MDPI-ZINC04268037 MOE2007 3D CORINA 3.40 0006 02.08.2006 30 33 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3740 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 1.2230 -0.6810 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4290 0.0380 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3880 1.4290 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1740 2.0860 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1330 3.9770 0.0130 Br 0 0 0 0 0 0 0 0 0 0 0 0 3.4970 -0.8460 -0.0350 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0510 -2.1520 -0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8370 -3.2820 -0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3160 -3.3200 -0.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0800 -2.3730 -0.0660 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6650 -4.7520 -0.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8860 -5.4290 -0.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9050 -6.8070 -0.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7150 -7.5200 -0.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5010 -6.8620 -0.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4590 -5.4710 -0.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3910 -4.5880 -0.0470 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7550 -9.4100 -0.0930 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.5730 -2.1130 -0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8090 -3.0600 -0.0210 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9600 1.9000 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9250 -0.5590 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3070 1.9950 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4310 -0.5820 -0.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8130 -4.8750 -0.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8480 -7.3330 -0.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5810 -7.4280 -0.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4580 -4.8510 -0.0350 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 23 1 0 0 0 0 2 3 2 0 0 0 0 2 24 1 0 0 0 0 3 4 1 0 0 0 0 3 21 1 0 0 0 0 4 5 2 0 0 0 0 4 8 1 0 0 0 0 5 6 1 0 0 0 0 5 25 1 0 0 0 0 6 7 1 0 0 0 0 8 9 1 0 0 0 0 8 26 1 0 0 0 0 9 10 2 0 0 0 0 9 21 1 0 0 0 0 10 11 1 0 0 0 0 10 19 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 27 1 0 0 0 0 15 16 1 0 0 0 0 15 28 1 0 0 0 0 16 17 2 0 0 0 0 16 20 1 0 0 0 0 17 18 1 0 0 0 0 17 29 1 0 0 0 0 18 19 1 0 0 0 0 19 30 1 0 0 0 0 21 22 2 0 0 0 0 M END