PUBCHEM-ZINC03739826 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 50 0 0 0 0 0 0 0 0999 V2000 -0.0890 1.5680 -0.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0710 0.0670 -0.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1150 -0.6030 1.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1000 -1.9930 1.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0380 -2.7720 0.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0090 -2.1420 -1.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0110 -0.7470 -1.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0400 -0.4050 -2.5580 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0480 0.5430 -2.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0780 -1.5200 -3.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0730 -2.6280 -2.5230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1070 -4.0630 -2.9470 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2870 -4.5840 -3.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2400 -6.0400 -3.7650 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6250 -6.5230 -4.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1030 -1.4210 -4.8180 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0910 -1.1010 -5.4830 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1140 -1.0100 -6.8720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0450 -1.2270 -7.6120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2390 -1.5440 -6.9570 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2810 -1.6460 -5.5610 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4070 -1.9570 -4.8410 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6240 -2.1240 -5.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7310 -0.5980 -7.7600 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.7840 1.9610 0.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0670 1.9610 -1.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9980 1.9400 0.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1620 -0.0230 2.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1360 -2.4770 2.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0250 -3.8550 0.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7790 -4.1780 -3.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5350 -4.6770 -2.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9520 -4.4930 -2.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7230 -3.9660 -4.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5530 -6.1360 -4.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8420 -6.6680 -2.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3300 -6.4900 -3.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0280 -5.9560 -5.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0010 -0.9340 -4.9110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0350 -1.1510 -8.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1220 -1.7040 -7.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4130 -2.3350 -4.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5660 -2.9770 -6.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9000 -1.2070 -6.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5390 -7.9370 -4.6010 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.4600 -8.2840 -4.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2150 -8.5500 -3.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8950 -8.0550 -5.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 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 28 1 0 0 0 0 4 5 1 0 0 0 0 4 29 1 0 0 0 0 5 6 2 0 0 0 0 5 30 1 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 10 16 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 14 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 15 45 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 39 1 0 0 0 0 18 19 1 0 0 0 0 18 24 1 0 0 0 0 19 20 2 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 42 1 0 0 0 0 23 43 1 0 0 0 0 23 44 1 0 0 0 0 45 46 1 0 0 0 0 45 47 1 0 0 0 0 45 48 1 0 0 0 0 M CHG 1 45 1 M END