PUBCHEM-ZINC03741321 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 51 0 0 0 0 0 0 0 0999 V2000 0.2190 1.2450 -0.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0220 -0.1580 -0.3600 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2490 -0.6250 -0.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3860 0.1510 0.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6370 -0.4570 0.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7670 -1.8500 0.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6200 -2.6360 -0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3720 -2.0150 -0.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6820 -4.0970 -0.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1060 -4.9480 -1.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9270 -6.2900 -0.6380 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1570 -7.5650 -1.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8640 -8.7020 -0.4370 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3520 -8.5990 0.8540 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1150 -7.3450 1.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4100 -6.2130 0.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2770 -4.8790 0.9560 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9290 -4.5210 1.8330 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1710 -10.4150 -1.1830 Br 0 0 0 0 0 0 0 0 0 0 0 0 -3.6380 -4.5400 -2.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5120 -4.2440 -3.4440 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0640 -3.7850 -4.7930 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9330 -3.4520 -5.7540 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9520 -2.5240 0.3230 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1200 -1.7580 0.5840 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2860 1.4460 -0.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3250 1.7920 -1.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0620 1.5930 0.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3390 1.2350 0.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4910 0.1920 0.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4830 -2.6190 -0.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5580 -7.6560 -2.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1300 -9.4920 1.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7170 -7.2600 2.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2840 -5.3310 -2.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2770 -3.6560 -2.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8510 -3.4670 -3.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8950 -5.1400 -3.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6970 -4.5740 -5.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7010 -2.9030 -4.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3150 -2.6260 -5.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3020 -4.3210 -5.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0250 -1.1990 1.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3510 -1.0920 -0.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9580 -2.4530 0.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5090 -3.0180 -7.0480 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.7670 -2.7870 -7.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1000 -2.1830 -6.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0830 -3.7580 -7.4750 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 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 29 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 6 7 2 0 0 0 0 6 24 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 31 1 0 0 0 0 9 10 2 0 0 0 0 9 17 1 0 0 0 0 10 11 1 0 0 0 0 10 20 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 32 1 0 0 0 0 13 14 1 0 0 0 0 13 19 1 0 0 0 0 14 15 2 0 0 0 0 14 33 1 0 0 0 0 15 16 1 0 0 0 0 15 34 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 20 21 1 0 0 0 0 20 35 1 0 0 0 0 20 36 1 0 0 0 0 21 22 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 22 23 1 0 0 0 0 22 39 1 0 0 0 0 22 40 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 23 46 1 0 0 0 0 24 25 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 25 45 1 0 0 0 0 46 47 1 0 0 0 0 46 48 1 0 0 0 0 46 49 1 0 0 0 0 M CHG 1 46 1 M END