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3610 8.9770 9.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1850 7.3950 10.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5680 5.2920 9.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4580 3.9400 10.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5370 1.5050 9.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7740 1.7540 7.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5340 1.3380 1.4620 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.1160 0.5720 1.8300 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 49 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 49 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 7 1 0 0 0 0 4 34 1 0 0 0 0 5 6 1 0 0 0 0 5 35 1 0 0 0 0 5 36 1 0 0 0 0 6 37 1 0 0 0 0 6 38 1 0 0 0 0 6 49 1 0 0 0 0 7 8 1 0 0 0 0 7 39 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 11 40 1 0 0 0 0 12 13 2 0 0 0 0 12 20 1 0 0 0 0 13 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 16 17 1 0 0 0 0 16 41 1 0 0 0 0 17 18 2 0 0 0 0 17 42 1 0 0 0 0 18 19 1 0 0 0 0 18 43 1 0 0 0 0 19 44 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 45 1 0 0 0 0 22 23 1 0 0 0 0 22 46 1 0 0 0 0 23 24 2 0 0 0 0 23 47 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 25 48 1 0 0 0 0 49 50 1 0 0 0 0 M CHG 1 49 1 M END