PUBCHEM-ZINC02597741 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 57 0 0 0 0 0 0 0 0999 V2000 0.5030 0.2160 1.4620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0170 -0.1540 0.1710 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2120 -0.7320 0.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7430 -1.1160 -1.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9890 -1.7030 -1.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7160 -1.9110 0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1790 -1.5250 1.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9300 -0.9430 1.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0560 -2.5420 -0.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2590 -2.1000 0.6580 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2640 -2.9760 0.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7430 -3.8820 -0.5440 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.3910 -3.6000 -0.7590 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.4500 -4.9420 -1.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8050 -5.8150 -1.9940 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5040 -6.8580 -2.5680 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8460 -7.0340 -2.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4910 -6.1650 -1.4200 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7960 -5.1240 -0.8380 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3710 -0.9490 1.5700 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3590 -0.1500 1.7350 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.4660 0.9460 2.6020 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4170 1.7740 2.7740 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3780 1.5700 2.1770 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5300 2.9390 3.6960 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5680 3.1420 4.2920 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4810 3.7680 3.8670 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5500 4.7960 4.8110 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3460 4.6530 5.9410 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4120 5.6710 6.8710 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6870 6.8340 6.6790 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8940 6.9800 5.5540 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8190 5.9630 4.6230 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7800 8.2260 7.9550 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.4910 0.6660 1.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1790 0.9360 1.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5680 -0.6700 2.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1800 -0.9540 -2.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4020 -2.0010 -2.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7400 -1.6840 2.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5120 -0.6470 2.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2860 -2.9420 0.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7570 -5.6780 -2.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0030 -7.5380 -3.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3900 -7.8500 -2.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5390 -6.3040 -1.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2990 -4.4490 -0.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2940 -0.7680 2.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2950 1.1080 3.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6780 3.6500 3.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9120 3.7460 6.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0300 5.5600 7.7490 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3290 7.8890 5.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1960 6.0750 3.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 38 1 0 0 0 0 5 6 1 0 0 0 0 5 39 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 40 1 0 0 0 0 8 41 1 0 0 0 0 9 10 1 0 0 0 0 9 13 2 0 0 0 0 10 11 2 0 0 0 0 10 20 1 0 0 0 0 11 12 1 0 0 0 0 11 42 1 0 0 0 0 12 13 1 0 0 0 0 12 14 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 43 1 0 0 0 0 16 17 1 0 0 0 0 16 44 1 0 0 0 0 17 18 2 0 0 0 0 17 45 1 0 0 0 0 18 19 1 0 0 0 0 18 46 1 0 0 0 0 19 47 1 0 0 0 0 20 21 2 0 0 0 0 20 48 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 49 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 27 50 1 0 0 0 0 28 29 1 0 0 0 0 28 33 2 0 0 0 0 29 30 2 0 0 0 0 29 51 1 0 0 0 0 30 31 1 0 0 0 0 30 52 1 0 0 0 0 31 32 2 0 0 0 0 31 34 1 0 0 0 0 32 33 1 0 0 0 0 32 53 1 0 0 0 0 33 54 1 0 0 0 0 M END