PUBCHEM-ZINC02895356 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 52 0 0 0 0 0 0 0 0999 V2000 -0.1720 0.1160 0.7940 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1090 0.5040 0.3150 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6230 -0.2160 -0.7290 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8640 0.2320 -1.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4970 -0.4050 -2.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8910 -1.5030 -2.8810 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6560 -1.9600 -2.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0240 -1.3190 -1.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5170 -2.1450 -4.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4720 -1.6740 -5.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2120 -2.5700 -6.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5670 -3.6890 -5.9350 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4580 -2.0670 -7.5710 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2040 -2.6770 -8.6150 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8200 -3.9270 -8.5070 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5460 -4.4620 -9.5740 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6700 -3.7500 -10.7650 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0720 -2.4910 -10.9100 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3370 -1.9690 -9.8230 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2220 -1.7190 -12.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6970 -0.5630 -12.2550 O 0 5 0 0 0 0 0 0 0 0 0 0 2.7730 -0.5030 -5.5630 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5910 0.2180 -6.7190 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1190 -0.0160 -7.7990 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7470 1.4300 -6.5810 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2840 2.6230 -7.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5800 3.8210 -6.9670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3310 3.8370 -6.3490 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2180 2.6520 -5.8590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4830 1.4450 -5.9770 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3900 -0.1160 -5.3350 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.9320 0.2090 0.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1490 -0.8990 1.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4460 0.7960 1.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3390 1.0870 -0.7180 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4590 -0.0350 -2.6110 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1700 -2.8130 -2.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0640 -1.7060 -1.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0370 -3.0670 -3.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0520 -1.1500 -7.7950 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7570 -4.5210 -7.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0170 -5.4370 -9.4770 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2410 -4.1760 -11.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8700 -0.9910 -9.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -0.1100 -4.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2590 2.6260 -7.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0060 4.7440 -7.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2180 4.7720 -6.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2010 2.6800 -5.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8660 -2.2830 -13.1480 O 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 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 35 1 0 0 0 0 5 6 1 0 0 0 0 5 36 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 37 1 0 0 0 0 8 38 1 0 0 0 0 9 10 2 0 0 0 0 9 39 1 0 0 0 0 10 11 1 0 0 0 0 10 22 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 40 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 15 41 1 0 0 0 0 16 17 1 0 0 0 0 16 42 1 0 0 0 0 17 18 2 0 0 0 0 17 43 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 19 44 1 0 0 0 0 20 21 1 0 0 0 0 20 50 2 0 0 0 0 22 23 1 0 0 0 0 22 45 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 46 1 0 0 0 0 27 28 1 0 0 0 0 27 47 1 0 0 0 0 28 29 2 0 0 0 0 28 48 1 0 0 0 0 29 30 1 0 0 0 0 29 49 1 0 0 0 0 30 31 1 0 0 0 0 M CHG 1 21 -1 M END