CHEMSTAR-ZINC03159904 MOE2007 3D CORINA 3.40 0006 02.08.2006 22 22 0 0 0 0 0 0 0 0999 V2000 -0.0620 1.4650 -0.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1840 -0.0090 0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5550 -0.5680 1.0690 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0090 -0.6000 -1.2020 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0380 -1.9960 -1.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1810 -2.6980 -1.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1340 -4.1070 -1.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0840 -4.7910 -1.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2870 -4.0940 -1.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2560 -2.6950 -1.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5260 -1.9880 -1.2520 N 0 3 0 0 0 0 0 0 0 0 0 0 3.4680 -2.4490 -0.5910 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6010 -0.9980 -1.9930 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0970 -6.6820 -1.0890 Br 0 0 0 0 0 0 0 0 0 0 0 0 -2.5280 -2.0110 -1.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5870 -0.8360 -0.6060 O 0 5 0 0 0 0 0 0 0 0 0 0 0.7610 1.9330 -0.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0110 1.6490 -0.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1270 1.9020 0.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0710 -4.6650 -1.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2310 -4.6340 -1.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5110 -2.6810 -1.5290 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 17 1 0 0 0 0 1 18 1 0 0 0 0 1 19 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 10 2 0 0 0 0 6 7 2 0 0 0 0 6 15 1 0 0 0 0 7 8 1 0 0 0 0 7 20 1 0 0 0 0 8 9 2 0 0 0 0 8 14 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 11 12 2 0 0 0 0 11 13 1 0 0 0 0 15 16 1 0 0 0 0 15 22 2 0 0 0 0 M CHG 1 11 1 M CHG 1 13 -1 M CHG 1 16 -1 M END