MDPI-ZINC03845156 MOE2007 3D CORINA 3.40 0006 02.08.2006 23 24 0 0 0 0 0 0 0 0999 V2000 -0.0160 1.3560 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2070 -0.7060 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4000 -0.0490 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4210 1.3560 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1960 2.0690 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2150 3.4730 0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4110 4.1320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6180 3.4270 -0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6340 2.0670 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1670 1.2000 -0.0390 S 0 0 0 0 0 0 0 0 0 0 0 0 5.6040 1.1290 1.3110 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9690 0.0520 -0.8530 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4280 5.4910 0.0060 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1850 -2.5960 -0.0230 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.9570 1.8860 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9300 -0.5490 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3260 -0.6050 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2890 4.0290 0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5520 3.9700 -0.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4420 5.8800 0.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1720 2.0770 -0.7710 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0560 1.6910 -0.8380 H 0 0 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 16 1 0 0 0 0 2 3 1 0 0 0 0 2 17 1 0 0 0 0 3 4 2 0 0 0 0 3 15 1 0 0 0 0 4 5 1 0 0 0 0 4 18 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 19 1 0 0 0 0 8 9 2 0 0 0 0 8 14 1 0 0 0 0 9 10 1 0 0 0 0 9 20 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 2 0 0 0 0 11 22 1 0 0 0 0 14 21 1 0 0 0 0 22 23 1 0 0 0 0 M END