CHEMSTAR-ZINC04525312 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 54 0 0 0 0 0 0 0 0999 V2000 0.4360 0.6770 2.2770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3010 -0.4780 1.4970 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3780 -0.8920 0.7120 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5030 -0.2080 0.7040 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6600 0.8840 1.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6400 1.3600 2.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8860 2.9270 3.2630 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.9610 -1.2470 1.5060 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8930 -0.8780 2.1930 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0790 -2.3570 0.7500 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2300 -3.0580 0.7580 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5430 -2.5380 1.7270 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.3480 -4.1680 0.0030 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6000 -4.9300 0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3250 -6.3560 0.4940 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8740 -6.4640 0.9660 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1910 -7.6310 0.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0980 -7.1380 -0.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0900 -7.5240 -1.8930 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3440 -6.2790 -2.7450 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7640 -6.1420 -3.7910 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3820 -4.7450 -3.7000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8990 -4.8670 -3.5460 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3530 -4.0700 -2.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1800 -4.9740 -1.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3780 1.0280 2.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2880 -1.7810 0.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6000 1.4140 1.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3360 -2.6520 0.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6050 -4.4630 -0.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3130 -4.4500 0.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9950 -6.5940 1.3210 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4950 -7.0560 -0.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3470 -5.5380 0.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8540 -6.6360 2.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9530 -8.4110 0.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8600 -8.0320 -0.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1630 -6.0540 -0.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9560 -7.5970 0.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8720 -8.2590 -2.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8790 -7.9500 -2.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3520 -5.3960 -2.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3070 -6.3720 -3.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3450 -6.2900 -4.7860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5330 -6.8920 -3.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9700 -4.2210 -2.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1520 -4.1860 -4.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3870 -4.4730 -4.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1680 -5.9150 -3.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4800 -3.7050 -1.7810 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9620 -3.2250 -2.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1490 -5.9970 -1.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2120 -4.6250 -1.3840 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 26 1 0 0 0 0 2 3 2 0 0 0 0 2 8 1 0 0 0 0 3 4 1 0 0 0 0 3 27 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 5 28 1 0 0 0 0 6 7 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 29 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 30 1 0 0 0 0 14 15 1 0 0 0 0 14 25 1 0 0 0 0 14 31 1 0 0 0 0 15 16 1 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 16 17 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 17 18 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 18 19 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 19 20 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 20 21 1 0 0 0 0 20 42 1 0 0 0 0 20 43 1 0 0 0 0 21 22 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 22 23 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 23 24 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 24 25 1 0 0 0 0 24 50 1 0 0 0 0 24 51 1 0 0 0 0 25 52 1 0 0 0 0 25 53 1 0 0 0 0 M END