PUBCHEM-ZINC02157434 MOE2007 3D CORINA 3.40 0006 02.08.2006 58 60 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.5030 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0230 -0.7010 1.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -2.0840 1.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0400 -2.7720 -0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -2.0750 -1.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.6880 -1.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0170 -2.7500 -2.3850 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -1.9670 -3.5800 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0040 -2.8800 -4.7790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0150 -4.0830 -4.6250 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0230 -2.3600 -6.0220 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0220 -3.2480 -7.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4420 -3.5730 -7.5740 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1130 -2.7690 -8.4760 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4160 -3.0670 -8.8310 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0470 -4.1690 -8.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3740 -4.9730 -7.3800 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0700 -4.6770 -7.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8290 -4.5760 -8.7670 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.0450 -0.9790 -6.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1450 -0.2700 -6.2990 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1220 1.0990 -6.4740 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0850 1.7760 -6.5520 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2760 1.0890 -6.4550 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2680 -0.2980 -6.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5380 -1.0390 -6.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5280 -2.2450 -6.0290 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0610 -4.2790 -0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3250 -4.7730 0.6980 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1740 -4.8080 0.7220 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 -0.1650 2.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0580 -2.6260 2.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0260 -0.1430 -2.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9050 -1.3510 -3.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8750 -1.3250 -3.6110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4770 -2.7530 -8.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5080 -4.1690 -6.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6200 -1.9090 -8.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9400 -2.4390 -9.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8670 -5.8330 -6.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5440 -5.3070 -6.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0900 -0.7900 -6.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0500 1.6460 -6.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0930 2.8470 -6.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2140 1.6210 -6.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0560 -4.6400 -1.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3300 -4.4120 1.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3400 -5.8630 0.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2040 -4.3960 0.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0740 -4.4560 0.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1580 -5.8980 0.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1680 -4.4480 1.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7110 -0.3810 -6.2650 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5180 -0.9100 -6.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 35 1 0 0 0 0 4 5 1 0 0 0 0 4 36 1 0 0 0 0 5 6 2 0 0 0 0 5 29 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 37 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 38 1 0 0 0 0 9 39 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 21 1 0 0 0 0 13 14 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 42 1 0 0 0 0 16 17 1 0 0 0 0 16 43 1 0 0 0 0 17 18 2 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 18 44 1 0 0 0 0 19 45 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 46 1 0 0 0 0 23 24 1 0 0 0 0 23 47 1 0 0 0 0 24 25 2 0 0 0 0 24 48 1 0 0 0 0 25 26 1 0 0 0 0 25 49 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 27 57 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 29 50 1 0 0 0 0 30 51 1 0 0 0 0 30 52 1 0 0 0 0 30 53 1 0 0 0 0 31 54 1 0 0 0 0 31 55 1 0 0 0 0 31 56 1 0 0 0 0 57 58 1 0 0 0 0 M END