MDPI-ZINC03845900 MOE2007 3D CORINA 3.40 0006 02.08.2006 30 30 0 0 1 0 0 0 0 0999 V2000 -0.0100 1.5240 0.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0080 -0.0050 0.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7940 -0.5580 1.2590 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7970 0.1630 2.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 -1.8340 1.6660 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4610 -1.4180 1.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4260 -0.5520 0.1730 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.7660 -1.4050 -1.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4040 0.5880 0.2970 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0140 0.7520 1.3270 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2260 -0.9090 0.8500 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1990 -1.6100 2.4070 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.6440 -0.4850 -1.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0130 1.8980 0.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4790 1.9080 -0.8110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5740 1.8570 0.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2800 -2.6710 1.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1980 -2.0800 2.7120 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0860 -2.2980 1.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8210 -0.8350 2.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0680 -2.2400 -1.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7820 -1.7880 -0.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6900 -0.7960 -1.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2040 -1.6640 0.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7270 -0.0140 0.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6630 -0.1030 -1.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6630 -1.5750 -1.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0610 -0.1200 -2.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5980 1.4210 -0.7380 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2360 2.1370 -0.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 14 1 0 0 0 0 1 15 1 0 0 0 0 1 16 1 0 0 0 0 2 3 1 0 0 0 0 2 7 1 0 0 0 0 2 13 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 11 1 0 0 0 0 5 6 1 0 0 0 0 5 17 1 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 6 20 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 21 1 0 0 0 0 8 22 1 0 0 0 0 8 23 1 0 0 0 0 9 10 2 0 0 0 0 9 29 1 0 0 0 0 11 12 1 0 0 0 0 11 24 1 0 0 0 0 11 25 1 0 0 0 0 13 26 1 0 0 0 0 13 27 1 0 0 0 0 13 28 1 0 0 0 0 29 30 1 0 0 0 0 M END