MDPI-ZINC03844832 MOE2007 3D CORINA 3.40 0006 02.08.2006 24 25 0 0 0 0 0 0 0 0999 V2000 -0.0400 1.6080 -0.5150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1000 0.2290 -0.6410 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0470 -0.5480 -0.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2830 0.0610 -0.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4570 -0.6950 0.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -0.0970 0.4930 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7350 1.2810 0.6240 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5940 2.0610 0.4070 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3490 1.4750 0.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1650 2.2210 -0.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8180 3.9440 0.6200 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.9090 -2.0020 -0.5710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4240 -2.7590 0.4210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3150 -4.2790 0.2970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7060 -4.7870 -0.7900 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.9300 2.2100 -0.6790 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0430 -0.2450 -0.9030 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4380 -1.7810 0.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5470 -0.7090 0.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6810 1.7390 0.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1610 3.3040 -0.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2420 -2.4380 -1.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1050 -2.3150 1.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1590 -4.8400 1.3260 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 10 2 0 0 0 0 1 16 1 0 0 0 0 2 3 2 0 0 0 0 2 17 1 0 0 0 0 3 4 1 0 0 0 0 3 12 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 18 1 0 0 0 0 6 7 1 0 0 0 0 6 19 1 0 0 0 0 7 8 2 0 0 0 0 7 20 1 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 10 1 0 0 0 0 10 21 1 0 0 0 0 12 13 2 0 0 0 0 12 22 1 0 0 0 0 13 14 1 0 0 0 0 13 23 1 0 0 0 0 14 15 1 0 0 0 0 14 24 2 0 0 0 0 M CHG 1 15 -1 M END