PUBCHEM-ZINC03703025 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 49 0 0 1 0 0 0 0 0999 V2000 -0.0130 1.0860 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0160 1.0910 2.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8220 3.0240 1.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7480 3.4550 0.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0680 2.9670 0.3230 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0210 3.2650 -0.6010 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6940 4.0100 -1.7200 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6620 4.3180 -2.6660 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9560 3.8750 -2.4920 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2890 3.1290 -1.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3270 2.8170 -0.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6570 2.0800 0.6670 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0170 1.6560 0.7770 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0360 4.1750 -3.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5970 5.3240 -4.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2570 5.1420 -3.8600 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.1720 6.1870 -3.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9240 4.6580 -4.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7490 5.2380 -4.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6550 4.6140 -4.6930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9430 3.5270 -5.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6780 3.2400 -5.3800 S 0 0 0 0 0 0 0 0 0 0 0 0 0.3220 2.4560 -6.3230 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0100 1.4630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5400 1.4470 -0.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9830 1.5250 2.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0610 0.0040 2.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5840 1.3960 3.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1620 3.4700 1.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2370 3.3560 2.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7690 4.5440 0.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3810 3.0480 -0.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6800 4.3550 -1.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3040 2.7860 -1.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1440 1.0780 1.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6690 2.5280 0.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2750 1.0360 -0.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2240 3.2880 -4.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9510 4.4560 -2.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2970 5.4230 -5.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5720 6.2530 -3.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6580 6.1260 -3.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3540 4.9790 -4.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7000 1.5600 1.2170 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2540 5.0220 -4.9280 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2270 4.1040 -5.3470 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 46 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 46 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 46 47 1 0 0 0 0 M END