MDPI-ZINC04266029 MOE2007 3D CORINA 3.40 0006 02.08.2006 22 23 0 0 0 0 0 0 0 0999 V2000 0.0650 1.2850 0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0240 -0.0570 -0.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1910 -0.7680 -0.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4130 -0.1000 -0.2890 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5100 1.3290 -0.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2820 2.0030 0.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2970 3.3680 0.6040 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 4.0910 0.7250 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6970 3.4940 0.3110 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6860 2.1600 -0.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1800 1.6020 -1.2510 Br 0 0 0 0 0 0 0 0 0 0 0 0 5.3460 4.4850 0.3860 Br 0 0 0 0 0 0 0 0 0 0 0 0 2.4950 5.8930 1.3940 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.3700 4.2360 1.0600 Br 0 0 0 0 0 0 0 0 0 0 0 0 3.8090 -1.2450 0.0620 S 0 0 0 0 0 0 0 0 0 0 0 0 4.3690 -1.4580 -1.2680 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6200 -0.5010 1.0190 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1960 -0.6480 -0.4810 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9020 1.7640 0.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1750 -1.8420 -0.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0590 -1.5910 -0.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1390 -2.4100 0.6380 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 1 19 1 0 0 0 0 2 3 1 0 0 0 0 2 18 1 0 0 0 0 3 4 2 0 0 0 0 3 20 1 0 0 0 0 4 5 1 0 0 0 0 4 15 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 7 8 1 0 0 0 0 7 14 1 0 0 0 0 8 9 2 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 15 16 2 0 0 0 0 15 17 2 0 0 0 0 15 22 1 0 0 0 0 18 21 1 0 0 0 0 M CHG 1 22 -1 M END