PUBCHEM-ZINC04877265 MOE2007 3D CORINA 3.40 0006 02.08.2006 43 44 0 0 1 0 0 0 0 0999 V2000 -0.3310 1.8550 0.5280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2200 0.3600 0.3760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8680 -0.1620 0.3130 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3300 -0.3920 0.3110 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1470 -1.8260 0.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5140 -2.5110 0.1080 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.1220 -2.0610 -0.6780 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3350 -4.0170 -0.1650 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.2760 -4.2730 -0.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0080 -4.7050 1.0470 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.2680 -4.9790 1.7990 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9460 -3.5890 1.5740 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.1620 -3.7380 2.6320 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1790 -2.3800 1.3760 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1870 -3.5480 0.7970 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.4340 -2.7680 -0.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6440 -3.0080 -0.7010 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.2090 -3.9410 0.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3110 -4.2960 1.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5580 -5.5780 2.3890 Br 0 0 0 0 0 0 0 0 0 0 0 0 -8.5760 -4.4890 -0.0670 N 0 3 0 0 0 0 0 0 0 0 0 0 -9.2970 -4.0920 -0.9640 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.9800 -5.3370 0.7090 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.7700 -5.8670 0.6250 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8810 -6.8750 1.5040 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3590 -6.7890 2.5910 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6580 -8.1130 1.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9990 -4.3920 -1.4000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2670 -4.3480 -2.5240 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1090 -4.0070 -2.4780 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8890 -4.7240 -3.8440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6670 2.2920 0.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8790 2.2670 -0.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8620 2.0880 1.4510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6000 -2.0300 -0.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5830 -2.2090 1.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7430 -2.0610 -0.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2070 -8.5770 0.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6370 -8.8150 1.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6900 -7.8420 0.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9320 -5.0010 -3.6890 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8370 -3.8740 -4.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3490 -5.5680 -4.2740 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 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 35 1 0 0 0 0 5 36 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 14 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 28 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 24 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 15 16 1 0 0 0 0 15 19 1 0 0 0 0 16 17 2 0 0 0 0 16 37 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 38 1 0 0 0 0 27 39 1 0 0 0 0 27 40 1 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 31 41 1 0 0 0 0 31 42 1 0 0 0 0 31 43 1 0 0 0 0 M CHG 1 21 1 M CHG 1 23 -1 M END