PUBCHEM-ZINC04877268 MOE2007 3D CORINA 3.40 0006 02.08.2006 43 44 0 0 1 0 0 0 0 0999 V2000 -0.0180 1.5030 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0560 -0.5940 -0.0110 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1510 -0.6910 0.0090 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0560 -2.1400 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4610 -2.7440 0.0110 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.0370 -2.3500 0.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3840 -4.2850 0.0890 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.4290 -4.6390 -0.2980 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5450 -4.7650 -0.8110 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.2650 -5.3400 -0.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1860 -3.4570 -1.3260 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.0270 -3.1730 -0.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1360 -2.4680 -1.2360 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6230 -3.6170 -2.7150 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9240 -3.2750 -3.8200 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6370 -3.5660 -4.8730 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.8050 -4.0990 -4.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8130 -4.1450 -3.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2040 -4.8070 -2.0400 Br 0 0 0 0 0 0 0 0 0 0 0 0 -6.8910 -4.5620 -5.3770 N 0 3 0 0 0 0 0 0 0 0 0 0 -6.7640 -4.4740 -6.5850 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.9110 -5.0300 -4.9030 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.0370 -5.5560 -1.9170 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8410 -6.5160 -2.3990 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9340 -6.6900 -1.9130 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3820 -7.3780 -3.5470 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5760 -4.7350 1.4560 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4750 -4.8840 2.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3870 -4.6460 1.7410 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5960 -5.3480 3.6380 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5270 -2.4640 -0.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5100 -2.4730 0.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9380 -2.8330 -3.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4760 -7.9130 -3.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1630 -8.0950 -3.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1740 -6.7490 -4.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6470 -5.5110 3.8790 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0460 -6.2800 3.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1840 -4.5890 4.3020 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