PUBCHEM-ZINC01142162 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 54 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 -0.7020 1.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -2.0840 1.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -2.7680 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -2.0710 -1.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.6890 -1.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0610 -4.2750 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3130 -4.7830 -0.0100 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0520 -4.9270 -1.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7190 -6.2550 -1.8960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9420 -7.0080 -1.3480 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2860 -6.6070 -3.0680 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9620 -7.8980 -3.6790 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7220 -8.0460 -4.9720 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1760 -7.6110 -6.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9010 -7.7630 -7.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0990 -8.3140 -7.3180 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6500 -8.7400 -6.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9810 -8.6260 -4.9940 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0320 -5.1950 1.4240 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.9540 -6.2350 1.1270 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9830 -5.3340 2.3730 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9920 -3.8120 1.9430 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3120 -3.7010 1.5490 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0660 -2.6160 1.9560 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4990 -1.6420 2.7570 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1780 -1.7530 3.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4260 -2.8410 2.7480 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5290 -0.1570 3.3140 Br 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 -0.1670 2.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 -2.6290 2.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 -2.6060 -2.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0260 -0.1440 -2.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5700 -4.6260 -0.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5890 -4.6360 0.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1220 -4.8770 -1.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7710 -4.1220 -1.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9070 -6.0050 -3.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8920 -7.9480 -3.8790 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2430 -8.7030 -2.9990 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1950 -7.1580 -6.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4830 -7.4260 -8.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6330 -9.1860 -6.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4350 -8.9800 -4.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7550 -4.4610 0.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0980 -2.5290 1.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7340 -0.9920 3.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3960 -2.9300 3.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 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 34 1 0 0 0 0 4 5 1 0 0 0 0 4 35 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 36 1 0 0 0 0 7 37 1 0 0 0 0 8 9 1 0 0 0 0 8 38 1 0 0 0 0 8 39 1 0 0 0 0 9 10 1 0 0 0 0 9 21 1 0 0 0 0 10 11 1 0 0 0 0 10 40 1 0 0 0 0 10 41 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 42 1 0 0 0 0 14 15 1 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 45 1 0 0 0 0 17 18 1 0 0 0 0 17 46 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 19 47 1 0 0 0 0 20 48 1 0 0 0 0 21 22 2 0 0 0 0 21 23 2 0 0 0 0 21 24 1 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 25 49 1 0 0 0 0 26 27 1 0 0 0 0 26 50 1 0 0 0 0 27 28 2 0 0 0 0 27 30 1 0 0 0 0 28 29 1 0 0 0 0 28 51 1 0 0 0 0 29 52 1 0 0 0 0 M END