PUBCHEM-ZINC02954731 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 48 0 0 0 0 0 0 0 0999 V2000 0.7400 3.1170 1.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1760 3.2220 -0.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0420 2.2630 -0.8450 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4730 1.1950 -0.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0310 1.0930 1.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1650 2.0540 1.7990 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4140 0.2120 -0.5940 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7550 0.2420 -0.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4690 -0.9130 -1.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8230 -1.6350 -1.8940 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8130 -1.0780 -0.8810 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6900 -2.0740 -1.3770 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0270 -1.9960 -0.9620 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9670 -2.9310 -1.3960 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5810 -3.9600 -2.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2520 -4.0690 -2.6860 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3140 -3.1130 -2.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8390 -5.1920 -3.6170 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6170 -5.2330 -3.9650 O 0 5 0 0 0 0 0 0 0 0 0 0 5.3230 1.2810 0.2990 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6270 1.5430 0.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5810 0.7920 0.4920 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8540 2.8400 1.3390 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8200 2.9020 2.3510 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0600 4.1060 3.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3420 5.2470 2.6600 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3920 5.1970 1.6400 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1490 3.9930 0.9730 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6670 6.8780 3.5590 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.0630 3.8630 1.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8390 4.0490 -0.9370 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3780 2.3520 -1.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3580 0.2670 1.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8200 1.9730 2.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9260 -0.5730 -1.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2510 -0.3950 -0.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3520 -1.2000 -0.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0000 -2.8580 -1.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3200 -4.6860 -2.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2880 -3.2120 -2.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6450 1.9590 0.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3850 2.0150 2.6320 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8080 4.1410 3.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8410 6.0890 1.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4290 3.9860 0.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7440 -6.0090 -3.9800 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 30 1 0 0 0 0 2 3 2 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 32 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 6 34 1 0 0 0 0 7 8 2 0 0 0 0 7 35 1 0 0 0 0 8 9 1 0 0 0 0 8 20 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 36 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 37 1 0 0 0 0 14 15 1 0 0 0 0 14 38 1 0 0 0 0 15 16 2 0 0 0 0 15 39 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 17 40 1 0 0 0 0 18 19 1 0 0 0 0 18 46 2 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 42 1 0 0 0 0 25 26 1 0 0 0 0 25 43 1 0 0 0 0 26 27 2 0 0 0 0 26 29 1 0 0 0 0 27 28 1 0 0 0 0 27 44 1 0 0 0 0 28 45 1 0 0 0 0 M CHG 1 19 -1 M END