PUBCHEM-ZINC03741439 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 50 0 0 0 0 0 0 0 0999 V2000 0.2830 1.4410 0.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1650 0.0580 -0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3230 -0.7500 -0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5600 -2.1580 -0.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9330 -2.3600 -0.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5050 -1.1280 0.1470 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4950 -0.9680 0.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5570 -0.1350 0.1790 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6900 1.2480 0.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5310 2.0280 0.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3720 2.0730 0.6250 Br 0 0 0 0 0 0 0 0 0 0 0 0 3.7520 -3.5690 -0.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8310 -3.6230 -1.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6340 -4.7640 -1.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3670 -5.8580 -0.3230 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2750 -5.8280 0.5470 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4830 -4.6820 0.6400 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9260 -6.8850 1.3490 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6010 -8.0880 0.9650 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0710 -7.8170 0.6910 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2140 -6.9310 -0.4250 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5040 -3.1880 -0.4370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3250 -3.4480 -1.9340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7730 -4.4790 -2.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9440 -4.7290 -3.6840 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6100 2.0620 0.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8160 -0.3830 -0.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5930 3.1050 0.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0580 -2.7770 -1.7090 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4750 -4.7910 -1.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6630 -4.6630 1.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4950 -8.8050 1.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0980 -8.5020 0.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5680 -7.3700 1.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5890 -8.7490 0.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7490 -4.1250 0.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4480 -2.8550 -0.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0760 -2.5100 -2.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2700 -3.8010 -2.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5230 -5.4180 -1.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7190 -4.1240 -1.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2450 -3.8240 -4.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0370 -5.1410 -4.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0190 -5.7270 -3.8860 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.1520 -5.9250 -4.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9210 -5.3960 -3.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8040 -6.6210 -3.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 10 2 0 0 0 0 1 26 1 0 0 0 0 2 3 2 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 8 1 0 0 0 0 4 5 2 0 0 0 0 4 22 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 10 28 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 29 1 0 0 0 0 14 15 1 0 0 0 0 14 30 1 0 0 0 0 15 16 2 0 0 0 0 15 21 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 17 31 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 32 1 0 0 0 0 19 33 1 0 0 0 0 20 21 1 0 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 22 23 1 0 0 0 0 22 36 1 0 0 0 0 22 37 1 0 0 0 0 23 24 1 0 0 0 0 23 38 1 0 0 0 0 23 39 1 0 0 0 0 24 25 1 0 0 0 0 24 40 1 0 0 0 0 24 41 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 44 45 1 0 0 0 0 44 46 1 0 0 0 0 44 47 1 0 0 0 0 M CHG 1 44 1 M END