PUBCHEM-ZINC01070065 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 49 0 0 1 0 0 0 0 0999 V2000 0.0320 1.3120 -0.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7330 0.3180 0.5690 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0520 -0.7910 1.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7400 -1.7190 1.8170 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1070 -1.5070 2.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7310 -2.3070 2.7660 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7150 -0.4080 1.6000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0400 0.4800 0.8500 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6220 1.4560 0.4190 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1350 -0.1820 1.8830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1750 -2.7010 2.1470 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3490 -2.3500 1.5850 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2070 -1.2210 0.9360 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9560 -3.3380 1.7130 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.0820 -3.8970 2.9540 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4640 -4.6920 2.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1000 -3.5750 4.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2200 -4.3720 4.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1540 -4.0770 5.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9680 -2.9860 5.9690 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8480 -2.1880 5.8200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9170 -2.4810 4.8420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1990 -4.3480 3.6050 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9050 -3.5450 4.1770 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5950 -5.7650 3.5470 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7830 -6.1880 4.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1470 -7.5170 4.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3380 -8.4310 3.4390 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1600 -8.0200 2.8400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7860 -6.6940 2.8840 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3940 2.0780 0.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7340 1.7720 -0.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7670 0.8250 -0.8070 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7390 -0.6450 1.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3340 0.8900 1.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3880 -0.6210 2.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 -5.2250 3.5190 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0290 -4.7000 5.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6970 -2.7560 6.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7030 -1.3360 6.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0440 -1.8560 4.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4150 -5.4760 4.6610 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0640 -7.8460 4.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6280 -9.4710 3.3970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5350 -8.7390 2.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1310 -6.3740 2.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 8 1 0 0 0 0 3 4 2 0 0 0 0 3 13 1 0 0 0 0 4 5 1 0 0 0 0 4 11 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 8 9 2 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 23 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 37 1 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 20 21 2 0 0 0 0 20 39 1 0 0 0 0 21 22 1 0 0 0 0 21 40 1 0 0 0 0 22 41 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 25 30 2 0 0 0 0 26 27 2 0 0 0 0 26 42 1 0 0 0 0 27 28 1 0 0 0 0 27 43 1 0 0 0 0 28 29 2 0 0 0 0 28 44 1 0 0 0 0 29 30 1 0 0 0 0 29 45 1 0 0 0 0 30 46 1 0 0 0 0 M END