PUBCHEM-ZINC03703025 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 51 0 0 1 0 0 0 0 0999 V2000 -1.7120 0.1930 1.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5310 1.4000 3.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5890 2.4550 1.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1020 3.1100 -0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2510 3.8980 0.3140 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2690 3.7320 -0.5900 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2340 4.4440 -1.7910 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2820 4.3240 -2.7210 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3930 3.5230 -2.3830 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4120 2.8130 -1.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3570 2.9200 -0.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2740 2.2690 0.9510 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4740 1.6620 1.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5620 3.3730 -3.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6660 4.5320 -4.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2440 5.1000 -4.0360 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.4470 6.1520 -3.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9160 5.0090 -4.7510 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9940 6.0170 -4.9830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8410 5.5520 -5.6880 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9520 4.2180 -5.9620 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3750 3.5090 -5.4100 S 0 0 0 0 0 0 0 0 0 0 0 0 0.3810 3.2370 -6.8870 Br 0 0 0 0 0 0 0 0 0 0 0 0 -2.5430 -0.3680 1.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7620 -0.3220 1.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8910 0.3430 0.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5630 0.9470 3.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3530 0.7720 3.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6140 2.3970 3.7680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3180 1.8650 1.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3950 3.2290 2.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3360 3.7860 -0.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3150 2.3540 -0.7970 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3830 5.0930 -1.9870 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2700 2.1800 -0.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2830 1.3050 2.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2950 2.3850 1.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7410 0.7950 0.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4420 2.4290 -3.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4990 3.3130 -2.7620 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4020 4.3250 -5.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9180 5.4790 -3.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1250 7.0430 -4.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0030 6.1720 -5.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6550 1.5360 1.8360 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.5700 1.9990 1.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3500 4.7130 -4.9840 N 0 3 0 0 0 0 0 0 0 0 0 0 -5.0730 3.8390 -5.4510 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4180 5.4200 -5.7280 H 0 0 0 0 0 0 0 0 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 45 1 0 0 0 0 2 27 1 0 0 0 0 2 28 1 0 0 0 0 2 29 1 0 0 0 0 2 45 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 3 45 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 4 33 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 34 1 0 0 0 0 8 9 1 0 0 0 0 8 16 1 0 0 0 0 9 10 2 0 0 0 0 9 14 1 0 0 0 0 10 11 1 0 0 0 0 10 35 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 15 47 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 47 1 0 0 0 0 18 19 2 0 0 0 0 18 22 1 0 0 0 0 19 20 1 0 0 0 0 19 43 1 0 0 0 0 20 21 2 0 0 0 0 20 44 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 45 46 1 0 0 0 0 47 48 1 0 0 0 0 47 49 1 0 0 0 0 M CHG 1 45 1 M CHG 1 47 1 M END