PUBCHEM-ZINC01158671 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 54 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5260 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 -1.3390 -0.4990 0.0120 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4980 -1.8490 0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3900 -2.6800 -0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5540 -4.0530 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8230 -4.6010 -0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9340 -3.7800 0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7780 -2.4010 0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9010 -1.5670 0.0420 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7160 -1.8110 1.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8300 -0.7620 1.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5720 -0.7730 0.0500 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.8100 -0.6710 -1.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6960 -1.7240 -1.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2240 -0.8980 0.0320 S 0 0 0 0 0 0 0 0 0 0 0 0 -8.5720 -1.4250 -1.2410 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.5930 -1.5160 1.2570 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.8710 0.7400 0.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5870 1.2360 -0.9880 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0950 2.5210 -0.9460 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8870 3.3100 0.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1710 2.8140 1.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6680 1.5270 1.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8920 0.9830 2.3770 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5810 5.0680 0.2290 Br 0 0 0 0 0 0 0 0 0 0 0 0 -10.8740 3.0620 -2.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6030 -2.2540 -0.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3120 -4.6980 -0.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9460 -5.6740 -0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9250 -4.2100 0.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1570 -2.8060 1.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0870 -1.7410 2.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5040 -1.0050 2.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3940 0.2240 1.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4710 -0.8540 -2.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3710 0.3240 -1.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0530 -1.5900 -2.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1370 -2.7200 -1.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7490 0.6200 -1.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0090 3.4290 2.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8340 1.2110 2.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2550 1.4430 3.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0280 -0.0970 2.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9320 2.8350 -1.9850 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7390 4.1420 -2.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5150 2.6000 -3.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 31 1 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 33 1 0 0 0 0 6 7 1 0 0 0 0 6 34 1 0 0 0 0 7 8 2 0 0 0 0 7 35 1 0 0 0 0 8 9 1 0 0 0 0 8 36 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 13 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 14 1 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 16 17 2 0 0 0 0 16 18 2 0 0 0 0 16 19 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 21 27 1 0 0 0 0 22 23 2 0 0 0 0 22 26 1 0 0 0 0 23 24 1 0 0 0 0 23 46 1 0 0 0 0 24 25 1 0 0 0 0 25 47 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 27 50 1 0 0 0 0 27 51 1 0 0 0 0 27 52 1 0 0 0 0 M END