CHEMDIV-ZINC00227107 MOE2007 3D CORINA 3.40 0006 02.08.2006 28 28 0 0 1 0 0 0 0 0999 V2000 0.0990 1.4340 -0.6410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0500 0.0590 -0.2850 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1870 -0.5260 -0.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4000 0.1470 -0.3650 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6190 -0.5330 -0.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6560 -1.9010 0.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4410 -2.5770 0.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2230 -1.8960 0.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3740 -2.8950 0.3820 Br 0 0 0 0 0 0 0 0 0 0 0 0 -4.9940 -2.6220 0.1710 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.8050 -1.9130 -0.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1960 -3.1320 1.6080 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6050 -3.6260 1.8950 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3430 -3.1020 2.7240 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9710 -4.7320 1.1880 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.8610 -5.1840 1.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3130 -5.1020 0.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0800 -3.6980 -0.9410 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0290 -3.2690 -2.1280 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1520 1.7270 -0.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3440 1.6040 -1.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3790 2.0560 0.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4390 1.2050 -0.6040 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5460 0.0150 -0.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4480 -3.6430 0.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5030 -3.9500 1.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9860 -2.3270 2.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2510 -4.8900 -0.5320 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 1 22 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 23 1 0 0 0 0 5 6 1 0 0 0 0 5 24 1 0 0 0 0 6 7 2 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 25 1 0 0 0 0 8 9 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 18 1 0 0 0 0 12 13 1 0 0 0 0 12 26 1 0 0 0 0 12 27 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 18 19 2 0 0 0 0 18 28 1 0 0 0 0 M CHG 1 28 -1 M END