IBS-ZINC04486580 MOE2007 3D CORINA 3.40 0006 02.08.2006 43 45 0 0 0 0 0 0 0 0999 V2000 0.1220 1.4990 0.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0290 0.1100 0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0510 -0.7060 -0.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2910 -0.1060 -0.5740 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4470 1.2820 -0.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3620 2.1000 -0.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5190 3.5930 -0.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2500 5.6270 1.3970 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1790 6.1000 2.8480 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3680 5.7450 3.5600 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5450 4.3250 3.6000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6850 3.7470 2.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9760 -2.1130 -0.4260 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1440 -2.9040 -0.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2830 -2.5200 0.0130 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0920 -4.3650 -0.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9030 -5.1620 -0.9040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7180 -6.5420 -1.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4560 -7.1210 -0.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4440 -6.3350 0.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2610 -4.9540 0.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7070 -8.9890 -0.6820 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.7500 2.0990 0.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0120 -0.3030 0.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1550 -0.7090 -0.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4260 1.7110 -0.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4640 3.9360 -0.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7030 4.0710 -0.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3180 5.8430 0.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1010 6.0760 0.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0890 7.1910 2.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3060 5.6810 3.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4530 4.1200 4.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7030 3.8690 4.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5550 4.1680 1.6750 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7530 2.6560 2.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8360 -2.5800 -0.6890 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8250 -4.7150 -1.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4950 -7.1500 -1.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3530 -6.7880 0.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0260 -4.3650 0.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4610 4.1200 1.3650 N 0 3 0 0 0 0 0 0 0 0 0 0 0.6440 3.6810 1.8100 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 23 1 0 0 0 0 2 3 2 0 0 0 0 2 24 1 0 0 0 0 3 4 1 0 0 0 0 3 13 1 0 0 0 0 4 5 2 0 0 0 0 4 25 1 0 0 0 0 5 6 1 0 0 0 0 5 26 1 0 0 0 0 6 7 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 7 42 1 0 0 0 0 8 9 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 8 42 1 0 0 0 0 9 10 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 12 42 1 0 0 0 0 13 14 1 0 0 0 0 13 37 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 38 1 0 0 0 0 18 19 1 0 0 0 0 18 39 1 0 0 0 0 19 20 2 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 40 1 0 0 0 0 21 41 1 0 0 0 0 42 43 1 0 0 0 0 M CHG 1 42 1 M END