IBS-ZINC04844113 MOE2007 3D CORINA 3.40 0006 02.08.2006 28 28 0 0 0 0 0 0 0 0999 V2000 0.0150 -0.2440 1.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6190 -0.1310 -0.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7730 0.5270 -0.4570 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4980 0.6730 -1.7190 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2650 0.1950 -2.8170 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1510 -0.7930 -1.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9120 -0.1620 -2.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1160 1.2840 -2.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5230 2.0010 -3.3610 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7070 3.3810 -3.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4930 4.0450 -2.5240 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0960 3.3420 -1.4820 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9090 1.9610 -1.3800 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7430 5.9150 -2.6620 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.0460 -2.3520 -1.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8990 -2.9420 -2.0770 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.0020 0.1630 1.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0280 -1.2870 1.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5950 0.3080 1.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2630 0.9890 0.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4310 -0.7400 -2.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0970 1.4840 -4.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2340 3.9220 -4.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7120 3.8520 -0.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3850 1.4140 -0.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5670 1.4740 -1.5230 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9970 1.5090 -2.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 -2.8650 -0.6350 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 6 1 0 0 0 0 3 4 1 0 0 0 0 3 20 1 0 0 0 0 4 5 2 0 0 0 0 4 26 1 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 21 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 22 1 0 0 0 0 10 11 1 0 0 0 0 10 23 1 0 0 0 0 11 12 2 0 0 0 0 11 14 1 0 0 0 0 12 13 1 0 0 0 0 12 24 1 0 0 0 0 13 25 1 0 0 0 0 15 16 1 0 0 0 0 15 28 2 0 0 0 0 26 27 1 0 0 0 0 M CHG 1 16 -1 M END