PUBCHEM-ZINC04877270 MOE2007 3D CORINA 3.40 0006 02.08.2006 43 44 0 0 1 0 0 0 0 0999 V2000 -0.2710 1.8090 0.5090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1660 0.3100 0.3870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9190 -0.2190 0.3580 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2790 -0.4360 0.3100 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1030 -1.8730 0.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4720 -2.5500 0.1180 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.0650 -2.1170 -0.6870 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3090 -4.0720 -0.0920 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.4320 -4.3270 -1.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4440 -4.6920 0.7520 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.0340 -5.3320 1.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1600 -3.4720 1.3730 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.4810 -3.6970 2.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1660 -2.4220 1.3780 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3090 -3.0820 0.5510 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.3180 -2.1420 -0.4190 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5190 -2.0760 -0.9260 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.3110 -2.9620 -0.3050 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5710 -3.6060 0.6190 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1650 -4.9690 1.7880 Br 0 0 0 0 0 0 0 0 0 0 0 0 -8.7450 -3.1960 -0.5890 N 0 3 0 0 0 0 0 0 0 0 0 0 -9.3070 -2.5530 -1.4570 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.3630 -4.0320 0.0460 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.3550 -5.4430 -0.0940 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9770 -6.4940 0.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7680 -6.7770 1.6190 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9370 -7.3210 -0.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0130 -4.5160 0.3890 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0050 -4.5300 -0.4980 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2000 -4.1830 -1.6390 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3680 -4.9790 -0.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7290 2.2400 0.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7960 2.2080 -0.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8210 2.0620 1.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5360 -2.0970 -0.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5610 -2.2440 1.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4730 -1.5430 -0.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4120 -7.7490 -1.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3400 -8.1240 0.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7520 -6.6890 -0.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3500 -5.2510 0.9850 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6690 -5.8430 -0.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0800 -4.1670 -0.2240 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 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 35 1 0 0 0 0 5 36 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 14 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 28 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 24 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 15 16 1 0 0 0 0 15 19 1 0 0 0 0 16 17 2 0 0 0 0 16 37 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 38 1 0 0 0 0 27 39 1 0 0 0 0 27 40 1 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 31 41 1 0 0 0 0 31 42 1 0 0 0 0 31 43 1 0 0 0 0 M CHG 1 21 1 M CHG 1 23 -1 M END