PUBCHEM-ZINC02858785 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 47 0 0 0 0 0 0 0 0999 V2000 -0.6770 -0.4700 0.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1920 -0.1920 1.6410 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3240 -2.2630 1.7750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3750 -3.0030 2.6980 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3140 -0.0220 1.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5170 1.4030 1.6870 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7300 2.4180 0.7400 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9640 3.7270 1.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9980 4.0390 2.5160 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7960 3.0370 3.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5570 1.7220 3.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3240 0.6660 3.9030 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4160 0.8950 5.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0920 -0.4250 5.9620 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0750 -1.4220 6.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7700 -2.6690 6.6070 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4690 -2.9210 7.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4770 -1.9370 6.9670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7920 -0.6940 6.4160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1370 -4.2350 7.6120 N 0 3 0 0 0 0 0 0 0 0 0 0 2.0550 -5.0570 7.7370 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0450 -4.4490 7.9160 O 0 5 0 0 0 0 0 0 0 0 0 0 3.2430 5.0870 -0.1240 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.7850 -1.5410 0.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6620 -0.0130 0.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0080 -0.0480 -0.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1460 0.8860 1.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8770 -0.6150 2.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3550 -2.5110 2.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1680 -2.5250 0.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6680 -2.8840 2.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5980 -4.0740 2.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4730 -2.6560 3.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1260 -0.0820 0.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2390 -0.5730 1.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7190 2.1890 -0.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1820 5.0590 2.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8300 3.3200 4.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4280 1.2120 5.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6930 1.6560 5.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0860 -1.2330 5.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5510 -3.4240 6.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5380 -2.1190 7.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0140 0.0640 6.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1810 -0.7650 1.9190 N 0 3 0 0 0 0 0 0 0 0 0 0 1.3660 -0.5590 2.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 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 2 27 1 0 0 0 0 2 28 1 0 0 0 0 2 45 1 0 0 0 0 3 4 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 3 45 1 0 0 0 0 4 31 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 5 34 1 0 0 0 0 5 35 1 0 0 0 0 5 45 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 36 1 0 0 0 0 8 9 1 0 0 0 0 8 23 1 0 0 0 0 9 10 2 0 0 0 0 9 37 1 0 0 0 0 10 11 1 0 0 0 0 10 38 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 39 1 0 0 0 0 13 40 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 41 1 0 0 0 0 16 17 1 0 0 0 0 16 42 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 43 1 0 0 0 0 19 44 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 45 46 1 0 0 0 0 M CHG 1 20 1 M CHG 1 22 -1 M CHG 1 45 1 M END