MDPI-ZINC03844646 MOE2007 3D CORINA 3.40 0006 02.08.2006 28 29 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.3780 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 1.2080 -0.6790 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3960 0.0280 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3770 1.4110 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1710 2.0860 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7110 -0.7070 -0.0370 C 0 0 3 0 0 0 0 0 0 0 0 0 3.5700 -1.6950 -0.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2230 -0.8500 1.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1210 0.0700 1.8800 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5910 -0.0600 3.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1640 -1.1120 3.9650 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2670 -2.0360 3.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7890 -1.9050 2.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8780 -2.8330 1.6590 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8110 -1.2860 5.7340 Br 0 0 0 0 0 0 0 0 0 0 0 0 4.6580 0.0270 -0.8150 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9590 1.9050 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5570 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2230 -1.7590 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3050 1.9630 -0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1560 3.1650 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4560 0.8910 1.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2920 0.6600 3.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9350 -2.8580 4.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5480 -2.7430 0.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5750 -3.5690 2.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8340 0.9180 -0.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 18 1 0 0 0 0 2 3 2 0 0 0 0 2 19 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 7 1 0 0 0 0 5 6 1 0 0 0 0 5 21 1 0 0 0 0 6 22 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 17 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 23 1 0 0 0 0 11 12 1 0 0 0 0 11 24 1 0 0 0 0 12 13 2 0 0 0 0 12 16 1 0 0 0 0 13 14 1 0 0 0 0 13 25 1 0 0 0 0 14 15 1 0 0 0 0 15 26 1 0 0 0 0 15 27 1 0 0 0 0 17 28 1 0 0 0 0 M END