PUBCHEM-ZINC06013719 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 55 0 0 0 0 0 0 0 0999 V2000 -0.9930 1.4600 0.5040 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0000 -0.0420 0.6220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0160 -0.6520 1.2070 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0620 -2.0400 1.3920 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0050 -2.9360 0.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1620 -2.5650 2.6690 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2050 -3.8800 2.8230 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3000 -4.4230 4.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -3.5860 5.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3080 -2.2060 4.9460 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2070 -1.7390 3.7030 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3640 -1.2730 6.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3150 0.1040 5.8850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3680 0.9670 6.9600 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4670 0.4690 8.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5150 -0.8980 8.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4700 -1.7700 7.3960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5370 1.6580 9.7160 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.3480 -5.8960 4.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2930 -6.7260 3.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3380 -8.0960 3.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4370 -8.6460 4.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4920 -7.8280 5.6160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4420 -6.4570 5.4710 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1260 -0.8190 0.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9680 -1.5360 0.9250 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0190 -2.2600 0.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2440 -2.2800 -0.9620 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4180 -1.5750 -1.8170 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3610 -0.8370 -1.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5520 -0.1390 -2.1480 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5010 1.7500 -0.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0180 1.8300 0.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4540 1.8880 1.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0360 -3.1180 -0.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4880 -3.8810 0.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5210 -2.4750 -0.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4340 -3.9950 6.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2370 0.4940 4.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3300 2.0340 6.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5920 -1.2820 9.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5120 -2.8360 7.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2160 -6.2970 2.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2950 -8.7400 2.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4720 -9.7190 4.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5710 -8.2630 6.6010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4810 -5.8190 6.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7950 -1.5230 1.9910 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6700 -2.8150 1.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0700 -2.8510 -1.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6000 -1.5960 -2.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8360 -0.6640 -2.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 2 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 5 35 1 0 0 0 0 5 36 1 0 0 0 0 5 37 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 8 19 1 0 0 0 0 9 10 2 0 0 0 0 9 38 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 39 1 0 0 0 0 14 15 1 0 0 0 0 14 40 1 0 0 0 0 15 16 2 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 16 41 1 0 0 0 0 17 42 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 43 1 0 0 0 0 21 22 1 0 0 0 0 21 44 1 0 0 0 0 22 23 2 0 0 0 0 22 45 1 0 0 0 0 23 24 1 0 0 0 0 23 46 1 0 0 0 0 24 47 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 48 1 0 0 0 0 27 28 1 0 0 0 0 27 49 1 0 0 0 0 28 29 2 0 0 0 0 28 50 1 0 0 0 0 29 30 1 0 0 0 0 29 51 1 0 0 0 0 30 31 1 0 0 0 0 31 52 1 0 0 0 0 M END