PUBCHEM-ZINC04164036 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 54 0 0 0 0 0 0 0 0999 V2000 0.1830 1.7600 -1.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1470 0.3820 -1.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3180 -0.3620 -1.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5320 0.2380 -0.7930 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5810 1.6370 -0.6370 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3880 2.3860 -0.7980 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8410 2.1840 -0.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9630 1.3670 -0.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8130 -0.0010 -0.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6140 -0.5480 -0.6480 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9400 -0.9450 -0.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0150 -2.0800 -1.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0850 -2.9750 -0.9540 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1010 -2.7600 -0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0390 -1.6510 0.8100 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9720 -0.7520 0.7240 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4090 -1.3620 2.0820 Br 0 0 0 0 0 0 0 0 0 0 0 0 4.0350 3.6390 -0.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6560 4.4250 -1.0130 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6840 4.0310 1.0060 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9380 5.4360 1.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0370 6.0190 0.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7870 8.0470 -0.9130 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5560 9.5480 -1.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7850 10.2450 0.1420 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8890 9.8060 1.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0810 8.3180 1.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7220 2.3490 -1.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7860 -0.1180 -1.5140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2790 -1.4430 -1.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3870 3.4680 -0.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9390 1.7970 0.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2320 -2.2720 -1.7740 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1190 -3.8390 -1.6110 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9290 -3.4610 0.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9440 0.0930 1.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9630 3.3410 1.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9920 5.9700 1.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2200 5.5280 2.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0350 5.8360 0.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9960 5.5870 -0.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5510 7.5030 -1.8330 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8140 7.8350 -0.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2550 9.9460 -1.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5400 9.7580 -1.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1020 10.3910 2.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8570 10.0220 0.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1010 8.1070 1.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3540 7.9720 2.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8710 7.5190 0.1860 N 0 3 0 0 0 0 0 0 0 0 0 0 4.9030 7.6670 -0.1390 H 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 28 1 0 0 0 0 2 3 2 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 4 10 2 0 0 0 0 5 6 1 0 0 0 0 5 7 2 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 7 18 1 0 0 0 0 8 9 2 0 0 0 0 8 32 1 0 0 0 0 9 10 1 0 0 0 0 9 11 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 33 1 0 0 0 0 13 14 1 0 0 0 0 13 34 1 0 0 0 0 14 15 2 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 16 36 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 37 1 0 0 0 0 21 22 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 22 40 1 0 0 0 0 22 41 1 0 0 0 0 22 50 1 0 0 0 0 23 24 1 0 0 0 0 23 42 1 0 0 0 0 23 43 1 0 0 0 0 23 50 1 0 0 0 0 24 25 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 26 46 1 0 0 0 0 26 47 1 0 0 0 0 27 48 1 0 0 0 0 27 49 1 0 0 0 0 27 50 1 0 0 0 0 50 51 1 0 0 0 0 M CHG 1 50 1 M END