MDPI-ZINC04293427 MOE2007 3D CORINA 3.40 0006 02.08.2006 30 33 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3820 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 1.1980 -0.6910 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4040 0.0040 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3820 1.4070 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1660 2.0900 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7850 1.8610 -0.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1900 3.0090 -0.0200 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5940 0.6230 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9690 0.5480 -0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7780 -0.6900 -0.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3730 -1.8380 -0.0650 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1800 -0.2370 -0.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3970 -0.9210 -0.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5800 -0.2140 -0.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5620 1.1740 -0.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3650 1.8620 -0.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1590 1.1670 -0.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8460 1.6120 -0.0580 N 0 0 0 0 0 0 0 0 0 0 0 0 12.1920 2.1320 -0.1030 Br 0 0 0 0 0 0 0 0 0 0 0 0 3.7170 -0.4420 -0.0340 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9600 1.9080 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9290 -0.5510 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1980 -1.7710 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 3.1700 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4120 -2.0010 -0.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5230 -0.7400 -0.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3640 2.9420 -0.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5810 2.5450 -0.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9820 -1.3740 -0.0400 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 22 1 0 0 0 0 2 3 2 0 0 0 0 2 23 1 0 0 0 0 3 4 1 0 0 0 0 3 24 1 0 0 0 0 4 5 2 0 0 0 0 4 21 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 25 1 0 0 0 0 7 8 2 0 0 0 0 7 9 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 26 1 0 0 0 0 15 16 1 0 0 0 0 15 27 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 28 1 0 0 0 0 18 19 1 0 0 0 0 19 29 1 0 0 0 0 21 30 1 0 0 0 0 M END